568
  Marvin  03121014323D          

 32 31  0  0  1  0            999 V2000
   -1.4134   -0.1423   -0.7486 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
M  END
>  <NSC>
568

>  <CAS_RN>
5332-88-7

$$$$
733
  Marvin  03121014323D          

 22 22  0  0  0  0            999 V2000
    0.3535    0.0909    0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7473   -0.5706    0.2060 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4070    1.4718   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7596    2.2817    0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7013    3.5010   -0.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5835    5.2877   -0.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
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 10 13  1  0  0  0  0
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 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
>  <NSC>
733

>  <CAS_RN>
5351-90-6

$$$$
831
  Marvin  03121014323D          

 56 55  0  0  0  0            999 V2000
   -0.2402    8.5763    0.0628 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5697   10.0030    0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740    8.1059    1.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4657    7.6044    0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9015    7.5040    0.5522 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5647    8.2021    2.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0999    6.1361   -0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4140   12.3069    0.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9587    6.8721    1.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1615   13.0421   -0.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7356    3.6568   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 47  1  0  0  0  0
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 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
M  END
>  <NSC>
831

>  <CAS_RN>
5394-84-3

$$$$
838
  Marvin  03121014323D          

 13 14  0  0  0  0            999 V2000
   -0.4008    1.2689   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0067   -0.0089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
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  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <NSC>
838

>  <CAS_RN>
274-87-3

$$$$
1063
  Marvin  03121014323D          

 59 62  0  0  0  0            999 V2000
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M  END
>  <NSC>
1063

>  <CAS_RN>
999-99-9

$$$$
1168
  Marvin  03121014323D          

 20 19  0  0  0  0            999 V2000
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M  END
>  <NSC>
1168

>  <CAS_RN>
601-79-6

$$$$
1286
  Marvin  03121014323D          

 35 36  0  0  1  0            999 V2000
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M  END
>  <NSC>
1286

>  <CAS_RN>
128-51-8

$$$$
1362
  Marvin  03121014323D          

 50 51  0  0  1  0            999 V2000
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 11 15  1  0  0  0  0
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 14 38  1  0  0  0  0
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 16 21  1  0  0  0  0
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 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
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 22 42  1  0  0  0  0
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 25 45  1  0  0  0  0
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 25 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
>  <NSC>
1362

>  <CAS_RN>
5348-95-8

$$$$
1371
  Marvin  03121014323D          

 35 36  0  0  1  0            999 V2000
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  1  2  2  0  0  0  0
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 17 35  1  0  0  0  0
M  END
>  <NSC>
1371

>  <CAS_RN>
5401-32-1

$$$$
1379
  Marvin  03121014323D          

 30 31  0  0  1  0            999 V2000
    0.5034    1.9160   -1.2333 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5665    1.3731   -2.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END
>  <NSC>
1379

>  <CAS_RN>
5349-06-4

$$$$
1486
  Marvin  03121014323D          

 28 28  0  0  0  0            999 V2000
    1.5054   -0.7205   -1.1013 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414   -2.1673   -1.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1137    0.2203    0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2682    1.4006   -2.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1175   -0.7048   -3.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9967    2.0842   -3.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2 13  1  0  0  0  0
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  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
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  5 17  1  0  0  0  0
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  7  9  1  0  0  0  0
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 10 26  1  0  0  0  0
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 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  END
>  <NSC>
1486

>  <CAS_RN>
2198-58-5

$$$$
1683
  Marvin  03121014323D          

 50 50  0  0  1  0            999 V2000
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    0.2691   -5.6043    0.4901 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7093   -3.6460    1.9251 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -1.8935   -2.6842    2.2761 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3162   -4.2671    3.1518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9234   -7.9699    0.0648 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3849   -6.4352   -1.7333 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9146   -3.4152    2.9653 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4459   -0.9328    0.3797 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -9.9483    2.8074 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0261    0.3067   -0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0676    0.3141   -1.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4689    1.5362    0.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6043    1.5311   -1.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0562    2.7528   -0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
1683

>  <CAS_RN>
5346-82-7

$$$$
1684
  Marvin  03121014323D          

 30 30  0  0  1  0            999 V2000
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M  END
>  <NSC>
1684

>  <CAS_RN>
6968-62-3

$$$$
1685
  Marvin  03121014323D          

 21 20  0  0  1  0            999 V2000
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 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
>  <NSC>
1685

>  <CAS_RN>
5346-83-8

$$$$
1686
  Marvin  03121014323D          

 71 72  0  0  1  0            999 V2000
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M  END
>  <NSC>
1686

>  <CAS_RN>
51450-24-9

$$$$
1687
  Marvin  03121014323D          

 34 34  0  0  1  0            999 V2000
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M  END
>  <NSC>
1687

>  <CAS_RN>
5346-84-9

$$$$
1697
  Marvin  03121014323D          

 31 32  0  0  1  0            999 V2000
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M  END
>  <NSC>
1697

>  <CAS_RN>
18549-40-1

$$$$
1698
  Marvin  03121014323D          

 46 49  0  0  0  0            999 V2000
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 31 46  1  0  0  0  0
M  END
>  <NSC>
1698

>  <CAS_RN>
87-03-6

$$$$
1702
  Marvin  03121014323D          

 24 26  0  0  0  0            999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
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 13 17  1  0  0  0  0
 13 22  1  0  0  0  0
 15 23  1  0  0  0  0
 17 24  1  0  0  0  0
M  END
>  <NSC>
1702

>  <CAS_RN>
131-09-9

$$$$
1704
  Marvin  03121014323D          

 23 24  0  0  0  0            999 V2000
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   -1.4370    1.1961    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9922   -2.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0987   -4.0564   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
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  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  7 18  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
>  <NSC>
1704

>  <CAS_RN>
92-40-0

$$$$
1759
  Marvin  03121014323D          

 27 29  0  0  0  0            999 V2000
    1.9365    0.7206   -0.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9765    3.5017   -0.4579 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
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 14 24  1  0  0  0  0
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 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
>  <NSC>
1759

>  <CAS_RN>
10386-43-3

$$$$
1760
  Marvin  03121014323D          

 36 38  0  0  0  0            999 V2000
   -0.2826   -1.5731    1.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7294   -1.4383    0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4863    0.8273    1.0477 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0053   -0.8450    0.8252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9534   -5.0141    1.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3945    1.7889    1.3094 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7076   -6.3969    1.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
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  2 23  1  0  0  0  0
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  5 25  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
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 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
>  <NSC>
1760

>  <CAS_RN>
5345-87-9

$$$$
1764
  Marvin  03121014323D          

 58 57  0  0  0  0            999 V2000
   -2.4234    6.8335   -1.5913 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9209    6.7180   -0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4963    6.9845   -2.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2169    6.4406    2.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9826    7.2585   -5.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0592    6.2908    3.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4153    7.3821   -6.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5941    6.1660    4.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4403    6.7709   -9.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3692    8.5321   -9.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6255    6.7812    7.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6970    5.0207    7.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8400    6.9397  -10.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7687    8.7002   -9.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6718    4.8445    8.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7431    6.6041    8.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0197    8.8102  -11.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0910    7.0505  -11.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3507    5.5087   10.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0513    6.5030   10.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1228    4.7378    9.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4015    8.1730  -13.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4790    7.2186  -12.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4076    8.9839  -12.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 13  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 14  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 15  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 16  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 17  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 18  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 19  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
M  END
>  <NSC>
1764

>  <CAS_RN>
2044-21-5

$$$$
1959
  Marvin  03121014323D          

 41 41  0  0  1  0            999 V2000
   -0.6158   -1.2499   -0.0467 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1342   -0.8569   -1.2363 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1760   -0.2637    0.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4741   -0.8090   -1.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3377    1.0191    0.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5019   -0.5715    0.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0210   -0.3247   -2.7446 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2704   -1.1433   -0.5427 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4717    1.9841    1.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3049    0.3899    1.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9218   -1.3956   -3.4483 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7427    0.8625   -2.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7953    1.6716    1.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5140   -1.0003   -4.8447 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1534   -2.5881   -3.6265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6645   -1.9319   -5.3641 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0543    0.3217   -4.8277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458   -3.3671   -5.8123 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6955   -2.0369   -4.3785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3966   -4.1528   -6.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1635   -3.3230   -6.7415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550   -2.0889   -0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5287   -0.5928   -1.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3002    1.2630    0.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8883   -1.4982    0.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2002   -0.0445   -3.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1001    2.9157    1.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2619    0.1563    1.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7520   -1.6284   -2.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8849    1.3406   -3.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3849    2.3725    2.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -0.9822   -5.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8942   -2.8694   -2.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1115   -1.4424   -6.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2747    0.9149   -4.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9230   -3.9394   -4.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9332   -1.1136   -4.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0396   -5.1359   -6.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7600   -3.6190   -7.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2266   -4.2966   -5.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4073   -2.9614   -6.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 22  1  0  0  0  0
  2  4  1  0  0  0  0
  2 23  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  2  0  0  0  0
  6 25  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 26  1  0  0  0  0
  9 13  2  0  0  0  0
  9 27  1  0  0  0  0
 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
>  <NSC>
1959

>  <CAS_RN>
5328-52-9

$$$$
1963
  Marvin  03121014323D          

 47 47  0  0  1  0            999 V2000
    0.7171   -7.1032   -1.0291 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4495   -8.4390   -1.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2066   -6.0359   -0.7434 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1986   -9.1963   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714   -9.0439   -2.1396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6033   -4.7474   -0.4170 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1747   -5.8168   -1.9457 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5853   -4.5224   -1.4473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3555   -3.5181   -0.3123 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0697   -6.9395   -2.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0100   -4.5117   -1.7924 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9309   -4.2635   -1.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3989   -2.1786   -0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1478   -3.3878   -1.5132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -7.3489   -3.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7131   -4.2781   -3.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7092   -3.9223   -0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5257   -4.2318   -2.4869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5136   -1.0755    0.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1406   -7.6208   -4.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9920   -7.5801   -2.9844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6888   -3.2202   -3.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1457    0.2341    0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1563    1.2972    0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0638    0.5588    0.2429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7898   -6.2945    0.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1909   -8.7927    0.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4120   -9.1214    0.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3012  -10.2521   -0.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0794   -4.9001    0.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5688   -5.7410   -2.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0174   -3.6575    0.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7316   -4.6441   -0.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414   -1.9837   -0.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0274   -2.2380    0.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7032   -4.3718   -0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334   -4.2701    0.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8212   -2.8395   -0.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4022   -8.6257   -4.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0554   -7.5585   -4.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4912   -6.8987   -5.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1386   -3.1518   -4.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2274   -2.2581   -2.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4810   -3.4269   -2.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1636    0.8866    0.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0028    2.0137   -0.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0624    1.8168    1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 30  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 32  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 33  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 19 23  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
M  END
>  <NSC>
1963

>  <CAS_RN>
5019-25-0

$$$$
1971
  Marvin  03121014323D          

 22 22  0  0  1  0            999 V2000
   -0.3751    0.9117    0.9409 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1253    0.4461   -0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867    0.0747    1.9531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0300    2.4048    1.2250 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2603   -0.9011   -0.6983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5026    2.9685    2.5993 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3816    2.5971    1.2344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3353    2.0832    3.3498 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7891    3.3082    3.3838 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8413    3.0785    2.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136    4.6608    3.8365 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0575    3.2769    2.6219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4633    0.7934    0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3013    1.0739   -1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    0.5103   -0.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1376   -0.8273    1.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    3.0204    0.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1102   -1.1051   -1.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0823    3.8812    2.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5193    2.5573    4.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9386    2.6337    4.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0589    4.7337    4.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 11 22  1  0  0  0  0
M  END
>  <NSC>
1971

>  <CAS_RN>
26301-79-1

$$$$
1974
  Marvin  03121014323D          

 23 23  0  0  1  0            999 V2000
   -1.4754    0.5046    0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7346   -0.5145   -0.6501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5804    1.0865   -0.9070 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4232    2.1914   -0.1965 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9674    1.6098   -2.1095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5697    3.2213    0.3072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4582    2.7998   -1.1818 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9081    2.1127   -3.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1343    3.8993   -0.5747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7766    3.2567   -2.4992 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7625    3.6629   -3.4466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9254    0.0693    0.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7772    1.2869    0.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0592   -0.7920    0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2435    0.2553   -1.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9545    1.7519    0.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1650    3.8405    0.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2135    2.0430   -1.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3412    2.4946   -3.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5440    1.3016   -3.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5564    3.5250    0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1314    4.1165   -2.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2552    3.9603   -4.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
>  <NSC>
1974

>  <CAS_RN>
999-99-9

$$$$
1975
  Marvin  03121014323D          

 23 23  0  0  1  0            999 V2000
   -0.7925    2.3170   -1.1469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5802    1.1113   -1.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5820    2.1372   -1.5492 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2763    3.5283   -1.5939 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2689    1.2665   -0.6208 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1140    4.1844   -0.3384 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7881    3.3703   -1.9277 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6511    1.0207   -0.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4647    4.6225   -1.8307 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4674    2.3385   -0.9870 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7994    2.0755   -1.4201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6053    1.3708   -0.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1999    0.4074   -0.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5962    0.6313   -2.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6020    1.7066   -2.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7951    4.1458   -2.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5219    5.0665   -0.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865    3.0264   -2.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0654    0.3663   -0.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7252    0.5019   -1.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0313    5.2037   -2.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5190    2.7520    0.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1489    1.4264   -0.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
>  <NSC>
1975

>  <CAS_RN>
5328-63-2

$$$$
2039
  Marvin  03121014323D          

 18 19  0  0  0  0            999 V2000
    0.8385   -0.5997    0.0031 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701    0.5172    0.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6820    0.5164    2.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1623    1.6895    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759    1.6975    2.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0740   -0.6015    2.8043 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1399    2.8557    0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0353    2.8623    2.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4911    1.6686    4.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910   -0.6492    4.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9012    0.4919    4.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7958   -0.5471   -0.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0778    1.6973   -0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4399    3.7026    0.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2588    3.7187    2.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2799    2.4983    4.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4904   -1.5140    4.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9881    0.4659    5.9452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4 13  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <NSC>
2039

>  <CAS_RN>
148-24-3

$$$$
2187
  Marvin  03121014323D          

 60 62  0  0  0  0            999 V2000
   -0.8328   -5.0840   -2.4382 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5305   -4.8496   -1.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8023   -5.9537   -3.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5289   -3.7061   -2.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126   -5.7992   -1.4743 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6779   -4.5126   -0.5586 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5452   -4.9069   -2.6123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3363   -7.3485   -3.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7610   -2.8985   -1.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9123   -4.1876    0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8043   -7.8080   -4.1469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0255   -8.1217   -2.8367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0780   -1.7291   -1.2643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5907   -3.3109   -0.6316 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8098   -4.0989    1.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2942   -9.1556   -4.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2490   -0.8795   -0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5689   -4.1563    2.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963   -3.9826    2.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5333   -9.3020   -4.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3412    0.2945   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5237   -4.1622    3.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -3.9959    3.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4874   -9.8235   -6.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7854   -8.9201   -4.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0608    0.1109   -0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8523    1.6139   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7148   -4.1021    4.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6648   -9.9642   -6.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9636   -9.0675   -5.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9287    1.2187   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0152    2.7203   -0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9037   -9.5866   -6.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4065    2.5233   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8106   -6.0131   -4.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1761   -5.4645   -4.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9297   -3.1307   -3.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5026   -3.8768   -3.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4973   -5.8999   -1.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2963   -3.2443   -0.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6247   -4.9805   -0.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5215   -9.8367   -4.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4914   -9.4161   -3.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2945   -0.5651   -0.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0474   -1.4499    0.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3123   -4.2013    1.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9065   -3.9016    1.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -4.2173    4.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8154   -3.9351    4.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958  -10.1015   -6.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8493   -8.5360   -3.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4598   -0.8300   -0.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8607    1.7827   -0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6837   -4.1347    5.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6178  -10.3392   -7.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8641   -8.7951   -4.6808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9394    1.0749   -0.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678    3.6667   -0.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7585   -9.6860   -6.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0362    3.3260   -0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  9  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 21  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 22  1  0  0  0  0
 18 46  1  0  0  0  0
 19 23  2  0  0  0  0
 19 47  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 22 28  2  0  0  0  0
 22 48  1  0  0  0  0
 23 28  1  0  0  0  0
 23 49  1  0  0  0  0
 24 29  1  0  0  0  0
 24 50  1  0  0  0  0
 25 30  2  0  0  0  0
 25 51  1  0  0  0  0
 26 31  1  0  0  0  0
 26 52  1  0  0  0  0
 27 32  2  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 33  2  0  0  0  0
 29 55  1  0  0  0  0
 30 33  1  0  0  0  0
 30 56  1  0  0  0  0
 31 34  2  0  0  0  0
 31 57  1  0  0  0  0
 32 34  1  0  0  0  0
 32 58  1  0  0  0  0
 33 59  1  0  0  0  0
 34 60  1  0  0  0  0
M  END
>  <NSC>
2187

>  <CAS_RN>
631-25-4

$$$$
2210
  Marvin  03121014323D          

 25 25  0  0  1  0            999 V2000
    3.9157    5.2183   -0.6406 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0725    5.8060   -2.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4349    4.8819   -0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8116    4.0375   -0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5131    6.2481   -2.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8572    4.1023    0.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6656    2.8432   -1.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7355    3.0200    0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5418    1.7585   -0.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5826    1.8491   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4322    0.8089    0.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943    6.0240    0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7408    5.0754   -2.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4245    6.6815   -2.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3561    4.5303    0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0331    4.1105   -0.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8123    5.7724   -0.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8521    7.0323   -1.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5318    6.6367   -3.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2071    5.4069   -2.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9959    4.9445    1.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9227    2.7540   -1.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871    3.0895    1.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4198    0.9078   -1.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1320    0.9288   -0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  2  0  0  0  0
  7 22  1  0  0  0  0
  8 10  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
>  <NSC>
2210

>  <CAS_RN>
99-71-8

$$$$
2573
  Marvin  03121014323D          

 24 23  0  0  1  0            999 V2000
   -2.2761    1.8040    0.3189 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1125    2.0209   -0.7046 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8418    3.1269    0.9286 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3371    1.0855   -0.3127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    0.7267   -1.2659 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5751    2.7926   -1.8137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    2.8909    1.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8073    3.8724    1.5747 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1433   -0.1246   -0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3705   -0.0515   -2.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1121    2.2963    1.3955 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3449   -0.0033    0.1134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9101    1.1866    1.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3225    2.6025   -0.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2529    3.7523    0.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9812    0.1887   -0.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3455    1.0240   -1.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034    3.6684   -1.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2638    3.8433    2.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5941    2.2447    2.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1840    4.1347    0.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4266   -0.8168    0.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6760    0.5449   -2.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7322    2.1630    2.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END
>  <NSC>
2573

>  <CAS_RN>
1990-29-0

$$$$
2579
  Marvin  03121014323D          

 20 20  0  0  0  0            999 V2000
    4.2408    0.1833    2.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1529    0.9191    2.5633 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5492   -1.1329    2.0434 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9674    0.6885    1.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9464   -0.2089    1.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.0796    1.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6880    0.2525    0.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5716    3.0291    2.0748 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    2.5396    1.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2692   -0.6342    0.4653 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4136    1.6317    0.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1746   -0.9433   -0.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4368   -1.4446    2.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1091   -1.2194    1.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1778    3.1095    1.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862    3.5402    1.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5008    1.9758    0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -1.6609   -1.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3252   -0.0540   -1.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7877   -1.3988   -1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <NSC>
2579

>  <CAS_RN>
2612-02-4

$$$$
2580
  Marvin  03121014323D          

 26 27  0  0  0  0            999 V2000
   -0.0206   -2.1888    0.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4489   -1.1210    0.1534 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7171   -1.9099    2.3623 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2455   -3.4959    0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1801    0.0867    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -3.7910   -0.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5764   -4.5825    0.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5848    0.2053   -0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6058    1.2578    0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5302   -5.1009   -0.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3476   -5.8948    0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1889    1.4717   -0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0010    2.5257   -0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7084   -6.1542   -0.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3967    2.6340   -0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2939   -1.2034   -0.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9285   -3.0575   -0.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690   -4.4389    1.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725   -0.6300   -0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6225    1.1941    0.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2968   -5.2879   -1.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9531   -6.6570    0.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2037    1.5504   -0.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5781    3.3704    0.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8748   -7.1065   -0.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8357    3.5554   -0.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  2  0  0  0  0
  7 18  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  2  0  0  0  0
  9 20  1  0  0  0  0
 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 12 15  2  0  0  0  0
 12 23  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
>  <NSC>
2580

>  <CAS_RN>
636-04-4

$$$$
2581
  Marvin  03121014323D          

 18 19  0  0  0  0            999 V2000
    1.1847    0.0247   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0677    0.0286   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8706   -1.1059   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8847    1.2511   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2099   -0.7148   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5127   -2.4693    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3519    0.7450   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2370   -1.6768   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5373   -3.4393    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8936   -3.0443    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6687    1.8423   -0.9041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6785    1.8484    0.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4689   -2.7550    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8838    1.0676   -0.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8891    1.0817    0.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2171   -1.3899   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2971   -4.4342    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6294   -3.7538    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
>  <NSC>
2581

>  <CAS_RN>
83-33-0

$$$$
2583
  Marvin  03121014323D          

 10  9  0  0  0  0            999 V2000
   -1.3509    0.0152   -0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8477   -1.2604    0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0163    0.0200   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0806   -1.5255    1.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1644    0.0221   -0.0241 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6997    0.8428    0.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7079    0.1891   -1.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0114   -1.9846   -0.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4095   -2.4231    2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9259   -0.8399    2.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  2  0  0  0  0
  2  8  1  0  0  0  0
  3  5  3  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
>  <NSC>
2583

>  <CAS_RN>
109-75-1

$$$$
2586
  Marvin  03121014323D          

 24 23  0  0  1  0            999 V2000
    1.4447   -1.9709    1.4735 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7504   -0.6902    0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6331   -1.7500    3.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1074   -2.4065    1.2243 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -0.9138   -0.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3785   -3.0240    3.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9096    0.3584   -1.7299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384    0.0967   -3.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1246   -2.7673    1.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0675    0.1079    0.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7727   -0.3672    0.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9536   -0.9649    3.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6579   -1.4167    3.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0968   -2.6700    0.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6041   -1.2453   -1.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3150   -1.7017   -1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246   -2.8107    4.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3570   -3.3813    3.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0722   -3.8155    3.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179    1.1514   -1.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9300    0.7065   -1.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9372    1.0097   -3.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -0.2288   -3.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327   -0.6792   -3.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
M  END
>  <NSC>
2586

>  <CAS_RN>
589-82-2

$$$$
2587
  Marvin  03121014323D          

 30 29  0  0  0  0            999 V2000
    1.7962    3.9136    4.1782 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9457    4.2707    2.7256 S   0  0  2  0  0  0  0  0  0  0  0  0
    2.9903    4.6833    4.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7810    3.3899    1.5111 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2217    5.8037    2.3626 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    4.2656    5.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083    2.2484    1.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8186    5.1667    6.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608    1.5843   -0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3990    4.8077    7.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9008    0.3143   -0.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5317   -0.3347   -1.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448    5.7466    4.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    4.5082    3.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9545    3.2265    5.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8538    4.3181    6.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0112    2.5426    0.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743    1.5272    1.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4935    6.2100    6.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6117    5.0784    5.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6803    2.3113   -0.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    1.3159    0.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7706    3.7815    7.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2270    5.4807    7.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359    4.9160    8.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1364    0.5733   -0.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8939   -0.4239    0.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5244    0.3658   -2.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9571   -1.2199   -2.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5619   -0.6375   -1.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END
>  <NSC>
2587

>  <CAS_RN>
626-85-7

$$$$
2589
  Marvin  03121014323D          

  9  8  0  0  0  0            999 V2000
   -1.3628   -0.0047    0.0082 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9001    0.7251   -1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0063   -0.0103    0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8919    0.7905    1.4906 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8919   -1.6861    0.0607 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6599    0.7827   -1.3557 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1549   -0.0125    0.0217 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5411    1.7583   -1.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5411    0.2276   -2.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  3  0  0  0  0
M  END
>  <NSC>
2589

>  <CAS_RN>
813-74-1

$$$$
3119
  Marvin  03121014323D          

 31 30  0  0  1  0            999 V2000
   -1.7407    1.0217    0.0034 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8223    2.3398   -0.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370    0.7191    0.1617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4446    1.0538    1.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1086    3.3783   -0.1366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007    2.4874   -1.7003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0428   -0.6669    0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0252    4.7112   -0.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.7973    0.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1784    5.4018    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0252   -2.0623    0.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5577    6.7507   -0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4481   -3.1199    0.1393 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8551    7.3529   -0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2462    0.2815   -0.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3839    0.0737    1.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9752    1.7894    2.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4996    1.3101    1.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0928   -0.9989   -0.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5704   -1.2906    0.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9526    5.2487   -0.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8734    4.6814   -1.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1339   -0.1037   -0.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6395   -0.5369    1.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0560    5.5625    1.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0389    4.7284   -0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2591    7.4643   -0.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7025    6.5977   -1.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7312    7.5654    1.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0965    8.2839   -0.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6893    6.6583   -0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  3  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
>  <NSC>
3119

>  <CAS_RN>
5338-12-5

$$$$
3569
  Marvin  03121014323D          

 21 20  0  0  0  0            999 V2000
   -0.5688    1.1803    0.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9548    1.0879    0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1077    2.4816    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0697    0.0632    0.0669 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6008   -0.0889   -0.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6705    2.0684    0.4455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1938    3.2499   -1.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3279   -0.1057    0.0173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9278   -0.5310   -1.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6896   -1.8650   -1.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1994    3.0905    0.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1926    2.3682    0.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3906    4.1719   -1.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2523    3.5122   -1.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0713    2.6433   -2.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4359   -1.0798    0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0096   -0.6689   -2.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5502    0.2167   -1.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8983   -2.2166   -2.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0930   -2.6171   -0.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6338   -1.7301   -0.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
>  <NSC>
3569

>  <CAS_RN>
5339-83-3

$$$$
3589
  Marvin  03121014323D          

 33 34  0  0  0  0            999 V2000
    3.2292   -0.2850    3.0266 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7389   -1.5313    2.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2715    0.3540    2.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4345   -2.1084    3.9584 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6022   -2.3028    1.9626 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9757    1.7100    2.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -0.2498    1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8826   -1.6281    5.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9710    2.4232    1.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6398    2.3672    3.5725 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5526    0.4482    0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3814   -2.4859    5.9251 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8790   -0.3674    5.5159 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2696    1.7834    0.8205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953    3.7651    2.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3978    3.6572    3.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1040   -0.1337   -0.5623 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4071    4.3871    3.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183   -1.0786   -0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5791    0.2634    3.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370   -3.0470    3.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9658   -3.1667    1.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7073   -1.2144    0.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7180   -2.2205    6.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2713   -0.1360    6.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5009    0.3342    4.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4461    2.2872    0.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0218    4.2973    1.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9377    4.0914    4.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2061    5.3562    3.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6240   -1.4126   -1.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6819   -1.9545    0.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8656   -0.6290    0.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 23  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 18  2  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
>  <NSC>
3589

>  <CAS_RN>
5339-95-7

$$$$
3928
  Marvin  03121014323D          

 21 21  0  0  0  0            999 V2000
   -0.3547   -0.0251    0.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0650    1.2208    0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0402   -0.8486    1.1348 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0189   -0.3082    0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7995    0.6207   -0.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6583   -1.5182    0.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1573    0.3978   -0.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0285   -2.4955    1.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9999   -1.7676    0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8394    1.3291   -1.6381 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7422   -0.8273   -0.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9558    1.2061   -1.9611 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3182    2.4278   -2.0165 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0300   -1.1550   -0.7965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0977    1.2197    0.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0851    1.3224   -0.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627    2.0878    0.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3695    1.4967   -0.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0430   -2.1873    2.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4438   -2.6438    0.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0153   -1.4538   -1.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 21  1  0  0  0  0
M  CHG  2  10   1  13  -1
M  END
>  <NSC>
3928

>  <CAS_RN>
3328-77-6

$$$$
3935
  Marvin  03121014323D          

 16 16  0  0  0  0            999 V2000
   -0.5866    1.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1089    0.0317   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9799    1.0900   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3762    0.0053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7219   -0.1188   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041    2.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1306   -0.1208   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1095    2.3153   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9237   -1.6215   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.8314    1.1060   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5262    1.1788   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1074    1.9826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5895   -0.9515   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2350   -1.0178   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132    3.2037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6013    3.2123   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
3935

>  <CAS_RN>
5331-92-0

$$$$
3965
  Marvin  03121014323D          

 42 44  0  0  0  0            999 V2000
   -2.6315   -1.4785    3.0860 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4475   -2.5124    4.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0258   -1.5200    1.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2170   -2.2549    5.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3086   -0.4141    1.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0307   -2.6472    1.0970 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7871   -3.2547    6.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5951   -0.5253    0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0753    0.8718    1.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3664   -2.7242   -0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5357   -3.1577    7.7795 N   0  0  2  0  0  0  0  0  0  0  0  0
    0.0559    0.6405    0.0019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6341   -1.6665   -0.5384 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2462    1.4718    0.9629 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4113   -1.8305    8.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1700   -4.2714    8.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9114    0.9082   -1.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0477    0.0925   -1.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6714    1.9870   -1.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9157    0.3367   -2.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330    2.2253   -2.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6554    1.3985   -3.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    1.6733   -4.5220 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1183   -0.6783    3.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7563   -3.4754    3.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3770   -2.5648    4.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2910   -2.3421    5.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0078   -1.2377    5.7085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9242   -4.2615    6.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7181   -3.1181    6.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4555    1.2899    2.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4086   -3.5767   -0.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9172   -1.0635    7.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8827   -1.8426    9.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3656   -1.5400    8.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3617   -5.2372    8.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7781   -4.2307    9.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1135   -4.2238    8.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2509   -0.6840   -0.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1425    2.5913   -1.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319   -0.2649   -2.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3333    2.9976   -3.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 24  1  0  0  0  0
  2  4  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
  9 31  1  0  0  0  0
 10 13  1  0  0  0  0
 10 32  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 14  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 22  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
3965

>  <CAS_RN>
999-99-9

$$$$
4087
  Marvin  03121014323D          

 27 26  0  0  0  0            999 V2000
   -2.1478   -0.6865    1.0605 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9220    0.2268    0.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4774    0.1448    1.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9036   -1.5230    2.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.4122    0.8437 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8667    0.9470   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0696   -2.4226    2.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5094   -0.0676    0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7382   -0.8054    0.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5543    0.8491   -0.6400 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1768   -0.4974    2.2375 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2607   -1.4033    0.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0336    0.5707   -0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9156    1.1070    1.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3133   -0.5341    1.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4252    0.8363    1.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -2.1953    2.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6403   -0.8457    3.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4118   -1.1347    1.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1535    1.7501   -0.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9142    0.2884   -0.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8508    1.3999    0.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7232   -3.0866    3.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4461   -3.0328    2.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8847   -1.8217    3.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5786   -1.8778    0.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5762   -0.4988   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
M  END
>  <NSC>
4087

>  <CAS_RN>
5397-39-7

$$$$
4092
  Marvin  03121014323D          

 13 12  0  0  0  0            999 V2000
   -0.5700    0.6952    1.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0402    0.6645    1.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0702    0.0706    0.1194 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0769    1.3001    2.0388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5795   -0.2271    2.7257 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4891   -0.0244   -0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2262   -0.0789    2.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3683    0.0200    2.8475 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4491    0.1583    0.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4206    1.6866    1.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9286   -0.5679    0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7066   -0.5642   -0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9328    0.9711   -0.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <NSC>
4092

>  <CAS_RN>
689-77-0

$$$$
4454
  Marvin  03121014323D          

 39 39  0  0  1  0            999 V2000
   -0.2127    1.0312   -2.8292 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8985    0.3806   -1.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3747    2.2876   -3.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1178    0.7827   -1.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3935   -0.6955   -1.4498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0680    3.3585   -2.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2644    2.5392   -4.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2519    0.9774    0.2074 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0768    0.9895   -2.0435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1509    4.6215   -3.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2030    3.8069   -5.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5201    1.7744    0.6529 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2324   -0.3069    0.8279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4994    4.8574   -4.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7033    1.9479    2.1933 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5357    3.0697    0.0491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5062    6.4623   -5.3246 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9626    2.5810    2.4241 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
>  <NSC>
4454

>  <CAS_RN>
999-99-9

$$$$
4618
  Marvin  03121014323D          

 21 22  0  0  0  0            999 V2000
    1.8260   -0.1189    0.0601 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8528   -1.5081    1.1733 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <NSC>
4618

>  <CAS_RN>
6291-07-2

$$$$
5627
  Marvin  03121014323D          

 41 40  0  0  1  0            999 V2000
   -5.8545    0.4823    0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7492   -0.9596   -0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2421   -1.5111    0.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8026    2.1961    0.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6308   -0.3221    0.2230 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4610   -2.1223    0.7588 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
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 17 34  1  0  0  0  0
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 25 38  1  0  0  0  0
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 27 40  1  0  0  0  0
 27 41  1  0  0  0  0
M  END
>  <NSC>
5627

>  <CAS_RN>
999-99-9

$$$$
6297
  Marvin  03121014323D          

 12 12  0  0  0  0            999 V2000
   -4.8519    0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0719   -0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6033   -2.1049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1767   -2.1049   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1767    2.1049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  4  1  0  0  0  0
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  3  9  1  0  0  0  0
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  4 10  1  0  0  0  0
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  5 11  1  0  0  0  0
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  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <NSC>
6297

>  <CAS_RN>
624-38-4

$$$$
6965
  Marvin  03121014323D          

 14 13  0  0  0  0            999 V2000
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    1.1664    0.3906    0.6800 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0887    0.7265   -1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  3 10  1  0  0  0  0
  5  7  1  0  0  0  0
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  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
>  <NSC>
6965

>  <CAS_RN>
5406-22-4

$$$$
7362
  Marvin  03121014323D          

 15 16  0  0  0  0            999 V2000
    1.6048   -0.5134    0.1527 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4903   -0.5545    0.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
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  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
>  <NSC>
7362

>  <CAS_RN>
1839-18-5

$$$$
7659
  Marvin  03121014323D          

 23 24  0  0  0  0            999 V2000
   -0.4404    0.3284    0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 20  1  0  0  0  0
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 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <NSC>
7659

>  <CAS_RN>
941-98-0

$$$$
7794
  Marvin  03121014323D          

 29 31  0  0  0  0            999 V2000
   -0.7002    2.4623    4.7753 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2520    1.1552    2.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 29  1  0  0  0  0
M  END
>  <NSC>
7794

>  <CAS_RN>
5413-65-0

$$$$
8653
  Marvin  03121014323D          

 16 15  0  0  0  0            999 V2000
    2.1728   -0.7530   -1.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
8653

>  <CAS_RN>
96-22-0

$$$$
9044
  Marvin  03121014323D          

 31 31  0  0  0  0            999 V2000
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   -0.2195   -1.5936   -1.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
>  <NSC>
9044

>  <CAS_RN>
72807-56-8

$$$$
9074
  Marvin  03121014323D          

 40 43  0  0  0  0            999 V2000
    4.9079   -2.8085   -0.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 24  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
>  <NSC>
9074

>  <CAS_RN>
2313-03-3

$$$$
9160
  Marvin  03121014323D          

 73 78  0  0  1  0            999 V2000
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 36 73  1  0  0  0  0
M  END
>  <NSC>
9160

>  <CAS_RN>
999-99-9

$$$$
9186
  Marvin  03121014323D          

 19 19  0  0  0  0            999 V2000
   -1.1188   -1.1020    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4705   -2.5110    0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267   -0.2376    0.0378 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
9186

>  <CAS_RN>
326-90-9

$$$$
9317
  Marvin  03121014323D          

 15 15  0  0  0  0            999 V2000
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M  END
>  <NSC>
9317

>  <CAS_RN>
1194-22-5

$$$$
9321
  Marvin  03121014323D          

 31 32  0  0  0  0            999 V2000
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  4  6  2  0  0  0  0
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  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  2  0  0  0  0
  7 22  1  0  0  0  0
  8 11  1  0  0  0  0
  8 23  1  0  0  0  0
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  9 12  2  0  0  0  0
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 10 12  1  0  0  0  0
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 11 13  2  0  0  0  0
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 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
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 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
>  <NSC>
9321

>  <CAS_RN>
4976-05-0

$$$$
9322
  Marvin  03121014323D          

 21 21  0  0  0  0            999 V2000
    0.5281    2.1191   -0.0902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0800    1.1164   -0.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1374   -0.0283    0.2105 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6013    2.4196   -2.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995    0.1197   -2.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5218   -0.1028    1.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612   -1.0893   -0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0106    0.2014   -3.3179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4804   -1.0428   -1.4970 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9749   -2.1246    0.4314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2313   -2.1824   -1.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3316    2.9618   -2.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6452    2.2240   -3.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4208    0.5155    1.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8425   -1.1173    1.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1714    0.2375    2.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8275   -3.1341   -1.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2259   -2.2392   -3.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2666   -2.1005   -1.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  2  0  0  0  0
  8 10  1  0  0  0  0
 10 12  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
>  <NSC>
9322

>  <CAS_RN>
827-16-7

$$$$
9329
  Marvin  03121014323D          

 61 63  0  0  0  0            999 V2000
    3.7555    1.9062    1.8098 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8248    2.6462    2.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5186    2.1191    0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5891    1.3287   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1944    3.1460   -0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    3.2187    5.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2885    1.6084   -1.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9048    3.4148   -1.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177    3.0535    6.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9259    2.6710   -2.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3403    3.9253    7.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6038    2.9255   -3.7082 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6362    3.8717    8.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6043    2.1299   -4.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5281    4.4296   -4.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7058    4.6673    9.7831 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.2879    2.2919   -6.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2129    4.5807   -5.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9627    4.3999   11.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6921    6.1382    9.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2203    3.7820   -6.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032    5.1950   12.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2302    6.9357   10.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0902    6.6382   11.8513 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    2.3135    2.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8973    3.7172    2.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0576    1.3725    4.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1261    2.7844    4.3509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1192    0.5527    0.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8957    3.7075    0.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0786    2.8823    4.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1606    4.2794    4.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5990    1.0202   -2.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4202    4.1630   -2.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3456    3.3428    6.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1918    2.0015    6.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4339    4.9547    7.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3107    3.5998    7.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6046    2.5184   -3.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771    2.8192    9.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6665    4.2010    9.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250    2.4733   -4.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5592    1.0655   -4.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7591    4.9478   -3.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4783    4.9341   -3.9599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334    1.8061   -6.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0652    1.7956   -6.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2710    5.6356   -5.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1936    4.2372   -5.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9944    4.6644   11.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8209    3.3379   11.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7068    6.5431    9.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2127    4.2285   -6.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0249    4.8414   12.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2755    6.6901   10.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5973    7.1220   12.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  8  1  0  0  0  0
  5 30  1  0  0  0  0
  6  9  2  0  0  0  0
  6 31  1  0  0  0  0
  7 10  1  0  0  0  0
  7 32  1  0  0  0  0
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  8 34  1  0  0  0  0
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  9 35  1  0  0  0  0
 10 12  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 13 40  1  0  0  0  0
 14 17  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 18  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 19  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 22  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 23  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 24  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 25  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 24 25  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 61  1  0  0  0  0
M  END
>  <NSC>
9329

>  <CAS_RN>
999-99-9

$$$$
9364
  Marvin  03121014323D          

 27 28  0  0  1  0            999 V2000
    0.3632    0.3008   -0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0257    0.0570   -2.0767 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1095   -0.8203    0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7165    1.1699   -2.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2354   -0.1955   -2.8776 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4902   -1.0091    0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5699   -1.9253    0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1038    1.0665   -3.8965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0151    2.3150   -2.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7385   -2.2111    0.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5470   -0.2341   -0.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5638   -2.7408    1.1021 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0491   -2.6907    0.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8651   -0.7070   -0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1178   -1.9240    0.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3468   -2.3419    0.5255 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9494    1.2175   -0.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5691    0.4473   -0.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6033   -0.8346   -2.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7158   -0.9938   -2.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538    0.6129   -2.7786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4253   -2.0965    0.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5165    3.0246   -2.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    0.6453   -0.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490   -3.5796    1.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2219   -3.5759    1.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6426   -0.1638   -0.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  2  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
9364

>  <CAS_RN>
7730-20-3

$$$$
9470
  Marvin  03121014323D          

 20 19  0  0  1  0            999 V2000
    2.5252    0.0021    0.0501 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0407   -1.0440   -0.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1481    0.0400    0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0745   -0.2941    1.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9654    1.3067   -0.3292 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0459    0.0650    0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1022   -1.8727   -3.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7174   -2.0446   -0.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7352    0.4674    2.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7437   -1.2735    1.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1666   -0.2858    1.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4934   -0.7861   -2.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9461    0.1829   -2.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9673    0.0804    0.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1931   -1.8816   -3.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  3  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
>  <NSC>
9470

>  <CAS_RN>
4339-05-3

$$$$
9722
  Marvin  03121014323D          

 51 54  0  0  1  0            999 V2000
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M  END
>  <NSC>
9722

>  <CAS_RN>
5419-48-7

$$$$
9834
  Marvin  03121014323D          

 23 24  0  0  0  0            999 V2000
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M  END
>  <NSC>
9834

>  <CAS_RN>
5419-77-2

$$$$
9953
  Marvin  03121014323D          

 44 44  0  0  0  0            999 V2000
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M  END
>  <NSC>
9953

>  <CAS_RN>
6292-84-8

$$$$
9954
  Marvin  03121014323D          

 58 57  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
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  3 27  1  0  0  0  0
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  7 33  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 38  1  0  0  0  0
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 13 44  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 24  1  0  0  0  0
 23 55  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
M  END
>  <NSC>
9954

>  <CAS_RN>
999-99-9

$$$$
9975
  Marvin  03121014323D          

 32 32  0  0  1  0            999 V2000
    0.2960   -0.2281    0.7214 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2206   -1.4704    0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5729    0.5295    1.8989 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4438    0.6053   -0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0440   -2.4066    1.7556 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4220    1.6263   -0.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3544    0.3347   -1.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9332   -3.6021    1.7507 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6058    2.3465   -1.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1649    1.0425   -2.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7534   -4.3272    3.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6573   -4.5704    0.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5648    3.3035   -1.8662 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8107    2.0532   -2.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9781    2.7349   -4.0846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7397   -0.5677    0.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4018   -0.0870    2.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2881   -1.8772    2.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0219    1.8456    0.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721   -0.3937   -1.6184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9758   -3.2714    1.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7332    0.8105   -3.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141   -5.1951    3.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7201   -4.6609    3.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2333   -5.4909    0.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9531   -4.1198   -0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966   -4.8241    0.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4095    3.5266   -3.9812 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2 18  1  0  0  0  0
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  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
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 10 14  1  0  0  0  0
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 11 27  1  0  0  0  0
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 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
>  <NSC>
9975

>  <CAS_RN>
7683-59-2

$$$$
10041
  Marvin  03121014323D          

 26 28  0  0  0  0            999 V2000
   -0.6865   -2.1194    1.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3767   -3.3220    0.9471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9275   -1.2596   -0.0700 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -2.2833   -0.6711   -0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3463   -0.8872    3.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1073   -2.2377    3.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3443   -1.3346   -0.1368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2222    0.7198   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581   -0.0355   -0.1747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8836    1.1053   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9034    3.0429    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5937   -2.1779    4.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5684   -3.0706    3.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2373    1.3898   -0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6389    3.7554    0.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020    4.4285    0.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
 10 13  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
>  <NSC>
10041

>  <CAS_RN>
6286-26-6

$$$$
10237
  Marvin  03121014323D          

 16 16  0  0  0  0            999 V2000
   -0.3616    4.7270   -1.6940 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2454    5.4702   -1.8560 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7599    5.2080   -2.0592 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4994    3.4854   -1.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517    2.6657   -1.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448    2.9299   -0.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6191    1.3506   -0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3915    3.8075   -0.8593 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8071    1.6292   -0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7582    0.6330   -0.3784 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6480    0.8494   -0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7971   -0.4527    0.0509 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8974    1.0767   -0.7315 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8019   -0.3474    0.4083 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5560    3.0419   -1.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7092    1.2412    0.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  CHG  4   1   1   3  -1  10   1  13  -1
M  END
>  <NSC>
10237

>  <CAS_RN>
400-91-9

$$$$
10270
  Marvin  03121014323D          

 12 12  0  0  0  0            999 V2000
    0.1471   -2.7032   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6806   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230   -0.0010   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0912   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3283    0.0256    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6854    1.2175   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7957   -0.0008   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0929    1.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6137   -2.1001   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1796    2.1075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8198    0.0000   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6052    2.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <NSC>
10270

>  <CAS_RN>
348-51-6

$$$$
10953
  Marvin  03121014323D          

 46 48  0  0  0  0            999 V2000
    1.9284   -1.3986    0.1579 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6663   -2.1264   -1.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6554   -2.1782    1.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2681   -0.0475    0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 13 17  1  0  0  0  0
 13 32  1  0  0  0  0
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 14 33  1  0  0  0  0
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 15 34  1  0  0  0  0
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 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
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 21 41  1  0  0  0  0
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 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END
>  <NSC>
10953

>  <CAS_RN>
5411-37-0

$$$$
10989
  Marvin  03121014323D          

 21 21  0  0  0  0            999 V2000
   -0.8122   -0.8488    0.4743 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1249   -0.9888    0.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0842    0.2780    0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6615   -2.1797    1.2012 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9321   -0.0339    0.8756 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3162    0.0990    0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9829   -3.4270    1.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2577    2.6788   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6475    2.4818   -0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
>  <NSC>
10989

>  <CAS_RN>
1007-36-9

$$$$
11272
  Marvin  03121014323D          

 22 22  0  0  1  0            999 V2000
   -1.3645    0.0360   -0.0232 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9035    1.4956    0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
>  <NSC>
11272

>  <CAS_RN>
769-68-6

$$$$
12219
  Marvin  03121014323D          

 26 26  0  0  0  0            999 V2000
    2.3080   -1.3538   -1.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2622   -1.8520   -1.0405 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8086   -3.0424   -1.0283 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    0.6384   -1.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8053    0.8317   -0.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4322   -3.3372   -0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1141    1.9764   -1.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3 17  1  0  0  0  0
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  4  6  2  0  0  0  0
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  6  9  1  0  0  0  0
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 10 13  1  0  0  0  0
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 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END
>  <NSC>
12219

>  <CAS_RN>
5424-45-3

$$$$
12358
  Marvin  03121014323D          

 36 39  0  0  0  0            999 V2000
   -0.3676   -0.3341    0.2088 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5091    2.8158   -2.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9911    3.0695   -3.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0773   -0.3939    1.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1616    2.0085   -4.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4582   -0.5035    1.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7187   -0.5043    2.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1323   -0.5208   -2.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2156    4.0267   -3.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7568   -2.0082   -1.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8981   -0.2657   -1.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169    2.1889   -5.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9889   -0.0635    3.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6535   -1.2995   -1.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3718   -0.3773    2.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2021   -0.9879    0.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  2  0  0  0  0
  7 24  1  0  0  0  0
  8 12  1  0  0  0  0
  8 25  1  0  0  0  0
  9 13  2  0  0  0  0
  9 26  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 11 27  1  0  0  0  0
 12 16  2  0  0  0  0
 12 28  1  0  0  0  0
 13 16  1  0  0  0  0
 13 29  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
>  <NSC>
12358

>  <CAS_RN>
999-99-9

$$$$
12398
  Marvin  03121014323D          

 26 28  0  0  1  0            999 V2000
   -0.2593    5.3363   -0.7490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0044    4.3539   -1.4651 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8048    2.9909   -0.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4637    4.4943   -1.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0070    2.4200   -0.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3955    2.2619   -0.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0249    3.3386   -0.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2859    5.5948   -1.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0510    1.1196    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3976    0.9408   -0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4058    3.2398   -0.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6735    5.5108   -1.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.3905    0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5368    0.2308   -0.1817 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.2298    4.3382   -0.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5794    0.6452   -0.5104 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5730   -0.9522    0.2848 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5292    5.2376    0.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7473    4.3917   -2.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2639    2.7009   -1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8858    6.4438   -1.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9362    0.7048    0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8116    2.3912   -0.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2806    6.3020   -1.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8973   -0.5576    0.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2365    4.2840   -0.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 20  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 21  1  0  0  0  0
  9 13  2  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 23  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 26  1  0  0  0  0
M  CHG  2  14   1  17  -1
M  END
>  <NSC>
12398

>  <CAS_RN>
28149-15-7

$$$$
12403
  Marvin  03121014323D          

 26 28  0  0  0  0            999 V2000
   -0.4629    0.4567   -0.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    0.7571   -0.9893 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8623    0.0966   -0.8356 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3047    0.0307    0.5660 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7432    1.0009   -1.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1433   -1.1848   -1.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4593    0.3079   -2.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9343    2.3904   -1.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921   -1.0292   -2.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6025   -2.4612   -1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3782    0.9649   -3.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8489    3.0618   -2.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5305   -2.1233   -3.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0298   -3.5653   -2.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5687    2.3522   -3.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9904   -3.3974   -3.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1394    0.9464    0.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7038   -0.6386    1.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4182    2.9078   -0.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0905   -2.5886   -0.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9028    0.4526   -4.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9936    4.0680   -2.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2283   -2.0048   -4.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6432   -4.4936   -1.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2334    2.8445   -3.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2987   -4.2031   -3.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  8 19  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 15  2  0  0  0  0
 11 21  1  0  0  0  0
 12 15  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  2  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
>  <NSC>
12403

>  <CAS_RN>
999-99-9

$$$$
12404
  Marvin  03121014323D          

 39 42  0  0  0  0            999 V2000
   -2.9013   -1.6859    3.6463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8561   -1.0492    3.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1841   -1.0764    3.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7966   -0.1766    2.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9424   -0.2229    2.7625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7764   -1.8064    4.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0781    0.3334    1.8128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6971    0.2035    1.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3232   -0.0638    2.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1589   -1.6369    4.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3024    1.2384    0.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9127    1.1096    0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9230   -0.7832    4.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7934   -2.2546    5.9146 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2053    1.6216   -0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3241   -2.4461    7.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0462   -3.1490    7.9269 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1196   -1.9072    7.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7622   -0.5227    7.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208   -2.8249    8.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6253    0.4809    7.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4908   -0.1231    8.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9806   -2.3996    8.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8694    0.4086    7.2679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1427    1.5598    6.4841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6116   -1.0500    8.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2084   -2.4503    5.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7635   -0.1679    1.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8843    0.5563    2.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2350    1.6123    0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1267    1.3975   -0.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9249   -0.6676    4.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6930   -2.5734    5.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3459    2.2777   -0.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4522   -3.8210    8.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1896    0.8541    8.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3424   -3.0758    9.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7666    2.2118    6.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7049   -0.7403    9.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 27  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 28  1  0  0  0  0
  9 13  2  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 10 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 30  1  0  0  0  0
 12 15  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 35  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 22 36  1  0  0  0  0
 23 26  1  0  0  0  0
 23 37  1  0  0  0  0
 25 38  1  0  0  0  0
 26 39  1  0  0  0  0
M  END
>  <NSC>
12404

>  <CAS_RN>
5411-64-3

$$$$
12972
  Marvin  03121014323D          

 21 21  0  0  0  0            999 V2000
    3.0019   -3.2122    2.5367 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629   -4.3670    2.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7152   -3.0063    2.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9497   -4.2708    1.8866 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1596   -5.5120    2.2863 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1452   -1.7119    2.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9472   -4.0051    3.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9017   -0.6127    2.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1742   -1.4659    3.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3602   -3.7420    4.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9205   -2.4693    3.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2564   -4.9486    4.8448 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.4073    2.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4564   -5.0699    1.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3763   -3.4002    1.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3348   -4.9327    3.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8181   -0.4037    2.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3295    0.3156    2.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1630   -0.9077    1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.5495    3.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8711   -2.2675    4.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
>  <NSC>
12972

>  <CAS_RN>
5428-48-8

$$$$
13270
  Marvin  03121014323D          

 37 39  0  0  0  0            999 V2000
    1.7835    0.6024   -1.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7623   -0.2372   -0.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4566    1.0580   -2.6366 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0740    0.9167   -0.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4438    0.2394    0.5589 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.5639    0.3027    0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
13270

>  <CAS_RN>
5423-94-9

$$$$
13271
  Marvin  03121014323D          

 40 42  0  0  0  0            999 V2000
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M  END
>  <NSC>
13271

>  <CAS_RN>
5428-57-9

$$$$
13273
  Marvin  03121014323D          

 47 48  0  0  1  0            999 V2000
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M  END
>  <NSC>
13273

>  <CAS_RN>
5428-59-1

$$$$
13274
  Marvin  03121014323D          

 47 49  0  0  0  0            999 V2000
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 17 21  1  0  0  0  0
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 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
M  END
>  <NSC>
13274

>  <CAS_RN>
5442-75-1

$$$$
14712
  Marvin  03121014323D          

 48 49  0  0  0  0            999 V2000
    0.0431    0.2621    0.2058 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4652   -0.3655    1.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0963   -0.2592   -0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7348    0.3035    1.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9944   -1.5222   -1.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3200    0.4644   -0.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3062   -0.5702    3.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1375   -2.1137   -1.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1919   -2.1913   -1.2045 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4620    1.8009    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -0.1275   -1.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5665   -0.0057    3.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3562   -1.4083   -1.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 48  1  0  0  0  0
M  END
>  <NSC>
14712

>  <CAS_RN>
88755-80-0

$$$$
15664
  Marvin  03121014323D          

 27 27  0  0  0  0            999 V2000
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   -2.8804   -3.2952    1.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7757   -2.1022    1.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2796   -3.5249    1.1693 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.1707   -2.8964    1.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3470   -0.8801    0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3150   -4.1110   -0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1333   -2.2354    1.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151   -2.4806    1.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9753   -0.4406    0.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 17  1  0  0  0  0
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 11 26  1  0  0  0  0
 12 14  2  0  0  0  0
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 13 27  1  0  0  0  0
M  CHG  2  12   1  15  -1
M  END
>  <NSC>
15664

>  <CAS_RN>
5434-53-7

$$$$
15719
  Marvin  03121014323D          

 33 35  0  0  1  0            999 V2000
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   -2.7204    3.0551   -0.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4242    5.8495    0.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2880    6.1011   -1.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2674    1.7282    1.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4686    0.2162    2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2880    1.2069    1.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4039   -1.7447    1.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2176   -1.6822   -2.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6028    7.8153   -1.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5402   -2.8885   -0.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  5  1  0  0  0  0
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  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
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M  END
>  <NSC>
15719

>  <CAS_RN>
999-99-9

$$$$
15825
  Marvin  03121014323D          

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M  END
>  <NSC>
15825

>  <CAS_RN>
6317-86-8

$$$$
16462
  Marvin  03121014323D          

 39 40  0  0  0  0            999 V2000
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M  END
>  <NSC>
16462

>  <CAS_RN>
5449-97-8

$$$$
16480
  Marvin  03121014323D          

 32 33  0  0  0  0            999 V2000
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 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
>  <NSC>
16480

>  <CAS_RN>
6636-20-0

$$$$
16630
  Marvin  03121014323D          

 27 26  0  0  0  0            999 V2000
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  9 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END
>  <NSC>
16630

>  <CAS_RN>
5438-17-5

$$$$
17201
  Marvin  03121014323D          

 33 32  0  0  1  0            999 V2000
    3.7405   -0.1961    0.4549 N   0  0  2  0  0  0  0  0  0  0  0  0
    3.1090    1.4691    0.4080 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8760   -0.6515    1.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  4  9  1  0  0  0  0
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 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
>  <NSC>
17201

>  <CAS_RN>
5446-32-2

$$$$
17490
  Marvin  03121014323D          

 40 42  0  0  1  0            999 V2000
   -1.8653   -0.8705   -0.3013 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0955    0.0934   -0.0593 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7012   -0.0332   -0.2102 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9656   -1.5451   -1.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5406   -2.3066    1.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4339   -2.7342    0.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0920   -2.3488   -1.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8532   -2.4639   -1.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6846   -4.3449    1.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
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  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
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 10 16  1  0  0  0  0
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 13 19  2  0  0  0  0
 13 31  1  0  0  0  0
 14 20  2  0  0  0  0
 14 32  1  0  0  0  0
 15 20  1  0  0  0  0
 15 33  1  0  0  0  0
 16 21  2  0  0  0  0
 16 34  1  0  0  0  0
 17 21  1  0  0  0  0
 17 35  1  0  0  0  0
 18 22  2  0  0  0  0
 18 36  1  0  0  0  0
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 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
>  <NSC>
17490

>  <CAS_RN>
6296-95-3

$$$$
17526
  Marvin  03121014323D          

 25 26  0  0  0  0            999 V2000
    3.3187    1.2412   -0.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2839    2.3922    0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9681    0.7069   -1.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0592    1.1700   -2.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4024   -0.3117   -0.4370 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6267    4.0672    1.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0872    0.4027   -1.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1528   -0.5000   -0.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7160    3.9216    2.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4381    5.3780    1.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5754    5.1874    3.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4009    6.0647    2.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1061    3.3942   -0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3648    2.2010    0.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2047    1.9323   -2.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9443    0.4881   -2.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5102   -1.1972   -0.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8533    3.0497    3.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5920    5.4275    4.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2588    7.0738    2.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
>  <NSC>
17526

>  <CAS_RN>
5447-79-0

$$$$
17560
  Marvin  03121014323D          

 26 27  0  0  0  0            999 V2000
    1.3629   -0.7494   -0.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0327   -0.2410   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0652   -1.0677    0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524    1.0817   -0.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4058   -0.5779    0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7510   -2.4504    0.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5744    1.9482   -1.1928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6665    1.5631   -0.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6843    0.7413   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -1.4095    0.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8612   -3.1192    1.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2317   -2.9205    0.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957   -0.9535    0.5215 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0181   -0.0477   -0.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3647   -1.6685   -1.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348   -3.0897   -0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1394   -2.4286    1.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1814    2.1040   -0.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8865    2.5159   -0.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375    1.1139   -0.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8594   -1.0273    1.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3906   -1.3111    0.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8799   -2.6766    2.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6525   -4.1869    1.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0031   -3.4130    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2239   -3.3817   -0.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <NSC>
17560

>  <CAS_RN>
56771-15-4

$$$$
17825
  Marvin  03121014323D          

 19 19  0  0  0  0            999 V2000
    0.1079    0.2484    1.0656 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1975    1.3674    0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1712   -0.6065    0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483    2.1899    0.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4498    1.7290   -0.6661 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3871   -0.3178    0.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0435   -1.8551    1.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5613    2.2833   -0.5113 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4296   -1.2637    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793   -2.8075    1.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0216   -0.8581   -0.6317 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2740   -2.5097    0.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8709   -4.4606    2.3819 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5279    0.0220    1.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8202    1.7808    1.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0042    3.2002    0.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388    0.5866   -0.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1898   -2.0807    2.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0329   -3.1939    0.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  2  0  0  0  0
  7 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 12  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <NSC>
17825

>  <CAS_RN>
999-99-9

$$$$
17826
  Marvin  03121014323D          

 19 19  0  0  0  0            999 V2000
    0.1663    0.2662    1.0932 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1592    1.3395    0.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2074   -0.6114    0.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2939    2.1767    0.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4399    1.6323   -0.7435 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4177   -0.3362    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0615   -1.8646    1.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8920    3.0533    2.6227 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.4420   -1.2994    0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0807   -2.8335    1.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0315   -0.9145   -0.6662 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2726   -2.5489    0.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483   -4.4901    2.3437 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4378    0.0961    1.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1959    1.5679    0.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4722    2.9789    0.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776    0.5712   -0.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2033   -2.0810    2.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0182   -3.2455    0.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  2  0  0  0  0
  7 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 12  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <NSC>
17826

>  <CAS_RN>
5448-50-0

$$$$
18229
  Marvin  03121014323D          

 23 24  0  0  1  0            999 V2000
   -3.1587   -1.0734   -1.0940 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1394   -0.4510    0.2369 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5485   -0.7399    1.6561 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5667    0.9420    0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5204   -1.1290    0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4366    0.1188    1.9512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8030   -0.5324    2.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8268    2.1414   -0.7588 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.6467    1.0865    0.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9153   -0.2123    1.5135 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7040    0.0804    3.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4936    2.4984    1.1639 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.5639   -0.4953    2.0804 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6255   -0.9006    3.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8955    0.9695    3.9558 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2159   -1.7821    1.7166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4753   -2.1948    0.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1465   -1.0105   -0.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0318   -1.4433    3.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6731    0.2904    3.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7680   -1.4287    4.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6197   -1.6315    2.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3413   -0.3952    3.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  9 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
>  <NSC>
18229

>  <CAS_RN>
999-99-9

$$$$
18312
  Marvin  03121014323D          

 49 52  0  0  1  0            999 V2000
    1.6921    7.4946    1.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4521    7.5057    2.4493 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0106    7.5871    2.3561 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1614    8.8624    3.1771 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0883    6.1993    3.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6646    6.3696    1.6247 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2689    9.0236    1.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5267    8.7851    4.5795 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340    9.8648    2.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7022    4.9225    2.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2454    5.0346    2.3591 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2316    6.4982    1.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4434    9.2059    5.6728 P   0  0  2  0  0  0  0  0  0  0  0  0
    4.9240    3.8781    1.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0263    5.2249    1.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0023    9.0023    7.0144 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1471    8.3166    5.4914 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0523   10.7282    5.4741 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3246    3.9916    1.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    2.7100    1.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0282    2.9540    0.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9661    1.6928    0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3508    1.8078    0.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0211    0.8137   -0.2863 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9325    6.6218    0.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6122    7.4912    1.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9237    8.3670    0.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292    7.5569    3.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1251    9.1795    3.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0030    6.0834    3.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4639    6.2589    4.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2596    6.3340    0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2136    9.0639    0.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2526    9.3850    2.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5458   10.5792    3.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6072   10.4342    1.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2029    4.7187    1.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5027    4.0723    3.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6691    5.0692    3.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6144    7.3231    2.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4754    6.7292    0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1065    5.1930    2.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0427    5.2865    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950    8.5564    4.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6597   10.7755    4.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580    2.5812    1.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0365    3.0308    0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
18312

>  <CAS_RN>
6345-23-9

$$$$
18316
  Marvin  03121014323D          

 58 62  0  0  1  0            999 V2000
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 27 28  2  0  0  0  0
M  END
>  <NSC>
18316

>  <CAS_RN>
21853-83-8

$$$$
18318
  Marvin  03121014323D          

 62 65  0  0  1  0            999 V2000
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M  END
>  <NSC>
18318

>  <CAS_RN>
906-83-2

$$$$
18449
  Marvin  03121014323D          

 48 52  0  0  0  0            999 V2000
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 31 47  1  0  0  0  0
 32 48  1  0  0  0  0
M  END
>  <NSC>
18449

>  <CAS_RN>
999-99-9

$$$$
18456
  Marvin  03121014323D          

 40 43  0  0  0  0            999 V2000
    0.6112   -0.4119    0.0633 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.0321    0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6269   -3.2467   -0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
18456

>  <CAS_RN>
999-99-9

$$$$
18734
  Marvin  03121014323D          

 45 46  0  0  0  0            999 V2000
    2.9232    1.1977   -0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
18734

>  <CAS_RN>
7251-81-2

$$$$
19643
  Marvin  03121014323D          

 39 42  0  0  0  0            999 V2000
   -2.6578    0.1956   -0.5843 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1761   -2.1101   -2.6518 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5068    0.6032   -0.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9894   -1.3281    2.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3718   -0.6797    2.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7225   -0.8612   -4.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4775   -2.0472   -4.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780    1.1772   -1.5831 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9738    1.7781    0.8528 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0297   -0.5276   -5.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5928   -2.9034   -5.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1332    2.4619   -1.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3817    3.0227   -0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470   -1.3581   -6.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0955    5.1015   -1.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317    0.5799    2.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4970   -0.5110    3.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4543    0.3155   -5.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1495   -3.7592   -5.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6679   -1.1024   -7.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0159   -3.1211   -7.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1902    2.8662   -3.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0465    4.6943    0.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0277    5.1414   -3.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4486    6.0553   -1.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 15  2  0  0  0  0
 11 12  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 32  1  0  0  0  0
 16 20  1  0  0  0  0
 16 33  1  0  0  0  0
 17 21  2  0  0  0  0
 17 18  1  0  0  0  0
 18 22  2  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
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 21 23  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  2  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
>  <NSC>
19643

>  <CAS_RN>
3741-79-5

$$$$
19809
  Marvin  03121014323D          

 27 27  0  0  0  0            999 V2000
   -3.0722   -3.1827    2.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5838   -2.5402    0.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7703   -3.6386    3.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8040   -2.1582   -0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1881   -3.7160    3.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0279   -4.0836    4.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5682   -3.2786   -1.1487 N   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8259   -4.2327    4.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6629   -4.6045    5.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8123   -3.9533   -1.6269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7145   -2.8589   -2.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0639   -4.6820    5.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8409   -1.7649    0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2187   -2.1006   -2.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4853   -3.7140   -2.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5236   -5.0667    6.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  2  0  0  0  0
  6 18  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
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  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
>  <NSC>
19809

>  <CAS_RN>
5443-51-6

$$$$
20208
  Marvin  03121014323D          

 32 33  0  0  0  0            999 V2000
   -1.9293   -3.3407    1.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1567   -2.0034    1.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1818   -3.7749    3.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3507   -3.3779    3.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2540   -4.5899    3.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5602   -3.7903    5.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085   -4.9760    5.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7078    1.2153    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4066   -0.0059   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4049    2.4324    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9247   -0.8868    0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5133    3.3186    0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1312    1.2139    0.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4328   -5.9349    7.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4737   -4.2499    7.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9173    3.3197    0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 17  1  0  0  0  0
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  3  5  2  0  0  0  0
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  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  2  0  0  0  0
  6 22  1  0  0  0  0
  7 10  2  0  0  0  0
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  8 23  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  2  0  0  0  0
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 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 27  1  0  0  0  0
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 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  CHG  1  12   1
M  END
>  <NSC>
20208

>  <CAS_RN>
63906-19-4

$$$$
20210
  Marvin  03121014323D          

 40 41  0  0  0  0            999 V2000
    5.6129    1.6769    4.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2670    0.8441    3.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0912    2.0392    4.6061 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5461    3.0019    5.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690    2.7493    3.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2920    0.7705    4.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7009    2.5831    7.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5070    3.8823    3.1763 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3661    2.1808    2.1590 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2306    0.0219    5.5940 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6445    0.3301    3.4922 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830    2.7842    0.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1756    3.4601    0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0973    0.4230    1.3610 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
>  <NSC>
20210

>  <CAS_RN>
999-99-9

$$$$
20240
  Marvin  03121014323D          

 45 45  0  0  0  0            999 V2000
    0.3755    2.0804    0.7375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3464    0.8320    0.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1893   -0.1879   -0.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0467    4.0151    1.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3288    3.0066    2.9359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6190   -1.4521   -0.3685 N   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5097    4.1116   -0.2625 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0272   -2.4850   -3.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6692   -0.9697   -3.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4 21  1  0  0  0  0
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  5  8  1  0  0  0  0
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  6 10  2  0  0  0  0
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 10 16  1  0  0  0  0
 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
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 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
M  END
>  <NSC>
20240

>  <CAS_RN>
75352-37-3

$$$$
20958
  Marvin  03121014323D          

 25 24  0  0  0  0            999 V2000
    1.5089   -0.7133   -1.7326 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9821   -0.2062   -2.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0904   -0.3374   -0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3936   -1.6499   -1.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0238    0.7058   -3.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4765   -0.5627   -4.0347 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6565    1.0652    0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8877   -3.1111   -1.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4045    0.2814   -2.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7482    1.9850   -3.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1784   -0.3809   -0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8124   -1.0479    0.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902   -1.4787   -2.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2143   -1.5226   -0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9652    1.8359   -0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5712    1.1017    0.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1210    1.2817    0.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9784    0.4844   -3.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4829   -0.7871   -2.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8574    0.8265   -2.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756    2.6541   -3.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8137    2.2946   -3.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
M  END
>  <NSC>
20958

>  <CAS_RN>
5441-99-6

$$$$
21239
  Marvin  03121014323D          

 27 28  0  0  0  0            999 V2000
    2.3228    2.6614    0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172    1.1925   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4841    3.0590    1.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8203    0.6367    0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2170    0.3215   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7644    3.0683    2.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3566    3.3931    2.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276   -0.7606    0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0257   -1.0703   -0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9127    3.3947    3.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5046    3.7187    3.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6094   -1.2746    0.2038 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7354   -1.6133   -0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    3.7239    4.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2015    2.9679   -0.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4777    3.1877   -0.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7486   -2.2344    0.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3680   -0.6854    0.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6085   -2.6288   -0.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8907    3.9627    5.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  5  9  2  0  0  0  0
  5 18  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  2  0  0  0  0
  7 20  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
 10 14  2  0  0  0  0
 10 22  1  0  0  0  0
 11 14  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
>  <NSC>
21239

>  <CAS_RN>
6955-30-2

$$$$
21255
  Marvin  03121014323D          

 41 42  0  0  1  0            999 V2000
   -1.3054   -0.0818    5.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5507   -1.3872    5.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4071   -0.1544    3.4817 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3492   -1.1697    7.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141   -1.2773    2.7838 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9971    1.2115    2.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8564   -0.3969    3.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3729   -0.5964    8.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241   -1.5157    7.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6336   -1.2743    1.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9932   -1.2785    3.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1592    1.6572    3.1690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8451    2.0514    2.3431 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4176   -1.4871    3.3802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6227    0.5153    2.4728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1787   -0.3848    9.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9581   -0.7396   10.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8668    2.5238    1.4847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0149    0.6728    5.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6362   -1.9224    7.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6858   -1.2304    0.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1538   -0.3778    0.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1236   -1.1864    4.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4671   -2.2173    2.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5236    2.9224    2.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5467    0.2959    2.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9257    0.0269   10.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9609   -1.5521    9.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4075   -3.4299    0.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3263   -2.4845   -0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0543   -2.4934    0.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -0.5877   11.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 22  1  0  0  0  0
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  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
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 18 40  1  0  0  0  0
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 20 41  1  0  0  0  0
M  END
>  <NSC>
21255

>  <CAS_RN>
6315-34-0

$$$$
21469
  Marvin  03121014323D          

 16 16  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
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  3  6  1  0  0  0  0
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  8 16  1  0  0  0  0
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M  END
>  <NSC>
21469

>  <CAS_RN>
1570-65-6

$$$$
21807
  Marvin  03121014323D          

 43 43  0  0  1  0            999 V2000
    0.9428   -0.8517   -2.2708 O   0  0  0  0  0  0  0  0  0  0  0  0
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 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
M  END
>  <NSC>
21807

>  <CAS_RN>
5436-98-6

$$$$
21810
  Marvin  03121014323D          

 46 46  0  0  1  0            999 V2000
    1.7757   -0.7516   -1.7669 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0798   -2.0161   -1.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1807    0.8347   -3.6920 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
21810

>  <CAS_RN>
999-99-9

$$$$
22006
  Marvin  03121014323D          

 38 39  0  0  1  0            999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
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  7  8  1  0  0  0  0
  9 21  1  0  0  0  0
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 10 13  1  0  0  0  0
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 11 14  1  0  0  0  0
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 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
>  <NSC>
22006

>  <CAS_RN>
999-99-9

$$$$
22013
  Marvin  03121014323D          

 46 46  0  0  1  0            999 V2000
   -1.9597    1.1667    0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
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 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
M  END
>  <NSC>
22013

>  <CAS_RN>
6315-98-6

$$$$
22016
  Marvin  03121014323D          

 49 49  0  0  1  0            999 V2000
   -1.9442    1.1807    0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6071    1.0484   -0.0933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6038    0.3232    0.7647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6437    2.3652   -0.3964 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2162   -0.0563    0.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5361    2.1448   -1.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8694    3.5786   -0.4425 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720    0.2323   -0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964    1.4130   -2.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
M  END
>  <NSC>
22016

>  <CAS_RN>
999-99-9

$$$$
22019
  Marvin  03121014323D          

 59 60  0  0  1  0            999 V2000
   -1.9477    1.2810    0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6512    1.0104   -0.1952 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
22019

>  <CAS_RN>
999-99-9

$$$$
22027
  Marvin  03121014323D          

 44 45  0  0  0  0            999 V2000
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M  END
>  <NSC>
22027

>  <CAS_RN>
6974-90-9

$$$$
22534
  Marvin  03121014323D          

 38 39  0  0  0  0            999 V2000
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M  END
>  <NSC>
22534

>  <CAS_RN>
999-99-9

$$$$
22535
  Marvin  03121014323D          

 84 89  0  0  0  0            999 V2000
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M  END
>  <NSC>
22535

>  <CAS_RN>
6316-37-6

$$$$
22546
  Marvin  03121014323D          

 45 46  0  0  1  0            999 V2000
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M  END
>  <NSC>
22546

>  <CAS_RN>
6316-48-9

$$$$
22550
  Marvin  03121014323D          

 27 27  0  0  0  0            999 V2000
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M  CHG  2   1   1   3  -1
M  END
>  <NSC>
22550

>  <CAS_RN>
6316-52-5

$$$$
22554
  Marvin  03121014323D          

 32 33  0  0  0  0            999 V2000
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M  END
>  <NSC>
22554

>  <CAS_RN>
6316-54-7

$$$$
22566
  Marvin  03121014323D          

 60 60  0  0  1  0            999 V2000
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M  END
>  <NSC>
22566

>  <CAS_RN>
6316-60-5

$$$$
22570
  Marvin  03121014323D          

 52 53  0  0  0  0            999 V2000
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 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
M  END
>  <NSC>
22570

>  <CAS_RN>
6316-62-7

$$$$
22571
  Marvin  03121014323D          

 30 31  0  0  1  0            999 V2000
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 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
>  <NSC>
22571

>  <CAS_RN>
6316-63-8

$$$$
22625
  Marvin  03121014323D          

 33 34  0  0  0  0            999 V2000
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 18 32  1  0  0  0  0
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 20 33  1  0  0  0  0
M  END
>  <NSC>
22625

>  <CAS_RN>
7251-70-9

$$$$
22640
  Marvin  03121014323D          

 37 38  0  0  0  0            999 V2000
   -0.2411    0.1669    0.1665 S   0  0  0  0  0  0  0  0  0  0  0  0
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 21 37  1  0  0  0  0
M  END
>  <NSC>
22640

>  <CAS_RN>
5460-19-5

$$$$
22641
  Marvin  03121014323D          

 37 38  0  0  0  0            999 V2000
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   -1.6384    4.8630    0.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966    0.8855   -5.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6675   -1.4422   -5.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2745    0.6048   -7.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 26  1  0  0  0  0
  6  9  1  0  0  0  0
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  7 11  2  0  0  0  0
  7 27  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 28  1  0  0  0  0
 10 15  2  0  0  0  0
 10 29  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
>  <NSC>
22641

>  <CAS_RN>
5460-20-8

$$$$
22652
  Marvin  03121014323D          

 38 39  0  0  0  0            999 V2000
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   -0.1010   -1.8390    0.0672 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1096   -0.5787   -2.0788 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2263    0.1442   -1.1835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0575    0.8417    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1094   -1.8808    1.3148 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2079    0.4511    1.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5692    2.1562    0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3068   -2.9650    1.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8638    1.3619    1.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5182   -2.9954    3.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6248    5.5840    2.0447 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2675   -3.1972    7.4711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843   -2.6662   -0.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2687    2.4581   -0.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0285   -0.9637    3.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0632   -5.0549    3.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6055    3.0134    3.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4511   -1.0986    6.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4774   -5.1577    5.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4002    5.2444    4.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9179    5.0225    4.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9973    6.5292    3.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4078   -3.4318    7.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2 24  1  0  0  0  0
  5  7  2  0  0  0  0
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 10 13  2  0  0  0  0
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 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
>  <NSC>
22652

>  <CAS_RN>
92852-97-6

$$$$
22709
  Marvin  03121014323D          

 13 14  0  0  0  0            999 V2000
    0.8260   -0.5664   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5714    0.5570    0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3494    1.7403    2.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9494   -0.3587    3.0262 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0060    2.8746    2.1429 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969    1.4518    4.0828 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8504    0.2070    4.1962 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7888   -0.5473   -0.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391    3.7046    0.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    2.0684    4.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <NSC>
22709

>  <CAS_RN>
2683-90-1

$$$$
22742
  Marvin  03121014323D          

 17 18  0  0  0  0            999 V2000
   -3.2306   -2.8117   -0.3312 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3646   -1.4805   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552   -0.6150   -0.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6108   -0.9542   -0.0503 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    0.7557   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9451   -0.9604   -0.4094 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8204    0.3869    0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9743    1.5569   -0.2234 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7745    1.2520    0.0238 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0584    0.0660   -0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3970   -0.0431   -0.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3538   -3.2099   -0.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0167   -3.3778   -0.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7651    0.7483    0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8535   -0.0531    0.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7871    0.8023   -1.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490   -0.9682   -1.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
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  7 14  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <NSC>
22742

>  <CAS_RN>
999-99-9

$$$$
22747
  Marvin  03121014323D          

 21 21  0  0  0  0            999 V2000
   -1.7916   -0.8840    5.4087 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2514   -1.7443    5.9844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6791   -0.2466    6.0546 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4890   -0.5903    4.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2283    0.7419    3.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3894   -1.6047    3.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2461    1.9169    4.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9047    0.9747    2.4067 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6195   -2.9076    3.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0564   -1.2923    1.8730 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8129   -0.0180    1.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3581    0.3411   -0.1564 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640    0.3159   -0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5893    1.7395    5.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8991    2.8162    4.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2599    2.1039    4.9617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5230   -3.5624    2.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8790   -3.1990    4.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8549    0.5331   -1.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8054   -0.6708    0.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8285    1.0662    0.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  2  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
>  <NSC>
22747

>  <CAS_RN>
999-99-9

$$$$
23035
  Marvin  03121014323D          

 35 36  0  0  1  0            999 V2000
   -2.2566   -0.5602   -0.8995 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7553   -0.9319   -0.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9440   -1.3474   -1.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0797   -0.5809    0.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0146   -0.0169    0.3728 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6933   -2.7256   -2.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9107   -0.7123   -2.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6212    0.6204    0.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3243   -1.7857    1.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4175   -0.5187    0.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0583    1.3296   -0.0978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3653   -3.4343   -3.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5868   -1.4191   -3.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3604    0.6218    2.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0697   -1.7865    2.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3122   -2.7814   -4.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5838   -0.5818    2.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2045    0.4706   -1.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2174   -0.8870   -1.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6892   -1.9581   -0.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5608   -0.0130    1.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230   -3.2369   -1.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1372    0.2765   -2.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4785    1.5110    0.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9616   -2.6757    0.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8886    0.1216    1.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0279   -0.5080   -0.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -1.5372    1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8656    1.6582   -0.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1671   -4.4268   -3.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2804   -0.9433   -4.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7353    1.4992    2.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375   -2.6635    2.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8023   -3.2985   -4.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1196   -0.5803    3.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 18  1  0  0  0  0
  2  5  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
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M  END
>  <NSC>
23035

>  <CAS_RN>
36317-60-9

$$$$
23303
  Marvin  03121014323D          

 33 34  0  0  0  0            999 V2000
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M  END
>  <NSC>
23303

>  <CAS_RN>
5455-12-9

$$$$
23372
  Marvin  03121014323D          

 64 63  0  0  0  0            999 V2000
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M  END
>  <NSC>
23372

>  <CAS_RN>
999-99-9

$$$$
23373
  Marvin  03121014323D          

 51 52  0  0  0  0            999 V2000
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M  END
>  <NSC>
23373

>  <CAS_RN>
5462-57-7

$$$$
23374
  Marvin  03121014323D          

 70 69  0  0  0  0            999 V2000
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M  END
>  <NSC>
23374

>  <CAS_RN>
999-99-9

$$$$
23375
  Marvin  03121014323D          

 82 81  0  0  0  0            999 V2000
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 32 81  1  0  0  0  0
 32 82  1  0  0  0  0
M  END
>  <NSC>
23375

>  <CAS_RN>
5455-57-2

$$$$
23429
  Marvin  03121014323D          

 28 29  0  0  1  0            999 V2000
    1.2938   -2.3248   -1.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
>  <NSC>
23429

>  <CAS_RN>
18477-08-2

$$$$
23552
  Marvin  03121014323D          

 40 40  0  0  0  0            999 V2000
    2.3469    2.9067    3.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2218    1.9874    4.3343 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    4.0034    4.4288 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5981    2.6242    2.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9870    0.9635    5.7699 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1585    3.2620    1.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1891    1.1811    4.7708 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9927    1.6447   -0.5151 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 14  1  0  0  0  0
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 13 30  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 35  1  0  0  0  0
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 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
M  END
>  <NSC>
23552

>  <CAS_RN>
5458-37-7

$$$$
23995
  Marvin  03121014323D          

 30 30  0  0  0  0            999 V2000
   -0.5352   -1.2282   -0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9120   -1.7578    0.9261 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1435    0.0760   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5146   -2.9686    1.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5877    1.2866   -0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5521    0.1295   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9109   -3.3626    2.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7557   -3.7307    0.1815 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0795    2.5208    0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2183    1.3609    0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6180   -2.6933    3.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828    2.5581    0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1006   -3.0036    4.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1505   -3.8592    5.0090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714   -2.4098    5.7826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7455   -4.1689    6.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7849   -5.0144    6.1849 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
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  5 21  1  0  0  0  0
  6 10  2  0  0  0  0
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  7 11  2  0  0  0  0
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 10 12  1  0  0  0  0
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 11 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 14 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
>  <NSC>
23995

>  <CAS_RN>
999-99-9

$$$$
24224
  Marvin  03121014323D          

 55 56  0  0  0  0            999 V2000
    0.1155   -0.5880   -0.4010 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0548   -2.0363   -0.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2522   -0.2652   -0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
24224

>  <CAS_RN>
5459-24-5

$$$$
25588
  Marvin  03121014323D          

 48 49  0  0  0  0            999 V2000
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M  END
>  <NSC>
25588

>  <CAS_RN>
536-43-6

$$$$
26045
  Marvin  03121014323D          

 16 17  0  0  0  0            999 V2000
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M  END
>  <NSC>
26045

>  <CAS_RN>
6374-92-1

$$$$
27666
  Marvin  03121014323D          

 35 36  0  0  1  0            999 V2000
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M  END
>  <NSC>
27666

>  <CAS_RN>
999-99-9

$$$$
27957
  Marvin  03121014323D          

 69 75  0  0  1  0            999 V2000
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M  END
>  <NSC>
27957

>  <CAS_RN>
5470-63-3

$$$$
28064
  Marvin  03121014323D          

 30 32  0  0  1  0            999 V2000
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M  END
>  <NSC>
28064

>  <CAS_RN>
7583-78-0

$$$$
28118
  Marvin  03121014323D          

106112  0  0  1  0            999 V2000
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M  END
>  <NSC>
28118

>  <CAS_RN>
999-99-9

$$$$
28376
  Marvin  03121014323D          

 26 26  0  0  0  0            999 V2000
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 13 26  1  0  0  0  0
M  END
>  <NSC>
28376

>  <CAS_RN>
50868-75-2

$$$$
28379
  Marvin  03121014323D          

 31 32  0  0  0  0            999 V2000
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 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
M  CHG  1   1   1
M  END
>  <NSC>
28379

>  <CAS_RN>
5472-58-2

$$$$
28385
  Marvin  03121014323D          

 37 38  0  0  1  0            999 V2000
   -1.4426   -1.9831    1.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -0.7901    2.3345 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.5539    1.8246    2.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9812    1.2191    2.9988 N   0  3  2  0  0  0  0  0  0  0  0  0
    0.9692    2.1119    2.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3641    1.8935    2.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
M  CHG  1   7   1
M  END
>  <NSC>
28385

>  <CAS_RN>
999-99-9

$$$$
28390
  Marvin  03121014323D          

 35 37  0  0  0  0            999 V2000
   -5.3809   -0.5139   -3.7607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7099    0.5465   -3.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  2  0  0  0  0
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 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
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 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
>  <NSC>
28390

>  <CAS_RN>
999-99-9

$$$$
29412
  Marvin  03121014323D          

 30 32  0  0  1  0            999 V2000
   -2.5887   -0.5696    0.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5525    0.7932   -0.3883 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.2986    0.1158    0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4891    3.3755   -1.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
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 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
>  <NSC>
29412

>  <CAS_RN>
999-99-9

$$$$
29723
  Marvin  03121014323D          

 53 53  0  0  0  0            999 V2000
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   -1.0358   -1.7466    0.9134 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3842   -0.0492   -0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8905   -3.0779    2.6664 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0837    1.1561    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4648   -4.0167    7.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2913   -6.9788    9.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
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  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
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  5 32  1  0  0  0  0
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  6 33  1  0  0  0  0
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  9 12  2  0  0  0  0
  9 35  1  0  0  0  0
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 10 36  1  0  0  0  0
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 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 14 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
M  END
>  <NSC>
29723

>  <CAS_RN>
4811-37-4

$$$$
31254
  Marvin  03121014323D          

 15 15  0  0  1  0            999 V2000
   -2.7278   -1.3529   -1.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0675   -0.8352   -0.1935 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6706   -1.0828   -0.1896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200    0.7043    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0302   -0.0017    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516    1.0380    0.1360 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7247    0.0420    0.1524 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6108   -2.4369   -1.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7948   -1.1210   -1.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2707   -0.8952   -2.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5177   -1.3422    0.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5512    1.2314   -0.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6595    0.9789    0.9147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4266    1.9398    0.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
>  <NSC>
31254

>  <CAS_RN>
2122-19-2

$$$$
31909
  Marvin  03121014323D          

 35 35  0  0  0  0            999 V2000
    2.3390   -0.1033   -1.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1984    0.8146   -0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5879    0.6535   -1.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0630    0.0975   -0.1373 N   0  0  1  0  0  0  0  0  0  0  0  0
    4.6507    0.8367   -0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    1.2019   -2.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0085    0.9881    0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7520   -0.6012   -1.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6112    0.2581    0.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8009    1.5724   -0.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7196    0.9956   -3.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8956    1.9389   -3.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9364    2.1351   -2.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1642    2.8822   -2.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5438   -0.8562   -0.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9839   -0.6766   -1.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9599    1.5786   -1.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5990    1.3371    0.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342    1.4126    1.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8841    0.4313    0.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3505    1.8061   -0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9140    0.0793   -2.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5909   -0.8317    0.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5658    1.6980   -0.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9461    3.6526   -3.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8942    2.1866   -2.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
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  2 17  1  0  0  0  0
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  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 13  2  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
M  END
>  <NSC>
31909

>  <CAS_RN>
5336-58-3

$$$$
31935
  Marvin  03121014323D          

 42 43  0  0  1  0            999 V2000
    1.4995    1.9421   -0.7879 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2401    2.3350   -2.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4016    3.0955    0.1797 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1865    1.2378   -1.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5938    2.8999   -1.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5018    2.7838    1.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795    4.2901   -0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8709    1.8160   -1.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0334   -0.0435   -0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8558    4.2885   -1.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6384    2.0433   -1.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1282    1.1777   -1.8869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2693   -0.6993   -0.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1223    4.8227   -1.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9016    2.5578   -1.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2201    1.8373   -2.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3159   -0.0863   -1.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3950    6.2786   -1.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1421    3.9401   -1.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1791    1.2173   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3572    1.4537   -2.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6409    3.0469   -2.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5220    3.0015    1.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2923    1.7323    1.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8217    3.3895    2.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9045    5.1475    0.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4714    4.0983    0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6800    4.5701   -1.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    2.7214   -2.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070   -0.5132    0.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1129    4.9206   -2.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4823    1.0345   -1.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4085   -1.6213   -0.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6437    1.9251   -0.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1509    1.2652   -2.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4099    2.8279   -2.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9287    1.9451   -3.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2147   -0.5705   -1.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1246    6.4777   -2.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4918    6.8528   -1.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7966    6.6320   -0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0666    4.2996   -0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 20  1  0  0  0  0
  2  5  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  0  0  0  0
  9 13  2  0  0  0  0
  9 30  1  0  0  0  0
 10 14  1  0  0  0  0
 10 31  1  0  0  0  0
 11 15  2  0  0  0  0
 11 32  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 17  1  0  0  0  0
 13 33  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 19  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
M  END
>  <NSC>
31935

>  <CAS_RN>
6319-92-2

$$$$
31995
  Marvin  03121014323D          

 30 32  0  0  1  0            999 V2000
    0.4811   -3.4541    0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2503   -4.0473   -0.7594 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7742   -3.8452    0.1627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0382   -2.3585    0.9258 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7723   -1.1773    0.1629 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1069   -2.8051    1.9784 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1185   -1.1349    0.9906 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0050    0.1106    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6640   -1.4410    2.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2915   -3.3450    1.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9017   -2.3302    0.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6294    1.3817   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4148    0.0971   -0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1088    2.5748   -0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
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  4 18  1  0  0  0  0
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  8 12  2  0  0  0  0
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  9 22  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
>  <NSC>
31995

>  <CAS_RN>
6319-19-3

$$$$
33652
  Marvin  03121014323D          

 40 41  0  0  1  0            999 V2000
    1.9630    2.2532    3.4205 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8220    3.0753    4.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8632    1.5188    2.4840 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7536    4.0293    3.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    0.7157    1.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4661    0.2933    4.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3965    1.4385    3.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0904    3.6532    3.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3214    5.3246    3.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5680   -0.5741    5.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END
>  <NSC>
33652

>  <CAS_RN>
999-99-9

$$$$
34040
  Marvin  03121014323D          

 33 34  0  0  0  0            999 V2000
   -1.3517    1.5886    1.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9638    2.9479    0.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5916    4.0184    1.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9614    3.2339   -0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7416    0.2519    1.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5622    3.8977    2.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2099    5.2244    1.6916 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5276    4.4629   -0.0806 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6993    1.6819   -1.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6740    6.6821   -0.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
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 10 26  1  0  0  0  0
 11 14  1  0  0  0  0
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 13 15  1  0  0  0  0
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 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
>  <NSC>
34040

>  <CAS_RN>
29228-83-9

$$$$
35040
  Marvin  03121014323D          

 45 46  0  0  1  0            999 V2000
   -2.1736    0.7192    1.1936 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1990    1.7149    0.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6987    0.9037    2.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8890   -0.1300    3.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9853    2.0572    3.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4866    2.5198    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
35040

>  <CAS_RN>
999-99-9

$$$$
35046
  Marvin  03121014323D          

 63 64  0  0  1  0            999 V2000
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M  END
>  <NSC>
35046

>  <CAS_RN>
999-99-9

$$$$
37356
  Marvin  03121014323D          

 46 50  0  0  1  0            999 V2000
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M  END
>  <NSC>
37356

>  <CAS_RN>
7401-09-4

$$$$
37508
  Marvin  03121014323D          

 38 38  0  0  0  0            999 V2000
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   -0.1783   -0.7604   -0.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1505   11.8483    3.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3707   10.7961    4.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5579   11.1619    2.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1191   -0.9868    0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9610    0.5383   -0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9388    0.5425    0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  2  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 11  2  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END
>  <NSC>
37508

>  <CAS_RN>
6337-68-4

$$$$
37782
  Marvin  03121014323D          

 46 44  0  0  0  0            999 V2000
   -7.5147    0.0913    0.2975 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7932   -0.5008    1.7578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2518    1.6682    0.3629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8642   -0.2177   -0.6999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1574   -0.6900   -0.3794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6100    0.1357   -1.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4238   -0.4868    0.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0692    1.7728   -2.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1884    0.8737   -1.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4462    2.3374   -3.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8865    0.3812    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.9070   -4.1006 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9812   -0.5842    0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3739    3.6493   -5.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7219   -1.0732    1.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4781    4.0535   -5.7116 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2583    3.9799   -5.8200 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8246   -2.0466    2.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.5587    3.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7266   -3.5280    4.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5473   -4.0642    5.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1511    1.1847   -2.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8734    2.6116   -1.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3132    0.0008   -2.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1306    1.4291   -1.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8427    1.5386   -4.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2287    3.0907   -3.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8165    1.2497    0.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9206   -0.1333    0.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4348    2.6915   -3.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0384   -1.4543   -0.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9476   -0.0727    0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6817   -0.2064    2.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7545   -1.5798    2.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4859    4.5668   -6.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2938    4.5237   -6.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4017    3.6781   -5.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8649   -2.9084    1.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7915   -1.5375    2.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -3.0777    3.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5639   -1.7052    4.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6891   -3.0113    4.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7626   -4.3825    3.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6120   -4.6202    5.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5428   -3.2410    6.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3742   -4.7348    6.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
M  END
>  <NSC>
37782

>  <CAS_RN>
7248-97-7

$$$$
37848
  Marvin  03121014323D          

 20 19  0  0  0  0            999 V2000
   -4.3304    0.0000    0.0000 B   0  6  0  0  0  0  0  0  0  0  0  0
   -4.3304    0.0000    1.4810 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3304    0.0000   -1.4810 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0709    1.2826    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0709   -1.2826    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1304   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9013   -2.0629   -0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3511   -3.0186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5281   -0.9753   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9400   -0.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8265    0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6464    0.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5300    1.4675   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9017    0.2468    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.9371    1.4674   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0044    0.2453   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4533   -1.8638   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    0.2603   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197    2.3513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4394    2.3602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  3  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  3  0  0  0  0
 15 20  1  0  0  0  0
M  CHG  3   1  -2   7   1  14   1
M  END
>  <NSC>
37848

>  <CAS_RN>
2265-98-7

$$$$
38115
  Marvin  03121014323D          

 30 31  0  0  0  0            999 V2000
   -2.4138    0.1694   -0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.8626    0.4030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4346    1.0553   -0.6034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580    0.3957   -0.4085 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9728    2.0520    0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8840    0.9645   -1.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899   -0.5789    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6203    1.5067   -1.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5422    2.1720    1.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9242    2.9606   -0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8228    1.8806   -2.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3619   -0.0507    0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8718    1.8991   -1.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3362    2.8848   -1.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7084    0.7380   -0.9786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5225    0.2396   -2.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3632   -0.9584    1.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1023   -1.4221   -0.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1997    2.4120   -1.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8009    1.2232   -2.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7684    1.2517    2.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0376    2.9938    2.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4674    2.3517    1.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3206    3.6954    0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1284    1.8221   -3.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4902    0.5333    1.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0495   -0.8973    0.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0100    2.5580   -0.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1865    2.4536   -1.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0097    3.5607   -1.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 16  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  2  0  0  0  0
 10 24  1  0  0  0  0
 11 14  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
>  <NSC>
38115

>  <CAS_RN>
22978-34-3

$$$$
38187
  Marvin  03121014323D          

 22 22  0  0  1  0            999 V2000
    1.6145    3.5599   -5.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5179    2.5603   -6.7191 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    2.8968   -3.6835 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7638    1.8799   -8.7397 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7673    3.6545   -2.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2324    2.8556   -3.6067 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2965    3.0256   -1.2383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7180    2.2180   -2.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1440    2.9332   -1.1516 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4933    2.1859    0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6066    0.2087    0.2251 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    1.9324   -1.8565    0.5980 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3517    4.6197   -5.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6892    3.4592   -5.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015    1.8743   -3.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581    3.6158   -2.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4646    4.7072   -2.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8079    2.2817   -2.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450    1.1588   -2.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5740    3.9391   -1.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5677    2.0082    0.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1810    2.7823    1.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
38187

>  <CAS_RN>
6339-08-8

$$$$
38495
  Marvin  03121014323D          

 39 40  0  0  1  0            999 V2000
    2.0859    3.9599    0.0320 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.0136    5.6082    1.6234 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3226    4.1602    2.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0872    4.5248   -2.2710 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3586    3.8179   -0.5115 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1359    2.4655   -0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 21  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 23  1  0  0  0  0
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  9 15  1  0  0  0  0
  9 24  1  0  0  0  0
 10 16  2  0  0  0  0
 10 25  1  0  0  0  0
 11 17  1  0  0  0  0
 11 26  1  0  0  0  0
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 13 28  1  0  0  0  0
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 14 33  1  0  0  0  0
 15 19  2  0  0  0  0
 15 34  1  0  0  0  0
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 16 35  1  0  0  0  0
 17 20  2  0  0  0  0
 17 36  1  0  0  0  0
 18 20  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
>  <NSC>
38495

>  <CAS_RN>
999-99-9

$$$$
38755
  Marvin  03121014323D          

 39 39  0  0  0  0            999 V2000
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 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
M  END
>  <NSC>
38755

>  <CAS_RN>
21257-15-8

$$$$
39480
  Marvin  03121014323D          

 86 88  0  0  0  0            999 V2000
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 45 84  1  0  0  0  0
 45 85  1  0  0  0  0
 45 86  1  0  0  0  0
M  END
>  <NSC>
39480

>  <CAS_RN>
999-99-9

$$$$
39482
  Marvin  03121014323D          

 68 75  0  0  0  0            999 V2000
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 38 67  1  0  0  0  0
 40 68  1  0  0  0  0
M  CHG  2   3   1   6   1
M  END
>  <NSC>
39482

>  <CAS_RN>
999-99-9

$$$$
39741
  Marvin  03121014323D          

 28 29  0  0  0  0            999 V2000
    6.5133    0.8713    1.6758 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
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 15 25  1  0  0  0  0
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 16 28  1  0  0  0  0
M  END
>  <NSC>
39741

>  <CAS_RN>
6953-81-7

$$$$
40393
  Marvin  03121014323D          

 15 15  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
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  4  7  1  0  0  0  0
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 10 14  1  0  0  0  0
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M  END
>  <NSC>
40393

>  <CAS_RN>
6312-72-7

$$$$
41432
  Marvin  03121014323D          

 37 38  0  0  0  0            999 V2000
   -0.4096   -1.5306   -0.1029 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.5061   -2.3921   -0.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0242   -1.7763    1.7837 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1226   -1.2602    1.8474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0533   -3.3178   -1.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0434    1.5925   -3.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
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 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
>  <NSC>
41432

>  <CAS_RN>
999-99-9

$$$$
41433
  Marvin  03121014323D          

 21 23  0  0  0  0            999 V2000
   -2.6626    0.4862    0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7805    1.5851    0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
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 14 21  1  0  0  0  0
M  END
>  <NSC>
41433

>  <CAS_RN>
6303-92-0

$$$$
41434
  Marvin  03121014323D          

 23 25  0  0  0  0            999 V2000
   -2.7350    2.8779    0.1334 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2484    2.1390    0.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2769    4.2059   -0.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9761    0.4421   -1.1241 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4800    1.9830    2.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3437    6.5686   -1.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
>  <NSC>
41434

>  <CAS_RN>
90766-15-7

$$$$
41435
  Marvin  03121014323D          

 33 34  0  0  0  0            999 V2000
    1.0437   -2.8685   -0.0879 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4474   -4.0250   -0.1351 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
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  7 12  1  0  0  0  0
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 10 11  1  0  0  0  0
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 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
>  <NSC>
41435

>  <CAS_RN>
6963-60-6

$$$$
41436
  Marvin  03121014323D          

 21 21  0  0  0  0            999 V2000
   -2.8818   -2.3717   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1331   -2.3922   -0.2208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2636   -3.5776   -0.1112 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7198    2.5780   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6497    1.2457    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5078   -0.0393    0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9671    2.6811   -0.1924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241    3.7405   -0.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8066    0.1364   -0.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2346   -2.0726    0.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0979    2.1048    0.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4918    4.6005   -0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
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  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
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 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
>  <NSC>
41436

>  <CAS_RN>
499-49-0

$$$$
41437
  Marvin  03121014323D          

 26 26  0  0  1  0            999 V2000
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    1.7203    0.9242   -0.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
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  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
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 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 24  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
>  <NSC>
41437

>  <CAS_RN>
6303-93-1

$$$$
41438
  Marvin  03121014323D          

 32 32  0  0  0  0            999 V2000
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  3  6  1  0  0  0  0
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  4  7  2  0  0  0  0
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 11 13  1  0  0  0  0
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 15 19  1  0  0  0  0
 17 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
>  <NSC>
41438

>  <CAS_RN>
4638-46-4

$$$$
41439
  Marvin  03121014323D          

 34 34  0  0  0  0            999 V2000
    0.2184    2.0223   -1.3128 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8444    3.3078   -0.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819    0.8269   -0.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6762    1.9383   -2.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8460    3.4498    0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5275   -0.0973   -1.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5059    0.8036   -2.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7987    2.9816   -3.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3463    4.7814    0.2626 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7935   -1.2863   -0.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3658    0.6753   -3.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4277    1.7502   -4.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7298    3.9891   -5.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1266    5.8708   -5.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 10 31  1  0  0  0  0
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 15 18  2  0  0  0  0
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 17 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
>  <NSC>
41439

>  <CAS_RN>
6303-94-2

$$$$
41440
  Marvin  03121014323D          

 38 38  0  0  0  0            999 V2000
   -4.8234    0.0993   -0.8480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2123   -0.5863   -1.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5903    0.3639    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0274   -1.7756   -4.4574 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.0920    2.4835   -1.1714 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7724    1.3970    2.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 12  2  0  0  0  0
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 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
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 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 32  1  0  0  0  0
 15 18  1  0  0  0  0
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 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END
>  <NSC>
41440

>  <CAS_RN>
6303-95-3

$$$$
41847
  Marvin  03121014323D          

 41 44  0  0  1  0            999 V2000
    0.1049    0.7736    4.9543 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6950    1.3473    6.1224 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.3566    1.4960    7.2329 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5661    3.0707    4.5377 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1674    3.6894    6.3673 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2396    1.2808    8.5141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8420    2.9599    7.0850 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7661    2.8700    3.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7619    3.5498    3.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961    3.1183    6.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9386    2.3986    4.4605 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5425    4.4985    6.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6874    1.0734    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2573    0.1149    1.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1827   -0.3150    1.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
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  2 27  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 28  1  0  0  0  0
  4  7  1  0  0  0  0
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  4 29  1  0  0  0  0
  5  9  1  0  0  0  0
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  6  8  1  0  0  0  0
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 10 14  2  0  0  0  0
 10 32  1  0  0  0  0
 11 15  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 16  1  0  0  0  0
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 13 17  2  0  0  0  0
 15 35  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 19  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
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 21 22  2  0  0  0  0
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 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END
>  <NSC>
41847

>  <CAS_RN>
999-99-9

$$$$
41878
  Marvin  03121014323D          

  6  5  0  0  0  0            999 V2000
    0.2541    0.0022    0.3452 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9361   -0.8598   -1.9676 Na  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0440    1.5113    0.0672 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7066   -0.2081   -0.1929 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9863    1.6307    0.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8676   -1.1722   -0.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <NSC>
41878

>  <CAS_RN>
999-99-9

$$$$
42012
  Marvin  03121014323D          

 24 24  0  0  0  0            999 V2000
    3.3963   -2.4566    5.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3311   -2.7496    4.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3535   -3.1148    6.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4316   -1.4853    4.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782   -0.9140    3.4967 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4117   -1.0743    5.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5914    0.0330    3.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4920   -0.1025    5.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7403    0.7778    1.5208 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6070    0.4250    3.9411 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5139    0.3146    5.9844 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.2716    0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7651    0.2885   -1.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0546   -0.5561   -2.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0277   -3.7949    6.4777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3261   -1.4646    6.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1134    1.0146    6.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2892   -0.2956    0.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484   -1.2840    0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3668    1.3073   -1.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0100   -0.1070   -3.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1047   -0.5926   -1.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3358   -1.5742   -2.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
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  9 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
>  <NSC>
42012

>  <CAS_RN>
16490-25-8

$$$$
43292
  Marvin  03121014323D          

 37 36  0  0  1  0            999 V2000
   -2.6976    1.3719    2.3675 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2728    1.2739    2.2798 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9197    0.5561    1.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2405    2.7937    2.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3510    0.7627    3.5592 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7772    1.8460    3.5084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0394    2.0005    1.1077 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5087    0.6028    1.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5103   -0.2804    0.6564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5748    3.3113    3.4803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3403    3.5351    1.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5568    1.3463    4.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5751    1.7440    1.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5682    1.6359   -0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1968    1.2052    2.0913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2084    3.7286    4.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8965    3.0781    1.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9793    2.1869    2.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7870    0.6720    1.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5151    1.8777   -0.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7243    0.5738   -0.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4533    4.1433    5.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9547    4.4952    4.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7049   -0.6920    3.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1901   -0.3776    5.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6519   -0.6274   -1.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 21  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 22  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
 10 17  1  0  0  0  0
 12 18  1  0  0  0  0
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 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 20  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END
>  <NSC>
43292

>  <CAS_RN>
6935-49-5

$$$$
43527
  Marvin  03121014323D          

 16 16  0  0  0  0            999 V2000
    1.3731   -0.6297    0.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0254   -0.3346    0.5163 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308    0.9877    0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7692   -1.3927    0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3011    1.9178    0.9614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7832    1.4242    0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3344   -2.5708    0.0584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1574   -1.2577   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3843    0.3654   -1.2230 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488   -1.4163    0.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0477    0.2260    0.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3362   -0.9550    2.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828    2.4568   -0.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4692    1.3413    0.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8542   -1.3457    0.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3974   -2.0241   -1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
>  <NSC>
43527

>  <CAS_RN>
6311-20-2

$$$$
43690
  Marvin  03121014323D          

 26 26  0  0  0  0            999 V2000
    2.4574   -1.0115    0.6761 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4093   -1.1818   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9110    0.1751    1.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8573   -2.4525   -0.4987 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
43690

>  <CAS_RN>
1847-84-3

$$$$
43945
  Marvin  03121014323D          

 62 70  0  0  0  0            999 V2000
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M  END
>  <NSC>
43945

>  <CAS_RN>
6936-78-3

$$$$
45005
  Marvin  03121014323D          

 63 62  0  0  1  0            999 V2000
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  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 13  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 51  1  0  0  0  0
 21 23  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 24  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 25  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
M  END
>  <NSC>
45005

>  <CAS_RN>
999-99-9

$$$$
45055
  Marvin  03121014323D          

 17 18  0  0  0  0            999 V2000
    1.1140    0.9427    0.0960 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5976   -0.0019   -0.7157 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2815   -0.8857   -1.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7115   -0.2381   -0.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3462   -1.6650   -2.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630   -1.1018   -1.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8865   -1.2549   -1.7987 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7531   -2.6895   -3.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0831   -2.1282   -2.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1353   -2.9156   -3.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1841    0.5262    1.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4290    1.6981    0.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4787    0.2799   -0.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3436   -0.5295   -1.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0652   -3.2560   -3.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0814   -2.3025   -2.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -3.6547   -3.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 14  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
>  <NSC>
45055

>  <CAS_RN>
6299-92-9

$$$$
45123
  Marvin  03121014323D          

 37 39  0  0  1  0            999 V2000
    3.7649    3.9630   -1.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2333    4.1244   -1.7749 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7323    3.8391   -0.3188 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8184    5.4860   -1.9243 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4156    3.4639   -2.9225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4431    4.6543   -0.2795 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3611    2.3971    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4240    5.2523   -1.7150 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1179    4.2864   -2.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842    3.6992    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1255    2.2984    0.4193 N   0  3  1  0  0  0  0  0  0  0  0  0
   -0.8281    1.2856   -0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3550    1.9144    1.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4570   -0.2229   -0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8706   -0.9994   -1.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2089   -1.6491   -2.2462 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0499    2.9158   -1.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0707    4.3000   -2.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3013    4.5605   -1.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4453    4.2637    0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082    3.5981   -3.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2438    2.3988   -2.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5446    5.4809    0.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9767    2.1455    0.9815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6874    1.6974   -0.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1632    6.1720   -1.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    3.6700   -2.7219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0129    4.8514   -3.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1282    4.1368    1.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4975    3.7212   -0.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566    1.5673   -1.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9109    1.3570   -0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0878    2.6445    2.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4232    1.8568    2.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0910    0.9482    2.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6206   -0.3527   -0.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9277   -0.6204    0.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 20  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  3  0  0  0  0
M  CHG  1  11   1
M  END
>  <NSC>
45123

>  <CAS_RN>
999-99-9

$$$$
45489
  Marvin  03121014323D          

 22 21  0  0  0  0            999 V2000
    2.4061   -0.1004   -1.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7228    0.6515   -1.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2889    0.8469   -0.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7622   -0.2223   -2.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0198    0.1628   -0.1717 N   0  0  1  0  0  0  0  0  0  0  0  0
    4.5896   -0.7726   -3.1397 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9359   -0.4201   -1.3833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9122    1.0794    0.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -0.5662   -1.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0562   -0.5931   -2.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6051   -0.8660   -0.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1098    1.1142   -0.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5174    1.4476   -2.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0656    1.5942   -1.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6995    1.3765    0.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6346   -0.9811   -1.7814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4184    1.5167    1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7818    0.5308    0.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2593    1.8867   -0.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0753   -1.4206   -1.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6397   -0.9615   -0.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8455    0.0853   -2.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
M  END
>  <NSC>
45489

>  <CAS_RN>
693-11-8

$$$$
46953
  Marvin  03121014323D          

 34 35  0  0  0  0            999 V2000
    0.5724   -1.3806    0.6169 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5781   -2.5612    0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7840   -1.7916   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1187   -0.1708   -0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5582    0.0266   -1.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8331    0.9664    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0228   -0.1437   -1.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6184    0.8675   -1.9289 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8805    0.6995    1.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6435    0.1937   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3378    1.5819   -1.2494 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0023    1.1941    2.1853 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1015    0.0340    0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7835    1.9920    0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7073    1.7113    2.3481 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9919    2.5427   -0.2358 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3918    2.0196    1.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3230    2.4952    2.3521 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3713   -1.1202    1.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5058   -2.2732    1.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1622   -3.4195    1.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069   -2.8661   -0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5019   -0.9694    0.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2006   -2.6550    0.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6574   -2.0589   -1.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8165    1.9530   -0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5497   -0.3208   -2.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6061   -0.1146   -0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5296    0.9220    0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2999   -0.8248    0.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5373    2.9266    0.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3336    2.5452   -1.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1153    2.5861    3.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2046    2.7449    2.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 26  1  0  0  0  0
  7 10  2  0  0  0  0
  7 27  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
>  <NSC>
46953

>  <CAS_RN>
999-99-9

$$$$
47016
  Marvin  03121014323D          

 26 25  0  0  0  0            999 V2000
    2.2892   -1.1575    0.2321 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9742   -1.3475   -1.0484 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8903   -2.8229    0.7409 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7871   -0.3046    1.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    0.1622   -1.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0139   -2.5479   -0.6516 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6508   -1.6949   -2.4615 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2943   -3.8553   -0.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7696   -3.5674    1.6144 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2210   -2.6806    1.6244 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8455    0.0500    2.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    1.1145    3.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1264   -0.6403   -0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4173    0.6434    1.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9484   -0.8228    1.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6150    0.3511   -0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7259    0.0166   -2.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6063    1.0155   -1.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0603   -3.3569   -1.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690   -4.8243   -0.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4039   -4.0148   -1.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7485    0.4272    2.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1089   -0.8441    3.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1370    1.3139    4.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.7628    4.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1135    2.0500    3.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  2  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <NSC>
47016

>  <CAS_RN>
6330-34-3

$$$$
47366
  Marvin  03121014323D          

 27 28  0  0  0  0            999 V2000
    1.6739   -0.3514   -1.0595 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7328   -0.2063    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3467   -0.5833   -2.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    0.2409    1.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334   -0.9347   -3.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0649   -0.4844   -2.8202 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5454    0.1405    2.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9872   -1.1270   -4.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6979   -1.1674   -3.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2652   -0.6918   -4.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1157   -1.4200   -5.3039 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984   -1.0059   -5.0372 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1225   -1.4553   -4.4740 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2176   -1.6454   -6.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6161   -0.3224   -0.8283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455   -1.1716    0.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0299    0.5322   -0.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7718    1.2790    1.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -0.3740    1.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0878    0.4928    3.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2421   -0.8956    2.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3456    0.7571    2.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2819   -1.1352   -2.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2374   -0.6062   -4.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8487   -0.7700   -7.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2566   -1.8182   -6.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6281   -2.5184   -6.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 14  1  0  0  0  0
 11 13  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
>  <NSC>
47366

>  <CAS_RN>
999-99-9

$$$$
48049
  Marvin  03121014323D          

 23 24  0  0  0  0            999 V2000
   -1.8509   -0.8324    0.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7170   -1.3677   -0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5259   -1.7018    1.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3362    0.4851    0.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2291   -2.6769   -0.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0352   -3.0125    1.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5220    0.8999    1.2262 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7763    1.5744   -0.9759 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8896   -3.5001    0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1267    2.1210    1.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5779    2.9419   -0.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3705    3.3240    0.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9954   -0.8144   -1.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9070   -1.3912    2.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8480   -3.0314   -1.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7819   -3.6118    2.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2593   -4.4513    0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0091    2.3792    2.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1916    1.9600    1.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9715    3.7950   -1.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3653    2.6273   -1.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3163    3.6909    1.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3594    4.1359    0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  2  0  0  0  0
  3 14  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
>  <NSC>
48049

>  <CAS_RN>
6638-35-3

$$$$
48051
  Marvin  03121014323D          

 26 27  0  0  1  0            999 V2000
    2.0481    0.1360    2.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310    0.0473    0.4881 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0078   -1.2372   -0.1570 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7891    1.3605   -0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627   -0.4846   -0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3248    1.8059   -0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6443    0.8023   -0.1384 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410   -1.2506   -0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0188   -0.6275   -0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276   -2.6721   -0.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2035   -1.3693   -0.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9087   -3.4203   -0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1486   -2.7682   -0.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3384   -0.8183    2.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7274    0.9087    2.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0344    0.3725    2.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1511   -0.2457    0.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9216    1.2051   -1.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4791    2.1541    0.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0820    2.6016   -0.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2412    2.2303    0.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1124    0.3884   -0.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8550   -3.1983   -0.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1073   -0.8929   -0.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8664   -4.4409   -0.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0075   -3.3103   -0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
>  <NSC>
48051

>  <CAS_RN>
6638-37-5

$$$$
48114
  Marvin  03121014323D          

 30 29  0  0  0  0            999 V2000
    2.4106    0.0061   -1.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    0.3378   -0.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056   -1.2623   -1.3818 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0142    0.8991   -2.0584 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4506   -0.6286   -0.1438 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9159    1.5472   -0.6006 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0876   -1.7066   -2.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7054   -0.3883    0.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035   -3.1211   -1.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5545   -1.5794    0.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8923   -4.1235   -2.7289 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -3.4833   -0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6579   -1.7272   -0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276   -2.5521    1.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4208   -1.9185   -0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -1.5536   -0.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9463   -1.1102   -1.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9734   -1.5476   -3.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2747    0.4679    0.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3709   -0.1237    1.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6025   -4.1254   -3.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996   -3.8871   -3.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510   -5.1320   -2.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1107   -2.8029    0.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791   -4.4384   -0.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6531   -0.9482   -1.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6107   -1.6715    0.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -2.6911   -0.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8950   -3.3676    1.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5868   -2.4830    2.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
>  <NSC>
48114

>  <CAS_RN>
70864-04-9

$$$$
48184
  Marvin  03121014323D          

 41 41  0  0  0  0            999 V2000
    1.3910    0.9780    1.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0342    1.6438    2.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693   -0.4870    1.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9857    2.2958    3.2119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1303    1.5691    2.9483 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8146   -1.0058    1.8165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5199   -1.3946    1.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2368    3.6996    3.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0114   -2.3932    1.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7086   -2.7807    1.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3262    4.1020    4.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2313   -2.8611    2.3877 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9585   -3.2896    1.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7985    5.5685    3.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3637   -2.9092    3.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1372   -4.6411    1.8316 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
48184

>  <CAS_RN>
999-99-9

$$$$
48197
  Marvin  03121014323D          

 37 38  0  0  1  0            999 V2000
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M  END
>  <NSC>
48197

>  <CAS_RN>
999-99-9

$$$$
48199
  Marvin  03121014323D          

 34 35  0  0  1  0            999 V2000
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M  END
>  <NSC>
48199

>  <CAS_RN>
999-99-9

$$$$
48593
  Marvin  03121014323D          

 34 35  0  0  0  0            999 V2000
   -0.2452   -5.1502   -1.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
48593

>  <CAS_RN>
6341-79-3

$$$$
48715
  Marvin  03121014323D          

 36 39  0  0  0  0            999 V2000
    2.8888   -0.9310   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0687   -0.8448    0.0218 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3083   -2.3614   -0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7273    0.8601    0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3636   -3.2525    0.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6461   -2.8570   -1.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4558    1.3912    1.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7076    1.7077   -0.8392 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7566   -4.6203    0.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0358   -2.8296    2.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966   -4.1976   -1.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1722    2.7466    1.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4073    0.8238    2.7120 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4317    3.0383   -0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0402   -5.1031   -0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8499   -5.4738    1.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179   -3.7016    3.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0528    2.9868    2.9020 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1590    3.5631    0.5260 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0949    1.8228    3.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649   -6.5313   -0.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5324   -5.0238    3.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2117   -0.3556   -0.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3245   -0.4412    0.8219 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6285   -2.2447   -2.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7272   -1.8788    2.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2165   -4.5047   -2.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4283    3.6440   -1.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1539   -6.4433    1.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768   -3.3729    4.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2796    3.8436    3.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0132    1.7087    4.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2831   -6.8127   -0.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5062   -6.7326   -1.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5492   -7.1672   -0.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -5.6627    3.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 25  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 10 26  1  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  2  0  0  0  0
 14 19  1  0  0  0  0
 14 28  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 16 29  1  0  0  0  0
 17 22  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  1  0  0  0  0
 18 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
>  <NSC>
48715

>  <CAS_RN>
93320-99-1

$$$$
49218
  Marvin  03121014323D          

 24 24  0  0  0  0            999 V2000
   -0.6781   -1.1723   -0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0887   -2.4421   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -1.1316   -0.1393 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0372    0.0811   -0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7578   -3.6118    0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    1.3060   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4565    0.1837   -0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1431   -4.8519    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0418    2.5548   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1082    1.4317    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048   -4.9965    0.1711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8251   -5.8930   -0.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    2.6182    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8818   -4.9688    1.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8981   -2.4961   -0.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7528   -3.6027    0.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7104    1.3127   -0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0522   -0.6424   -0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5943    3.4161   -0.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1295    1.4783    0.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8309    3.5253    0.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9462   -5.1134    1.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5147   -5.7676    2.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333   -4.0072    1.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2 15  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  2  0  0  0  0
  7 18  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
>  <NSC>
49218

>  <CAS_RN>
14274-07-8

$$$$
49581
  Marvin  03121014323D          

 16 17  0  0  0  0            999 V2000
   -5.0602    0.5466   -0.0029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1183   -0.2754   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7670    0.0275    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2709   -1.6238   -0.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0734   -1.1791    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0881    1.2590    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0094   -2.3049    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6694   -1.2087    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766    1.2440    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0313    0.0172    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7232    0.0073   -0.0007 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6020    2.1427   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9047   -2.9045    0.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8886   -2.9274   -0.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1784   -2.1063    0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1678    2.1311   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
49581

>  <CAS_RN>
54109-03-4

$$$$
49582
  Marvin  03121014323D          

 18 19  0  0  1  0            999 V2000
   -0.5195    0.1187   -0.0214 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6894    1.5314   -0.1431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8105   -0.3108   -1.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9295   -0.1678    0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0221    1.8077   -1.3575 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3453    0.7735   -2.2853 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9982    0.4359   -0.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5520    1.8029   -1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2536   -0.2988    0.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8849   -0.4297   -1.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3030   -1.2397   -1.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0423    0.2879    1.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0849   -1.2454    0.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2824    2.7822   -1.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -0.2670   -1.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9462    0.5546    0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7791    2.5987   -0.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1057    2.0031   -1.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
>  <NSC>
49582

>  <CAS_RN>
280-16-0

$$$$
49584
  Marvin  03121014323D          

 23 23  0  0  0  0            999 V2000
    0.1067    1.0028    1.2839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8937    0.5580    0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4164    0.6382    1.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0536    1.2634    0.5414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7878   -0.4415   -0.2743 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1339   -0.2016    0.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0851    1.1881    2.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2630    0.9863   -0.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4877   -0.5013    0.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4397    0.8977    2.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1935    2.0703    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    0.0401    1.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4099    1.9086    0.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7606   -0.3392    2.2229 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6907   -0.5940   -0.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5824    1.8065    3.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6535    0.0192    0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0547    0.9303   -1.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9920   -1.1114    0.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9061    1.3156    3.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9054    2.9892   -0.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7425    1.0096    0.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9974    2.6954    0.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  7 10  2  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 12  2  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <NSC>
49584

>  <CAS_RN>
999-99-9

$$$$
50359
  Marvin  03121014323D          

 11 11  0  0  0  0            999 V2000
   -0.6432   -1.2343   -0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7486   -2.3966   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7182   -0.5604   -0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5475   -0.6503   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8058    0.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7411   -1.2791   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1315    0.8839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6950   -0.3308   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1114    1.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5985    1.7334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7010   -0.5118   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
>  <NSC>
50359

>  <CAS_RN>
3034-38-6

$$$$
50660
  Marvin  03121014323D          

 14 14  0  0  0  0            999 V2000
    1.4836    0.2280   -0.1345 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4383    0.5002   -0.7470 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5458   -0.9391    0.3704 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4201    1.0512    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3275    2.3644   -0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6867    0.6014    0.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342    3.0926   -1.4777 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170    3.1592   -0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8296    1.3947    1.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8945    2.6861    0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6703   -0.3307    1.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8712    4.0984   -0.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
>  <NSC>
50660

>  <CAS_RN>
89-69-0

$$$$
50889
  Marvin  03121014323D          

 63 66  0  0  1  0            999 V2000
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   -0.8232    0.1387   -0.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6748   -5.4959   -0.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7421   -3.5749   -1.9916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7289    1.2941   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3688   -0.2280   -1.3586 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9517   -4.6490   -0.8923 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3408   -3.9765    0.3193 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5313   -4.0002    0.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6525   -4.9006    0.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6443   -3.1983    1.9423 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1677   -2.7633   -2.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0774   -2.3681    1.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6049   -2.9024   -1.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7203   -4.0574   -2.9707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6883    0.9809    0.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5067   -4.7198    1.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3315   -5.9349    0.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 33  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 36  1  0  0  0  0
  7  9  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 14  1  0  0  0  0
 11 41  1  0  0  0  0
 12 15  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 16  1  0  0  0  0
 13 44  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 20  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 21  1  0  0  0  0
 18 50  1  0  0  0  0
 19 22  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 25  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 25 26  1  0  0  0  0
 25 60  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
 28 63  1  0  0  0  0
M  END
>  <NSC>
50889

>  <CAS_RN>
5767-88-4

$$$$
51689
  Marvin  03121014323D          

 23 23  0  0  0  0            999 V2000
   -1.9509    1.2392   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5950    1.0468   -0.2107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6952    0.3022    0.1603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5057    2.4723   -0.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1084   -0.1514    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9021    2.7181   -0.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6728    3.4919   -1.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241    0.0621   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4525    3.9166   -1.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2167    4.6907   -1.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2990    4.1558   -1.0307 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
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  7 10  2  0  0  0  0
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  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
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  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <NSC>
51689

>  <CAS_RN>
7149-03-3

$$$$
51983
  Marvin  03121014323D          

 32 33  0  0  0  0            999 V2000
    4.6363    4.4496   -0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4407    3.3952    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6174    5.0671    0.3701 N   0  0  1  0  0  0  0  0  0  0  0  0
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    3.0522    6.3301    2.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3333    1.0488    0.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6189    0.6636   -0.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1040   -0.4241   -0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1633    1.3266    1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
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  8 11  2  0  0  0  0
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 10 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
>  <NSC>
51983

>  <CAS_RN>
61221-07-6

$$$$
52081
  Marvin  03121014323D          

 31 32  0  0  1  0            999 V2000
   -0.2890    0.4388    1.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1907   -0.1257   -0.0488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8472    0.6169    1.1793 C   0  0  1  0  0  0  0  0  0  0  0  0
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 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
>  <NSC>
52081

>  <CAS_RN>
7355-85-3

$$$$
52915
  Marvin  03121014323D          

 77 80  0  0  1  0            999 V2000
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M  END
>  <NSC>
52915

>  <CAS_RN>
10028-44-1

$$$$
53190
  Marvin  03121014323D          

 40 41  0  0  1  0            999 V2000
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  2  6  1  0  0  0  0
  2 25  1  0  0  0  0
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  5  7  2  0  0  0  0
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 11 15  2  0  0  0  0
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 15 32  1  0  0  0  0
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 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
>  <NSC>
53190

>  <CAS_RN>
999-99-9

$$$$
54065
  Marvin  03121014323D          

 56 59  0  0  1  0            999 V2000
   -8.0233    6.2864   -4.5581 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2 31  1  0  0  0  0
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 18 41  1  0  0  0  0
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 19 43  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 44  1  0  0  0  0
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 24 25  1  0  0  0  0
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 25 26  2  0  0  0  0
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 28 30  1  0  0  0  0
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 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
M  END
>  <NSC>
54065

>  <CAS_RN>
3259-68-5

$$$$
54183
  Marvin  03121014323D          

 23 23  0  0  0  0            999 V2000
   -0.3442    0.1638    1.1783 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1339    1.2358    0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4523   -0.9253    1.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1280    2.3240    0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8471    1.3280   -0.4129 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.9781    1.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1905   -2.0630    1.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6122   -2.1453    1.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5393   -3.2179    2.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0101   -2.1768    1.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9285   -3.2632    2.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7406   -3.1502    1.5089 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6275   -1.1583    0.5641 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5524   -4.4175    2.4055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1925    0.1680    1.6484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8634    3.1157   -0.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3357   -0.1465    0.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -2.0598    2.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0559   -4.0286    2.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5805   -1.2141    0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2524   -4.1467    3.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  2  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
>  <NSC>
54183

>  <CAS_RN>
51-59-2

$$$$
54279
  Marvin  03121014323D          

 24 25  0  0  0  0            999 V2000
   -2.5532    1.8739   -2.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7838    0.8184   -1.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  2  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 12 20  1  0  0  0  0
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 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
>  <NSC>
54279

>  <CAS_RN>
6944-17-8

$$$$
54324
  Marvin  03121014323D          

 34 36  0  0  0  0            999 V2000
   -1.9522    1.4200    0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9617    1.7203   -0.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6171    1.2427    0.0579 N   0  3  0  0  0  0  0  0  0  0  0  0
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    0.1218    2.3416   -0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6150    3.0557   -1.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1918   -0.2064   -0.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9598    4.4299   -2.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0751    6.0435    0.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784    0.7946   -1.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7837    2.2273   -3.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8408    1.1023   -4.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5042    2.8169   -4.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6291    6.2428   -1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  7 12  2  0  0  0  0
  7 23  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 24  1  0  0  0  0
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 11 16  2  0  0  0  0
 11 26  1  0  0  0  0
 12 16  1  0  0  0  0
 12 27  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 28  1  0  0  0  0
 15 18  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  CHG  2   3   1  13   1
M  END
>  <NSC>
54324

>  <CAS_RN>
999-99-9

$$$$
54883
  Marvin  03121014323D          

 29 30  0  0  0  0            999 V2000
    2.6527   -0.9100   -0.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2574   -0.9721   -0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0619   -3.3801   -0.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9570    0.0655    0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5630   -0.6495   -0.7911 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8081   -2.9537   -1.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9244   -4.4755   -0.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7496   -1.1138    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379    1.2959    0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3020   -4.2597   -1.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3234   -6.0579   -0.9764 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1435   -1.0673    0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0312    1.3463    0.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4662    0.2224    0.7771 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8388   -1.8603   -0.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8720    0.9765    0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0740   -3.5997   -0.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1527   -0.1386   -1.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8139   -2.8052   -1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3357   -2.0337    0.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1244    2.1812    0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9415   -5.0467   -1.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6824   -1.9362    0.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4882    2.2486    0.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2 20  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 22  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  2  0  0  0  0
 10 24  1  0  0  0  0
 11 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 25  1  0  0  0  0
 13 17  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
54883

>  <CAS_RN>
36768-48-6

$$$$
55124
  Marvin  03121014323D          

 32 31  0  0  0  0            999 V2000
    1.9665   -0.5753    1.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4519   -1.3320    2.0886 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1858   -0.3938   -0.1764 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0797   -0.0119    1.2028 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1343   -1.6930    3.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7079    1.0733   -0.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9945   -0.8614   -1.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1643   -2.3483    4.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7461   -3.5263    4.8896 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304   -4.2648    5.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8843   -5.5419    6.2961 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2217   -3.8640    6.5473 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8827   -6.7257    6.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5398   -5.4549    7.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925   -1.0231   -0.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9381   -2.3845    3.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5582    1.7500   -0.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0754    1.1780   -1.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -1.8923   -1.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713   -0.2284   -1.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3781   -0.8160   -2.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9134   -1.6251    5.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2389   -2.6433    3.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6873   -5.7455    5.5811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3641   -7.6646    6.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0270   -6.5675    6.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5183   -6.8289    5.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0229   -6.4013    7.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7971   -5.2314    8.4666 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3033   -4.6748    7.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
M  END
>  <NSC>
55124

>  <CAS_RN>
7402-23-5

$$$$
55186
  Marvin  03121014323D          

 39 38  0  0  1  0            999 V2000
    0.9517    2.3578    1.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1869    1.3237    1.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9574    2.9214    3.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2460    0.6518    0.0380 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1086    3.9352    3.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4135   -0.3941   -0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    1.7066   -1.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9914   -0.0269   -0.2096 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1171    4.5566    4.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3422   -1.6040    0.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2813    5.5677    4.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3190    6.2076    6.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4838    7.2096    6.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8421    3.1915    0.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9165    1.8823    1.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1443    1.8132    1.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0623    0.5374    2.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0017    3.4112    3.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0628    2.0958    3.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0177    4.7422    2.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0647    3.4303    3.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3672    0.1179    0.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361   -0.8043   -1.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5626    1.2179   -2.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2830    2.3405   -0.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4670    2.3407   -1.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6769    0.6734   -0.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680    5.0707    4.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2182    3.7599    5.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3654   -2.0874    0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5369   -1.2907    1.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0999   -2.3401    0.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2295    5.0522    4.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1809    6.3627    4.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4254    5.4220    7.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    6.7334    6.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4693    7.6322    7.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4424    6.7086    6.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3902    8.0251    5.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
M  END
>  <NSC>
55186

>  <CAS_RN>
21078-68-2

$$$$
55188
  Marvin  03121014323D          

 24 24  0  0  0  0            999 V2000
    1.8636    0.5929   -1.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1639   -0.1190   -0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4509    0.0005   -2.5008 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5535    0.4770    1.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3397    0.4416   -3.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1569   -1.0596   -3.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583   -0.2385    2.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3808    1.3772   -2.7616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0419   -0.1421   -4.3446 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7785   -1.6790   -4.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6480   -1.1792   -4.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2615   -1.6847   -5.9548 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4315   -1.1799   -0.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2800    1.5352    1.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1318   -1.2951    2.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2263   -0.1537    2.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8303    0.1855   -4.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3084   -2.4718   -4.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <NSC>
55188

>  <CAS_RN>
705-06-6

$$$$
55189
  Marvin  03121014323D          

 27 28  0  0  0  0            999 V2000
   -2.6041    3.0488   -2.2466 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7155    3.5809   -3.2784 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4231    2.1280   -3.9225 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3289    0.8836   -2.0400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8014    2.0335    0.2899 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8451    0.8586   -0.0217 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2484    1.5014   -4.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2097    0.4461   -0.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3949    1.4991   -6.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    0.8700   -4.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1145   -0.3877   -0.2239 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1709    0.8301   -7.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0740    0.1908   -5.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3985    0.1580   -7.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9104   -0.4930   -8.1571 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9597    2.8854   -4.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4930    2.6433   -0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8592    1.6436    1.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2946    1.9751   -6.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0348    0.9066   -3.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8809   -0.6801   -0.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0064   -0.6961    0.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3151    0.8283   -8.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9788   -0.2763   -5.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  2  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
55189

>  <CAS_RN>
787-05-3

$$$$
55190
  Marvin  03121014323D          

 27 28  0  0  0  0            999 V2000
   -2.6042    3.0714   -2.2405 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7182    3.5539   -3.2969 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8506    0.8741   -0.0103 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2396    1.4779   -4.9306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    0.4506   -0.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3886    1.4756   -6.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1012   -0.3892   -0.2529 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0878    0.1919   -5.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0086    0.8685   -3.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8453   -0.6839   -0.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0198   -0.7018    0.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9970   -0.2596   -5.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  2  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
55190

>  <CAS_RN>
7399-26-0

$$$$
55191
  Marvin  03121014323D          

 30 31  0  0  0  0            999 V2000
    3.2970   -3.6348   -0.5685 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2232   -3.7810   -0.1366 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9511   -2.4972   -0.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4718   -1.1930   -0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2242   -2.5923   -1.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318   -1.0153    0.1014 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2687   -0.1300   -0.7493 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7668   -3.7663   -1.7786 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9543   -1.4777   -1.6388 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378    0.1041    0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4909   -0.2498   -1.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0261   -0.0919    0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9406    1.4235    0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2361    0.8365   -1.5645 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5719   -1.4567    0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8297    1.0352    0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0741    2.5307    0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3101    2.3359    0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8065   -1.8223    0.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6438   -3.7885   -2.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2795   -4.5929   -1.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9400    1.5991    0.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1149    0.7402   -1.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8982    1.7179   -1.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2130   -2.0075   -0.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2894   -1.9973    1.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4465    3.4784    0.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429    3.1387    0.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  2  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 22  1  0  0  0  0
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 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
>  <NSC>
55191

>  <CAS_RN>
7399-27-1

$$$$
55192
  Marvin  03121014323D          

 26 27  0  0  0  0            999 V2000
   -2.6295    1.6811   -2.4509 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6978    2.5835   -2.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7611    1.1999   -3.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4643    2.6722   -0.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9588    3.4742   -2.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7755    0.3618   -4.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9009    1.5376   -4.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1241    1.8700    0.2471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5715    3.5681   -0.1312 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0936    3.5396   -4.1867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0800    4.3459   -2.2823 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069   -0.1080   -5.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0279    1.0874   -5.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1178    4.4053   -0.9434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6953   -1.1228   -6.2171 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0301    0.2745   -6.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9817    5.2941   -0.4283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2222   -0.2049   -7.9893 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6316    2.1302   -4.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0527    3.4405   -4.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4660    5.8949   -1.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238    5.3365    0.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 20  1  0  0  0  0
  7 13  2  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 14  2  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
>  <NSC>
55192

>  <CAS_RN>
7400-35-3

$$$$
55194
  Marvin  03121014323D          

 24 25  0  0  0  0            999 V2000
    2.0490    3.1436    0.6533 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612    3.1982    1.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2762    2.0783    0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9385    4.4715    1.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300    2.0959    1.2485 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1236    2.2617    0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7630    0.8394   -0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2827    4.5408    1.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4247    2.1807    1.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0153    1.2390   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8713   -0.1873   -0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0479    6.0232    1.9090 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9870    3.3989    1.8392 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1510    1.0720    1.8613 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5175    0.0094   -0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6899   -1.3513   -0.9792 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    2.7613    0.6712   -0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241    1.3934    0.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2362   -1.0787   -0.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7597    0.1983    1.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0669    1.1430    2.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
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 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
55194

>  <CAS_RN>
7400-36-4

$$$$
56099
  Marvin  03121014323D          

 45 46  0  0  1  0            999 V2000
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 26 45  1  0  0  0  0
M  END
>  <NSC>
56099

>  <CAS_RN>
7599-12-4

$$$$
56550
  Marvin  03121014323D          

 23 22  0  0  0  0            999 V2000
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   -1.7871   -0.0623   -1.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
56550

>  <CAS_RN>
5351-04-2

$$$$
56588
  Marvin  03121014323D          

 32 33  0  0  0  0            999 V2000
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 19 32  1  0  0  0  0
M  END
>  <NSC>
56588

>  <CAS_RN>
6938-95-0

$$$$
56722
  Marvin  03121014323D          

 36 38  0  0  0  0            999 V2000
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 23 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END
>  <NSC>
56722

>  <CAS_RN>
5030-67-1

$$$$
57105
  Marvin  03121014323D          

 16 15  0  0  0  0            999 V2000
   -2.3346    1.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <NSC>
57105

>  <CAS_RN>
110-77-0

$$$$
57443
  Marvin  03121014323D          

 33 35  0  0  0  0            999 V2000
   -4.8144   -5.2810   -3.9824 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
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 18 31  1  0  0  0  0
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 20 32  1  0  0  0  0
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 23 33  1  0  0  0  0
M  END
>  <NSC>
57443

>  <CAS_RN>
7255-73-4

$$$$
57645
  Marvin  03121014323D          

 26 27  0  0  0  0            999 V2000
   -0.7512   -1.0545   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0677   -2.2383   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9294   -2.4586   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3259   -2.6371   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
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 10 13  1  0  0  0  0
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 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
>  <NSC>
57645

>  <CAS_RN>
530-48-3

$$$$
57779
  Marvin  03121014323D          

 34 35  0  0  1  0            999 V2000
    0.5996   -0.2967    2.2624 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3503   -0.4916    1.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7721    0.4096    2.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3399   -0.0691   -0.1314 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3470   -1.1238    1.7196 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4217   -2.3939   -1.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9899   -3.5438   -0.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 31  1  0  0  0  0
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 19 32  1  0  0  0  0
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 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  CHG  2  13   1  18  -1
M  END
>  <NSC>
57779

>  <CAS_RN>
6632-27-5

$$$$
58595
  Marvin  03121014323D          

 37 37  0  0  1  0            999 V2000
    2.0304    1.3385    0.1815 N   0  0  2  0  0  0  0  0  0  0  0  0
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    0.9870    2.5288    4.0007 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.6514    0.8962   -1.4070 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.7153    0.6939   -3.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1460    0.4005   -0.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5012    2.9982    1.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2270    2.5322    0.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9299   -0.8164   -2.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0506    4.2709   -0.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8925   -0.1035   -3.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  2 18  1  0  0  0  0
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  3  6  1  0  0  0  0
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  4  7  1  0  0  0  0
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  7 10  1  0  0  0  0
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 10 30  1  0  0  0  0
 11 14  1  0  0  0  0
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 13 33  1  0  0  0  0
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 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
M  END
>  <NSC>
58595

>  <CAS_RN>
6625-86-1

$$$$
58600
  Marvin  03121014323D          

 35 35  0  0  1  0            999 V2000
   -1.8138    0.0609    0.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6056    1.4611    0.4022 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3093    0.0056    2.3081 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0708    1.6364   -0.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4858    0.8399    2.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0432    0.9200    3.7625 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4550   -2.2543    2.7453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2870   -1.4845    4.1570 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -4.3128    3.6035    4.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7478    0.1545    5.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 17  1  0  0  0  0
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  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
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  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
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 10 14  1  0  0  0  0
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 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END
>  <NSC>
58600

>  <CAS_RN>
6935-16-6

$$$$
58603
  Marvin  03121014323D          

 24 23  0  0  1  0            999 V2000
    1.2590   -0.0736    3.4617 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5416   -0.7892    2.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -1.0807    4.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8879   -0.4288    6.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2183   -0.2565   -3.0545 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0878    0.0590    5.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8674   -1.1966    6.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
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  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
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  5  7  1  0  0  0  0
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  6 18  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
M  END
>  <NSC>
58603

>  <CAS_RN>
6625-89-4

$$$$
58604
  Marvin  03121014323D          

 39 39  0  0  1  0            999 V2000
   -0.9114   -1.5693    0.4704 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6795   -1.9393   -0.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1301   -2.6775    1.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0196   -0.5100    0.2127 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0346   -3.1503   -0.5761 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5797   -3.4164    0.3412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    0.8114    0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1084   -3.1324   -2.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4195   -4.6160   -0.3615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9052   -2.7430    0.7072 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5766   -3.7611    3.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9436    1.7474    0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2468    1.2521    0.9398 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6378   -2.7829   -1.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1861   -7.8170   -1.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1861   -6.6358   -1.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  1 22  1  0  0  0  0
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  2 23  1  0  0  0  0
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  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  4 25  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
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  9 15  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 12 28  1  0  0  0  0
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 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15 16  2  0  0  0  0
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 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 17 35  1  0  0  0  0
 18 20  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
>  <NSC>
58604

>  <CAS_RN>
6935-17-7

$$$$
59295
  Marvin  03121014323D          

 39 39  0  0  0  0            999 V2000
    0.5257   -2.1567    1.3631 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5964   -3.5513    2.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723   -0.7503    0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7127   -3.3154   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1423   -1.7591    1.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8380   -3.6062    3.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7047    0.4099    0.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1555   -2.3072    0.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5550   -0.8799    2.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7808   -3.2833    4.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0079   -3.9446    2.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9081    1.6041    1.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0012    0.3468    1.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5156   -2.0144    0.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9116   -0.5694    2.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2478   -3.4263    3.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5452   -0.4665    1.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2303   -2.4384    0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1830    0.0689    3.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8809   -0.9336    2.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 17  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
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  3  7  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
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  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  8 25  1  0  0  0  0
  9 15  2  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
M  END
>  <NSC>
59295

>  <CAS_RN>
28381-82-0

$$$$
59630
  Marvin  03121014323D          

 42 45  0  0  0  0            999 V2000
   -1.1730   -1.6686    0.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1347   -1.3561    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7169   -2.9560    0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6540   -0.0828   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9322   -4.1401    0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1344   -3.1015    0.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1219    1.0424   -0.1411 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9033    0.0235   -0.0796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497   -5.3873    0.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7422   -4.3621    0.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3959    2.3726   -0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9267   -5.4973    0.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9397   -6.5789    0.8918 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966    3.3061   -0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3176   -6.7724    0.9856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0594   -7.4721    1.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3756    6.8781    0.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6237    6.7408   -1.8837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3282    7.8029    0.1341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4740    7.7424   -1.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8174   -0.9136    0.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -2.0856    0.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865   -4.1288    0.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7481   -2.2841    0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7614   -4.4515    0.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0077    2.6448    0.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0425    2.4010   -1.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0066    3.4346   -1.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0287   -8.2100    0.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9767   -7.9975    1.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9229    3.7919    1.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6956    4.8671   -1.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3998    5.2823    2.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1366    6.9513    2.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2248    8.7146   -1.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5130    7.5124   -1.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 27  1  0  0  0  0
  2  4  1  0  0  0  0
  2 28  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
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  5 29  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 38  1  0  0  0  0
 20 22  2  0  0  0  0
 20 39  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
>  <NSC>
59630

>  <CAS_RN>
6941-33-9

$$$$
59841
  Marvin  03121014323D          

 29 29  0  0  1  0            999 V2000
    6.2220    2.4694    2.2078 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9636    1.4239    2.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1665    3.6239    1.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4245    1.8778    1.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5976    1.0409    4.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9294    0.8213    2.4543 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4309    4.7913    1.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0027    1.9686    0.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0992    1.2404   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4567    0.0017    4.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0372    2.6999    2.1816 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3114    1.4457   -0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4066    0.7207   -1.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    0.8262   -1.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5501    2.9496    2.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6840    4.0391    2.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9294    3.2388    1.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4655    0.6099    4.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2973    1.9235    4.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6936    5.2338    1.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1455    5.5627    0.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9240    4.4436    0.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1152    1.1528   -0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2092   -0.2546    5.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7665   -0.9087    3.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2933    1.5135   -0.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9200    0.2693   -1.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5049    0.4507   -1.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
>  <NSC>
59841

>  <CAS_RN>
6626-27-3

$$$$
60113
  Marvin  03121014323D          

 21 21  0  0  0  0            999 V2000
    4.6025   -0.3691    0.7641 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.5579   -0.5154    1.4172 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858    0.1644   -0.3568 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3376   -0.7120    1.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2830   -0.4566    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9787   -1.3150    2.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9429   -0.7700    0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1685   -1.7068    3.5404 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6188   -1.6186    2.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3338   -0.4375   -0.6862 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6198   -1.3511    1.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1916   -2.2449    3.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4128    0.5798   -0.0761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0800   -1.7887   -1.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3109    0.2772   -2.1010 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4879   -0.0286   -0.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3597   -1.5842    1.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8067   -1.9232    4.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1604   -1.9915    4.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2673   -3.3282    3.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9945   -0.3550   -2.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
>  <NSC>
60113

>  <CAS_RN>
535-48-8

$$$$
60367
  Marvin  03121014323D          

 61 61  0  0  0  0            999 V2000
    2.2124    2.0003   -0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4217    3.2690   -0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599    1.8663    0.5455 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    0.9869   -1.3249 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9524    4.4066    0.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0508   -0.0891   -1.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9780    0.9597   -2.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0987    5.7042    0.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5263   -1.4685   -0.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.1503   -1.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6979    6.8910    1.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3164   -2.0118   -1.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -1.3442   -1.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8053    8.1640    1.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3910    9.3506    2.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4878   10.6177    2.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0772   11.7946    2.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1803   13.0647    2.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7746   14.2371    3.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1290   15.5007    3.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4555   16.6792    4.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4521   17.9300    4.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3927    3.0292   -0.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4189    3.6794   -1.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9806    4.6427    0.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4341   17.6985    4.8651 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
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  6  9  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 10  1  0  0  0  0
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  9 12  1  0  0  0  0
  9 33  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 35  1  0  0  0  0
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 13 41  1  0  0  0  0
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 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  1  0  0  0  0
 19 53  1  0  0  0  0
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 20 21  1  0  0  0  0
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 20 56  1  0  0  0  0
 21 22  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
M  END
>  <NSC>
60367

>  <CAS_RN>
57547-84-9

$$$$
60401
  Marvin  03121014323D          

 27 27  0  0  1  0            999 V2000
    0.4054   -2.1629    0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9995   -2.6000    0.0919 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2322   -4.4516    1.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8770   -2.0155   -3.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6658    1.2694   -2.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3698   -0.2653   -4.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  2  0  0  0  0
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 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
>  <NSC>
60401

>  <CAS_RN>
6940-80-3

$$$$
61234
  Marvin  03121014323D          

 28 29  0  0  0  0            999 V2000
   -3.8157    2.3507    4.4522 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1516    1.2079    4.4397 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9066    0.2633   -1.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 21  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  0  0  0  0
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 14 18  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
>  <NSC>
61234

>  <CAS_RN>
49650-84-2

$$$$
61792
  Marvin  03121014323D          

 25 26  0  0  1  0            999 V2000
    0.9463    0.3547    0.0242 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0256    1.7058   -0.7595 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4721   -0.7373   -0.7377 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6369    0.4364    1.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3142    1.6682   -1.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9822    0.1493    1.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2851    1.6386   -2.9148 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3896    2.4163   -1.2865 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491    0.8191    3.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1733    1.2940    2.9337 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9478    1.1973    4.8342 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1272    0.2759    3.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3189    1.9914    4.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897    1.9014    6.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 17  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  3  0  0  0  0
  6 10  3  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
>  <NSC>
61792

>  <CAS_RN>
999-99-9

$$$$
61793
  Marvin  03121014323D          

 20 21  0  0  0  0            999 V2000
   -1.2917    0.0160   -0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9182    0.0150   -1.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0273   -0.0237   -0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4824    0.0075   -2.1360 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101   -0.0596   -0.3424 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3778    0.0147    2.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2965    0.0976    1.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4355    0.0580    3.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542   -0.0581    2.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2088    0.1264    0.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5785    0.1202    2.7163 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2392    0.0270    4.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1665   -0.0890    4.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9194   -0.0525    5.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7507   -0.0904    2.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4655    0.1666    3.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1215   -0.1410    4.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7497   -0.0813    6.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  3  0  0  0  0
  3  6  3  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <NSC>
61793

>  <CAS_RN>
6623-89-8

$$$$
61795
  Marvin  03121014323D          

 30 32  0  0  0  0            999 V2000
    4.5699   -0.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9293    0.8569   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1052   -3.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655    0.2375   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0191    1.4292   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284    2.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0008   -5.2736   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3667    2.6627   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3408    1.6027   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8783    1.0668   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7619   -2.5144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8596   -0.5510   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6902    1.5576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1063   -5.3655   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0449   -4.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0427    1.3985   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5340    3.5669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8563   -6.2860   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8988    3.5356   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  0  0  0  0
 13 17  2  0  0  0  0
 13 24  1  0  0  0  0
 14 18  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  2  0  0  0  0
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
>  <NSC>
61795

>  <CAS_RN>
94064-79-6

$$$$
61799
  Marvin  03121014323D          

 25 25  0  0  0  0            999 V2000
   -0.0038    5.1303   -0.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9935    5.1152    0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2937    6.5000   -1.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7376    3.9781   -1.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4662    4.1219    0.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6321    6.1504    0.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7475    4.0867   -2.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.6282   -0.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9166    3.2496    1.5217 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1968    7.0753    1.1064 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5079    3.0035   -2.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.5248   -1.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5095    3.2012   -3.6050 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2394    1.7097   -2.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7718    3.4791   -2.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6091    7.1423   -0.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6061    6.9246   -1.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0628    6.6244   -1.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9944    4.9625   -2.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1058    2.3690   -0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0810    0.5827   -0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7573    0.9108   -2.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5314    3.6141   -3.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7236    4.3976   -2.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0874    2.6518   -2.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  3  0  0  0  0
  6 10  3  0  0  0  0
  7 11  1  0  0  0  0
  7 19  1  0  0  0  0
  8 12  2  0  0  0  0
  8 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
>  <NSC>
61799

>  <CAS_RN>
86604-43-5

$$$$
62260
  Marvin  03121014323D          

 31 31  0  0  1  0            999 V2000
    2.1101   -0.6702   -1.4390 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.5838   -0.7420   -1.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7177   -0.3825   -0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1946    0.1042   -2.5809 P   0  0  1  0  0  0  0  0  0  0  0  0
    4.4279    0.5234   -1.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2876   -1.3985    0.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5558    1.5243   -2.6538 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4393   -0.5698   -4.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3762    0.0115   -2.2702 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8072   -1.8554   -4.2321 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9736   -1.2784   -2.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5489   -3.0440   -3.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7185   -1.8207   -3.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -1.0189   -2.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0137   -1.5645   -1.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6304   -0.4348    0.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0248    0.6302    0.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100    1.3519   -2.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4782    0.3163   -1.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8658   -1.2109    1.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3714   -1.3029    1.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354   -2.4176    0.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9011   -2.0305   -5.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6355   -1.9965   -1.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0513   -1.1606   -2.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1416   -3.9920   -3.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4477   -3.0216   -2.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6102   -3.0110   -3.8091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2088   -1.1565   -4.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1598   -2.8154   -4.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
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  6 23  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
>  <NSC>
62260

>  <CAS_RN>
20726-64-1

$$$$
63913
  Marvin  03121014323D          

 25 24  0  0  0  0            999 V2000
    1.1535   -0.8585    1.7533 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3599   -0.7178    2.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3855   -0.2613    0.4869 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.5033   -2.3781    1.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602   -0.2563    2.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9072    0.7361    2.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859    0.4500    0.2628 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6182   -0.4870   -0.5021 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3603    0.7436    2.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2589    0.9999    1.5503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7971    0.3627    3.6482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6076    2.3010    1.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5157   -1.2176    3.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9753   -1.2520    1.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5493   -2.5094    1.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3412   -2.9054    2.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.8550    0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1162   -0.4708    2.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7996   -0.6738    3.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9456    0.8283    2.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4053    1.2803    3.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7127    1.2661    1.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3634    2.1933    0.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7383    2.8074    0.6535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0203    2.9044    1.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
M  CHG  2   3   1   8  -1
M  END
>  <NSC>
63913

>  <CAS_RN>
16507-02-1

$$$$
64121
  Marvin  03121014323D          

 61 62  0  0  0  0            999 V2000
   -4.5956   -0.8875   -0.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5929   -2.3340   -0.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8270   -3.1120   -0.5037 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -6.3250    0.3438    0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7820   -0.4343   -1.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6171    0.9083    0.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0803    0.0943   -1.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0304    1.5837    1.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4901    0.7630   -0.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1653    1.7596    2.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1868    2.0632    1.6251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8867   -0.2908   -0.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2198   -0.8934   -2.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9303   -2.3368    0.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2643   -2.9570   -1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6642    0.4193    0.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4925   -0.9209   -2.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4089   -3.5282   -1.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0454    2.0121    2.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4410    0.1283    4.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9642   -0.9185   -4.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3362   -2.8362   -2.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7554    3.2358    2.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1326    1.3288    4.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4628    3.7197    3.6017 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 13  1  0  0  0  0
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  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  2  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 24 25  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 46  1  0  0  0  0
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 26 29  1  0  0  0  0
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 29 33  2  0  0  0  0
 29 49  1  0  0  0  0
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 31 35  2  0  0  0  0
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 33 37  1  0  0  0  0
 33 52  1  0  0  0  0
 34 38  1  0  0  0  0
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 35 39  1  0  0  0  0
 35 53  1  0  0  0  0
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 39 55  1  0  0  0  0
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 40 58  1  0  0  0  0
 42 59  1  0  0  0  0
 42 60  1  0  0  0  0
 42 61  1  0  0  0  0
M  CHG  3   3   1  26   1  27   1
M  END
>  <NSC>
64121

>  <CAS_RN>
999-99-9

$$$$
64993
  Marvin  03121014323D          

 64 67  0  0  1  0            999 V2000
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 13 17  1  0  0  0  0
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 15 18  1  0  0  0  0
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 16 48  1  0  0  0  0
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 17 21  1  0  0  0  0
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 20 24  1  0  0  0  0
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 26 62  1  0  0  0  0
 27 28  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  0  0  0  0
M  END
>  <NSC>
64993

>  <CAS_RN>
23328-16-7

$$$$
65394
  Marvin  03121014323D          

 22 23  0  0  0  0            999 V2000
   -4.4636    3.3118    4.1434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8954    3.2792    4.4740 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3214    4.8765    4.6852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9846    2.5019    3.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5776    2.4095    5.8799 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003    1.3884    3.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <NSC>
65394

>  <CAS_RN>
74039-26-2

$$$$
66148
  Marvin  03121014323D          

 52 55  0  0  0  0            999 V2000
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 29 31  1  0  0  0  0
 30 52  1  0  0  0  0
M  END
>  <NSC>
66148

>  <CAS_RN>
6948-80-7

$$$$
66440
  Marvin  03121014323D          

 32 35  0  0  1  0            999 V2000
   -3.7990    2.5775    0.0493 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -5.9508    3.0249    1.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3177    1.9219    2.4190 O   0  0  0  0  0  0  0  0  0  0  0  0
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 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
>  <NSC>
66440

>  <CAS_RN>
550-23-2

$$$$
66489
  Marvin  03121014323D          

 20 21  0  0  0  0            999 V2000
   -0.4164    1.2670   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6811   -0.5430   -1.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
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  6 14  1  0  0  0  0
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  9 17  1  0  0  0  0
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 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <NSC>
66489

>  <CAS_RN>
54-95-5

$$$$
66550
  Marvin  03121014323D          

 18 18  0  0  0  0            999 V2000
    0.8383   -0.2050   -5.6146 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9287   -0.7916   -6.6221 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0209    1.0498   -5.7246 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5650   -0.8012   -4.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4648   -0.0466   -3.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1783   -0.6396   -1.9794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0829   -2.8161   -3.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0099   -2.0445   -1.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145    1.3966   -0.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0567   -3.8281   -3.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4189    2.0203   -1.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
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  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
>  <NSC>
66550

>  <CAS_RN>
586-39-0

$$$$
66733
  Marvin  03121014323D          

 61 64  0  0  1  0            999 V2000
  -11.7383   -0.3439   -6.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5624   -1.6575   -5.1877 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.3850   -1.4095   -4.1391 C   0  0  1  0  0  0  0  0  0  0  0  0
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  -11.1948   -2.8501   -6.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6107   -2.2999   -2.8674 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.8917   -1.4697   -4.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0230   -1.9325   -3.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0153   -2.4150   -5.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3800   -3.3733   -7.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3283   -2.4519   -1.9894 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.9243   -1.7924   -2.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
66733

>  <CAS_RN>
999-99-9

$$$$
67081
  Marvin  03121014323D          

 39 41  0  0  0  0            999 V2000
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M  END
>  <NSC>
67081

>  <CAS_RN>
6965-12-4

$$$$
67155
  Marvin  03121014323D          

 25 25  0  0  0  0            999 V2000
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M  END
>  <NSC>
67155

>  <CAS_RN>
25985-08-4

$$$$
67175
  Marvin  03121014323D          

 32 32  0  0  0  0            999 V2000
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 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
>  <NSC>
67175

>  <CAS_RN>
6972-09-4

$$$$
67376
  Marvin  03121014323D          

 52 53  0  0  1  0            999 V2000
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 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
M  END
>  <NSC>
67376

>  <CAS_RN>
899-93-4

$$$$
68435
  Marvin  03121014323D          

 38 39  0  0  1  0            999 V2000
   -5.2804    0.4823    0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1751   -0.9596   -0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4022    1.0313    0.1693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1624    1.2324    0.2247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1284   -1.2682   -0.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6680   -1.5111    0.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2286    2.1961    0.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
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 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
>  <NSC>
68435

>  <CAS_RN>
999-99-9

$$$$
68983
  Marvin  03121014323D          

 29 29  0  0  0  0            999 V2000
   -4.8965   -2.7646   -0.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1 18  1  0  0  0  0
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  3  6  1  0  0  0  0
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  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
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 17 29  1  0  0  0  0
M  END
>  <NSC>
68983

>  <CAS_RN>
999-99-9

$$$$
69178
  Marvin  03121014323D          

 22 24  0  0  0  0            999 V2000
    2.9542    4.8394    4.8346 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <NSC>
69178

>  <CAS_RN>
999-99-9

$$$$
69324
  Marvin  03121014323D          

 76 78  0  0  1  0            999 V2000
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 47 76  1  0  0  0  0
M  END
>  <NSC>
69324

>  <CAS_RN>
999-99-9

$$$$
69351
  Marvin  03121014323D          

 34 36  0  0  0  0            999 V2000
    0.6083   -0.3132    0.9938 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7081    1.0574    1.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  1  13   1
M  END
>  <NSC>
69351

>  <CAS_RN>
24616-93-1

$$$$
69352
  Marvin  03121014323D          

 29 30  0  0  0  0            999 V2000
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   -1.9478   -1.5928    1.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2479   -2.4106    1.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7397    4.8853    0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5115   -0.3384   -0.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2073   -0.5383    1.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7704    3.4142    0.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1110    1.5376   -0.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7976   -2.0906    0.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0193   -3.4764    1.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0300    4.2502    0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0994    5.6632    0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8468   -2.7972    2.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823    6.0880    0.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  5 18  1  0  0  0  0
  7 10  2  0  0  0  0
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  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
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 11 15  2  0  0  0  0
 11 22  1  0  0  0  0
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 13 16  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
>  <NSC>
69352

>  <CAS_RN>
999-99-9

$$$$
69358
  Marvin  03121014323D          

 36 38  0  0  1  0            999 V2000
   -0.9208   -1.1237    2.8578 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.9026    2.2982 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2695   -3.1202    3.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3243   -2.4528    1.0388 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4570   -1.1764    2.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0519   -4.2472    2.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6242   -3.2473    4.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8052   -1.6986   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4096   -3.8162    1.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5270   -1.6612    1.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    0.0088    2.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0223   -5.5378    2.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6530   -4.5326    5.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3356   -5.6723    4.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9334    0.2153    2.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0407   -0.3722    2.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8497   -2.4207    5.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7580   -2.3216   -1.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8609   -1.4793    0.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9423    0.3876    3.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2658   -6.3581    2.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8991   -4.6373    6.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9710   -0.5551   -0.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4923   -1.3087    0.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0406    1.5456    3.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3565   -6.5994    4.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6036   -0.4258   -2.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690    0.3826   -1.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218    0.7194    2.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
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  6  9  1  0  0  0  0
  7 13  2  0  0  0  0
  7 22  1  0  0  0  0
  8 14  1  0  0  0  0
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  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 25  1  0  0  0  0
 11 17  2  0  0  0  0
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 12 18  2  0  0  0  0
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 13 18  1  0  0  0  0
 13 28  1  0  0  0  0
 14 19  1  0  0  0  0
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 16 20  2  0  0  0  0
 16 31  1  0  0  0  0
 17 20  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
>  <NSC>
69358

>  <CAS_RN>
3532-79-4

$$$$
69362
  Marvin  03121014323D          

 41 43  0  0  0  0            999 V2000
   -6.8970    3.8121   -0.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3978    3.6958   -1.5831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2357    2.6137    0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9951    5.1042    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2395    1.7105    0.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6045    2.2779    0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8963    5.9961    0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1577    5.5536    0.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8363    1.8984    0.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6667    0.5482    1.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9993    1.1173    1.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9505    7.2786    0.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2207    6.8396    1.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0634    0.8141    0.2232 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3347    3.0343    0.7030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0290    0.2560    1.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1151    7.7004    1.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7145    0.7188    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1357   -0.5414    0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0813    0.2718   -0.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5274    0.0014   -0.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3345    2.8665   -0.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0357    5.7170   -0.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9837    4.9635    0.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9863   -0.1040    1.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9920    0.9009    1.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1441    7.9046    0.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0725    7.1492    1.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5451   -0.0280    0.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3128   -0.5874    2.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1571    8.6327    1.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7145   -1.3116    0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3750   -1.6896    0.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9647   -0.3925    0.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 25  1  0  0  0  0
  7 12  1  0  0  0  0
  7 26  1  0  0  0  0
  8 13  2  0  0  0  0
  8 27  1  0  0  0  0
  9 14  1  0  0  0  0
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 10 16  2  0  0  0  0
 10 28  1  0  0  0  0
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 11 29  1  0  0  0  0
 12 17  2  0  0  0  0
 12 30  1  0  0  0  0
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 13 31  1  0  0  0  0
 14 18  1  0  0  0  0
 14 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 23  2  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
>  <NSC>
69362

>  <CAS_RN>
7143-48-8

$$$$
69363
  Marvin  03121014323D          

 30 31  0  0  0  0            999 V2000
   -1.8136    1.0585    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3487    2.2305    0.0472 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4240    1.0080   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5698   -0.1075    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5746    2.5661    0.1126 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5689   -0.3801   -0.4469 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4819    2.0582    0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3383   -1.5110    1.0565 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6619   -0.4122   -0.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9805    3.8278    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1247    0.4198   -0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    1.7431    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6417   -2.4775    0.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2352   -1.6813   -0.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2292    4.0597    0.2353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1592    4.8549   -0.0204 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3145   -0.1275   -0.5156 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.9816   -3.7064    0.7476 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4248   -1.2679   -0.7348 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3799    0.5634   -0.4828 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.4262   -4.2612    1.6111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9280   -4.3312    0.1774 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.2448    1.8688    0.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1834    3.0018    0.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0135    0.2367   -1.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5740    2.4403    0.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0316   -1.9998   -1.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5518    4.9371    0.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4993    5.7617    0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2079    4.7048   -0.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 26  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
M  CHG  4  17   1  18   1  20  -1  22  -1
M  END
>  <NSC>
69363

>  <CAS_RN>
999-99-9

$$$$
69364
  Marvin  03121014323D          

 52 54  0  0  0  0            999 V2000
    6.0982    3.0402    2.3957 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
69364

>  <CAS_RN>
999-99-9

$$$$
70378
  Marvin  03121014323D          

 32 31  0  0  0  0            999 V2000
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M  CHG  1   2   1
M  END
>  <NSC>
70378

>  <CAS_RN>
2963-78-2

$$$$
70384
  Marvin  03121014323D          

 32 34  0  0  0  0            999 V2000
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M  END
>  <NSC>
70384

>  <CAS_RN>
999-99-9

$$$$
70403
  Marvin  03121014323D          

 20 20  0  0  0  0            999 V2000
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 10 20  1  0  0  0  0
M  END
>  <NSC>
70403

>  <CAS_RN>
7151-19-1

$$$$
71541
  Marvin  03121014323D          

 26 26  0  0  1  0            999 V2000
    1.4556    2.5842    0.3062 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1072    2.7531   -0.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    2.9183    1.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642    3.6298   -0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516    1.1672    0.2564 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5010    1.1353    0.7324 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4818   -0.2131    0.1912 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0229    0.4339   -0.9753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0544   -0.4063    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3123   -1.4196    0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7148    2.2433    0.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1895    3.8037   -0.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1969    2.3753   -1.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5040    2.1984    2.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7686    3.9156    1.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1253    2.8875    2.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7080    3.3838   -1.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0462    4.6378   -0.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3951    3.6541    0.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0496    1.4056   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4825    0.0627   -0.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    0.0064    1.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3117   -1.4639    0.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3597   -1.3612    0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2631   -1.4432    1.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9134   -2.3569    0.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
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  5  6  1  0  0  0  0
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  7  9  1  0  0  0  0
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  9 21  1  0  0  0  0
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  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
>  <NSC>
71541

>  <CAS_RN>
999-99-9

$$$$
72276
  Marvin  03121014323D          

 22 23  0  0  0  0            999 V2000
    1.1641   -0.8352   -0.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0545   -0.1777   -0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1396   -0.8649    1.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3174    1.1171    0.8316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8445   -2.9217    1.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6544    3.0364   -0.1431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2433   -0.1934    2.2998 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7900   -1.1801    0.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9289   -0.4324    1.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4633   -3.3586    2.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 19  1  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
>  <NSC>
72276

>  <CAS_RN>
2107-77-9

$$$$
72454
  Marvin  03121014323D          

 57 60  0  0  1  0            999 V2000
   -3.3865    0.3533    1.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1551   -0.4763    1.6691 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0543   -0.8575    0.5729 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6374   -1.9113    2.0946 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5556    0.3241    2.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7334   -2.0866   -0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8795   -2.6182    0.7348 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8038   -2.1699    3.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    1.5321    2.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3734    0.0224   -1.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988    1.6361    0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0259   -4.1474    0.9872 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0616   -3.7094    3.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7046    2.1890    1.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2582   -4.4561    1.9060 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -1.6240   -8.1311    2.8794 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1010   -6.4721    2.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7242   -6.6614   -0.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6387   -8.7801    3.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 29  1  0  0  0  0
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  5 31  1  0  0  0  0
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  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  9  1  0  0  0  0
  7 35  1  0  0  0  0
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  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 37  1  0  0  0  0
 10 15  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 16  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 13 16  2  0  0  0  0
 13 42  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 43  1  0  0  0  0
 15 17  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 22  1  0  0  0  0
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 20 52  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
M  END
>  <NSC>
72454

>  <CAS_RN>
999-99-9

$$$$
73082
  Marvin  03121014323D          

 20 20  0  0  0  0            999 V2000
    2.0510   -3.9720    1.4827 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0649   -4.7682    1.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0568   -2.6388    1.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7524   -6.1757    2.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310   -4.3548    2.1276 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8350   -1.9094    1.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2186   -1.9610    0.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2780   -2.4667    1.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8020   -0.5412    0.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1820   -0.5994    0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2526   -2.9620    1.9503 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9744    0.1109    0.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3332   -6.6626    1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0681   -0.0006    0.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9488    1.1019    0.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 17  1  0  0  0  0
  8 11  3  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <NSC>
73082

>  <CAS_RN>
25116-00-1

$$$$
73730
  Marvin  03121014323D          

 45 46  0  0  0  0            999 V2000
   -0.3428   -2.8073   -1.8370 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5532   -3.4957   -2.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7671   -2.6500   -2.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6571   -1.3986   -1.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0889   -3.7164   -0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5880   -0.5539   -1.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0190   -0.8265   -0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4508   -3.8832   -0.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8599   -4.3891    0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
73730

>  <CAS_RN>
5613-46-7

$$$$
74583
  Marvin  03121014323D          

 55 56  0  0  1  0            999 V2000
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M  END
>  <NSC>
74583

>  <CAS_RN>
999-99-9

$$$$
74755
  Marvin  03121014323D          

 21 21  0  0  0  0            999 V2000
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M  END
>  <NSC>
74755

>  <CAS_RN>
999-99-9

$$$$
74971
  Marvin  03121014323D          

 30 32  0  0  0  0            999 V2000
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M  END
>  <NSC>
74971

>  <CAS_RN>
2823-94-1

$$$$
75508
  Marvin  03121014323D          

 74 79  0  0  0  0            999 V2000
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M  END
>  <NSC>
75508

>  <CAS_RN>
38660-35-4

$$$$
75790
  Marvin  03121014323D          

 11 11  0  0  0  0            999 V2000
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M  END
>  <NSC>
75790

>  <CAS_RN>
3916-78-7

$$$$
75948
  Marvin  03121014323D          

 42 43  0  0  1  0            999 V2000
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 21 37  1  0  0  0  0
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 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
>  <NSC>
75948

>  <CAS_RN>
3413-79-4

$$$$
76284
  Marvin  03121014323D          

 45 46  0  0  0  0            999 V2000
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 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 45  1  0  0  0  0
M  END
>  <NSC>
76284

>  <CAS_RN>
999-99-9

$$$$
79211
  Marvin  03121014323D          

 33 35  0  0  1  0            999 V2000
    3.1892    1.2566    1.7871 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8005    0.5505    1.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0128   -0.7201    0.7599 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9206    1.2961    1.1007 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3009   -0.7659    0.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0722   -1.8107    0.7485 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8595    0.4860    0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363   -1.7723   -0.1614 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3627   -2.7477   -0.2982 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0794   -2.5833    2.0852 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 14  1  0  0  0  0
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 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
>  <NSC>
79211

>  <CAS_RN>
4016-63-1

$$$$
79468
  Marvin  03121014323D          

 36 36  0  0  0  0            999 V2000
   -1.4066   -0.3050   -4.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4680    0.8122   -4.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0807    0.1220   -4.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8644    0.3880   -4.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 33  1  0  0  0  0
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 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
M  END
>  <NSC>
79468

>  <CAS_RN>
1017-55-6

$$$$
80050
  Marvin  03121014323D          

 23 24  0  0  0  0            999 V2000
    0.7747    1.6660    1.3413 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
>  <NSC>
80050

>  <CAS_RN>
2038-01-9

$$$$
80304
  Marvin  03121014323D          

 29 28  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  2 11  1  0  0  0  0
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  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
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 10 29  1  0  0  0  0
M  END
>  <NSC>
80304

>  <CAS_RN>
3592-75-4

$$$$
80890
  Marvin  03121014323D          

 27 27  0  0  0  0            999 V2000
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 13 27  1  0  0  0  0
 14 15  3  0  0  0  0
M  END
>  <NSC>
80890

>  <CAS_RN>
999-99-9

$$$$
80903
  Marvin  03121014323D          

 88 93  0  0  0  0            999 V2000
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 29 33  1  0  0  0  0
 29 34  2  0  0  0  0
 30 34  1  0  0  0  0
 30 70  1  0  0  0  0
 31 35  1  0  0  0  0
 31 71  1  0  0  0  0
 32 36  2  0  0  0  0
 32 72  1  0  0  0  0
 33 37  2  0  0  0  0
 33 38  1  0  0  0  0
 34 73  1  0  0  0  0
 35 39  2  0  0  0  0
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 36 75  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 76  1  0  0  0  0
 42 44  2  0  0  0  0
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 43 45  2  0  0  0  0
 43 78  1  0  0  0  0
 44 45  1  0  0  0  0
 44 79  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 49 51  1  0  0  0  0
 49 52  1  0  0  0  0
 50 53  1  0  0  0  0
 50 54  2  0  0  0  0
 51 55  2  0  0  0  0
 51 56  2  0  0  0  0
 51 57  1  0  0  0  0
 52 58  2  0  0  0  0
 52 80  1  0  0  0  0
 53 81  1  0  0  0  0
 53 82  1  0  0  0  0
 54 59  1  0  0  0  0
 54 58  1  0  0  0  0
 57 83  1  0  0  0  0
 58 60  1  0  0  0  0
 59 84  1  0  0  0  0
 59 85  1  0  0  0  0
 59 86  1  0  0  0  0
 60 87  1  0  0  0  0
 60 88  1  0  0  0  0
M  CHG  2  33   1  38  -1
M  END
>  <NSC>
80903

>  <CAS_RN>
999-99-9

$$$$
81519
  Marvin  03121014323D          

 45 48  0  0  0  0            999 V2000
    6.2278   -1.9690    1.9409 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2182   -2.7740    1.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9934   -3.7334    0.6943 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6757   -3.1926    1.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6835   -3.0375    1.9522 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1408   -0.2341   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7671   -3.8884    2.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2331   -2.2238    0.9618 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7386   -5.1815    3.6289 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4123   -0.5322   -0.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5496    0.5764   -1.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2509   -4.9262    3.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3650   -3.7018    2.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1382   -6.2388    2.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1704   -5.7322    5.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1884    0.4242   -1.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3013   -5.7417    4.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -4.5156    3.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -5.5365    4.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4816   -1.2450    2.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5192   -2.7989    2.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8641   -3.0345    0.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5815   -4.2632    1.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4640   -3.2236    4.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5977   -4.1016    3.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1327   -0.0990    0.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4200   -0.6323   -0.9421 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1084    1.2786   -1.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0160   -2.9661    1.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9663   -5.8596    1.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5552   -7.1550    2.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1953   -6.5029    2.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2582   -5.7445    5.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7607   -5.1044    5.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -6.7564    5.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7619    1.0121   -2.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -6.5074    4.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -4.3671    3.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7402   -6.1339    4.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 26  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
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  8 27  1  0  0  0  0
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 10 15  1  0  0  0  0
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 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 18  1  0  0  0  0
 16 22  2  0  0  0  0
 16 33  1  0  0  0  0
 17 22  1  0  0  0  0
 17 34  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  2  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END
>  <NSC>
81519

>  <CAS_RN>
22776-60-9

$$$$
83173
  Marvin  03121014323D          

 43 43  0  0  1  0            999 V2000
    0.6674    4.4667   -5.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655    3.1666   -6.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3032    5.7640   -6.5084 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0303    1.8955   -5.7559 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1099    6.9779   -5.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502    6.1678   -7.4011 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1388    1.7748   -4.6253 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    0.5989   -6.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    8.1763   -6.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1794    7.5728   -7.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4443    1.8867   -3.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6610    1.8237   -2.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6349    2.0590   -2.9333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2379    2.1303   -0.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4093    2.0942    0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    2.2527    1.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800    2.1354    2.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0609    4.3447   -4.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6541    4.5895   -5.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3279    3.0357   -7.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3876    3.2749   -7.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6162    5.5977   -7.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0687    1.9968   -5.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8520    6.9791   -4.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8929    6.9987   -5.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1981   -0.2667   -5.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0722    0.4597   -6.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6342    0.6414   -7.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8967    8.9733   -5.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5917    8.5748   -6.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    7.7174   -8.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1623    8.0447   -7.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    2.5429   -2.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1012    0.8250   -2.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2196    3.1240   -0.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5141    1.3956   -0.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1100    2.9003   -0.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9388    1.1426    0.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    1.4788    1.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4441    3.2274    1.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6921    2.2198    3.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8084    2.9310    2.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5774    1.1688    2.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  5  9  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
M  END
>  <NSC>
83173

>  <CAS_RN>
999-99-9

$$$$
84157
  Marvin  03121014323D          

 26 27  0  0  0  0            999 V2000
   -0.7364    1.3243    1.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3620    1.2779    1.7980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6423    1.4161   -0.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9668    1.2302    1.9217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1471    0.3355   -0.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0299    2.6103   -0.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2262    1.5702    1.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9569    0.7513    3.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2830   -0.8142   -0.4236 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0952    0.4495   -2.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9715    2.7210   -2.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4185    1.4397    2.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1491    0.6034    3.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5043    1.6369   -3.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4627    4.1579   -3.0127 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3812    0.9458    3.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3039    1.9190    0.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0780    0.4866    3.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2468   -0.9227    0.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6365   -1.5337   -0.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2434   -0.3298   -2.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3135    1.7012    1.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1188    0.2424    4.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4528    1.7100   -4.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2479    0.8367    3.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 17  1  0  0  0  0
  7 12  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 14  2  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 12 23  1  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
>  <NSC>
84157

>  <CAS_RN>
719-59-5

$$$$
85158
  Marvin  03121014323D          

 35 35  0  0  0  0            999 V2000
   -1.4265    0.0989   -0.1129 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2451   -0.7278   -1.0501 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8451    1.6229   -0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4575   -0.4299    1.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0584    0.1362   -0.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8383   -1.2282   -2.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6132   -1.0939   -0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3015    2.0295    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0068   -1.9015    1.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5940   -1.9445   -3.0074 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0250   -2.0482    1.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6492   -2.5911    1.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7902   -0.4329   -4.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  3  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
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  9 28  1  0  0  0  0
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 12 13  2  0  0  0  0
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 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END
>  <NSC>
85158

>  <CAS_RN>
999-99-9

$$$$
85349
  Marvin  03121014323D          

 44 43  0  0  0  0            999 V2000
    2.4349   -0.8607   -0.0977 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0627   -0.8171   -1.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6364   -2.3802    0.3156 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9833   -2.1833    1.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5623   -0.7600    2.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
M  END
>  <NSC>
85349

>  <CAS_RN>
999-99-9

$$$$
85432
  Marvin  03121014323D          

 37 39  0  0  0  0            999 V2000
    0.6008    0.2255    0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5362   -0.7269    0.2936 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5968   -0.1356    0.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9585    1.5813    0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0755    2.6613   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374    2.0463    0.0643 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8512    3.8064   -0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1787    3.3956   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5051    5.1623   -0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2204    4.3344   -0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 37  1  0  0  0  0
M  END
>  <NSC>
85432

>  <CAS_RN>
6115-97-5

$$$$
86330
  Marvin  03121014323D          

 99 98  0  0  0  0            999 V2000
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M  END
>  <NSC>
86330

>  <CAS_RN>
999-99-9

$$$$
86887
  Marvin  03121014323D          

 42 45  0  0  0  0            999 V2000
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M  END
>  <NSC>
86887

>  <CAS_RN>
999-99-9

$$$$
87102
  Marvin  03121014323D          

 34 34  0  0  0  0            999 V2000
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   -0.6148    0.5076   -0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
>  <NSC>
87102

>  <CAS_RN>
62938-04-9

$$$$
88568
  Marvin  03121014323D          

 46 47  0  0  0  0            999 V2000
   -3.1730   -4.3366    1.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3888   -4.3482    3.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2195   -5.6868    1.6786 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1605   -3.3329    0.8593 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3842   -5.5336    3.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1415   -3.3456   -0.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2851   -2.1732    0.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4563   -5.4001    4.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9520   -2.3156   -1.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2147   -1.1946   -0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -6.6648    4.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5410   -1.0477   -0.7865 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900   -6.5299    5.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3449    0.1161   -0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1227   -7.8014    6.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6518    0.1865   -1.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9250    1.3046   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4696    1.3280   -1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7312    2.4549    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0101    2.4668   -0.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0918   -4.3915    3.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8303   -3.4258    3.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7687   -5.5948    2.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9443   -6.4671    3.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1286   -3.1686    0.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2078   -4.5441    4.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0695   -5.2042    5.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8591   -2.2985   -1.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1882   -2.6798   -2.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5206   -1.5932   -0.9526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7416   -0.2757    0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0452   -6.8508    3.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2574   -7.5274    4.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9713   -5.6825    5.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6557   -6.3344    6.8304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7897   -8.0069    5.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4647   -8.6588    6.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -7.6647    7.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0626   -0.5918   -1.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0182    1.3761    0.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4009    1.3299   -1.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3861    3.2863    0.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6006    3.2978   -0.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 11  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 12  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 18  1  0  0  0  0
 16 42  1  0  0  0  0
 17 19  2  0  0  0  0
 17 43  1  0  0  0  0
 18 20  2  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
M  END
>  <NSC>
88568

>  <CAS_RN>
999-99-9

$$$$
88620
  Marvin  03121014323D          

 25 26  0  0  0  0            999 V2000
   -1.9416    1.2646   -0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    1.0700   -0.2088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7130    0.3701    0.2123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4769    2.4663   -0.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0914   -0.1271    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7668    3.5236   -1.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7889    2.7828   -0.7296 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067    0.0658   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7054    4.4694   -1.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9568    3.9796   -1.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5714    5.7025   -2.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1299    4.7060   -1.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7445    6.4285   -2.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0128    5.9366   -2.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6303    8.0339   -3.5800 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1269   -0.3553    1.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2434   -0.9592   -0.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7543    3.5898   -1.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5026    2.2236   -0.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325   -0.8658    0.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8228    0.3606   -1.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9737    0.8439    0.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6490    6.0543   -2.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0448    4.3485   -1.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8534    6.4741   -2.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
 14 25  1  0  0  0  0
M  END
>  <NSC>
88620

>  <CAS_RN>
16732-70-0

$$$$
89168
  Marvin  03121014323D          

 40 43  0  0  0  0            999 V2000
    3.7959    9.7673   -2.6520 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2844    9.8519   -3.7110 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5596   10.8869   -2.0965 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5097    8.5884   -2.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7830    7.3548   -2.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9185    8.5337   -0.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4923    6.1251   -2.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6281    7.3040   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967    6.0882   -0.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5431    4.8907   -0.2618 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.7157    4.0001   -0.7460 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0245    4.4650    0.8613 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379    2.9930    0.0648 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0080    4.0766   -1.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4620    3.2707    1.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1069    5.1440   -2.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    3.1272   -2.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6981    2.4533    2.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5654    5.2745   -3.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5354    3.2618   -4.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0094    2.0254    2.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6255    2.0579    3.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3570    4.3306   -4.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2401    1.1954    3.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8626    1.2468    4.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3523    4.5183   -6.1633 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.1681    0.8089    4.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1977    7.3423   -3.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6878    9.3973   -0.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7159    5.2549   -2.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2011    7.3007    0.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0579    5.8343   -1.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8587    2.3494   -2.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2036    6.0581   -3.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.5856   -4.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8004    2.3018    1.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6706    2.3697    2.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    0.8720    3.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860    0.9758    4.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3377    0.2098    5.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  2  0  0  0  0
  6 29  1  0  0  0  0
  7  9  2  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 32  1  0  0  0  0
 17 20  2  0  0  0  0
 17 33  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 34  1  0  0  0  0
 20 23  1  0  0  0  0
 20 35  1  0  0  0  0
 21 24  1  0  0  0  0
 21 36  1  0  0  0  0
 22 25  2  0  0  0  0
 22 37  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 38  1  0  0  0  0
 25 27  1  0  0  0  0
 25 39  1  0  0  0  0
 27 40  1  0  0  0  0
M  CHG  3   1   1   3  -1  10   1
M  END
>  <NSC>
89168

>  <CAS_RN>
146-68-9

$$$$
89503
  Marvin  03121014323D          

 30 31  0  0  0  0            999 V2000
   -0.4310    1.5316   -1.9109 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0526    0.7988   -0.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8815    2.7147   -2.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0870   -0.7047   -0.4971 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3416    3.7775   -1.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8728    2.8743   -3.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2771   -0.1218    0.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7778    5.0095   -2.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3372    4.0658   -4.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1046    0.2093    1.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5469    0.0129   -0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722    6.0369   -1.3751 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7736    5.1224   -3.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1935    0.6795    2.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6361    0.4831    0.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0683    6.0286   -0.2118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6795    7.1039   -1.8459 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4613    0.8230    1.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7691    1.3982    2.8722 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1419    1.3881    0.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3427    3.6552   -0.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5459    2.1170   -4.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3514    4.1638   -5.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1893    0.1115    2.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6850   -0.2277   -1.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    5.9816   -4.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0561    0.9145    3.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5536    0.5750    0.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  2  0  0  0  0
  6 24  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
  9 25  1  0  0  0  0
 10 14  1  0  0  0  0
 10 26  1  0  0  0  0
 11 15  2  0  0  0  0
 11 27  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 28  1  0  0  0  0
 14 18  2  0  0  0  0
 14 29  1  0  0  0  0
 15 18  1  0  0  0  0
 15 30  1  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  2  12   1  17  -1
M  END
>  <NSC>
89503

>  <CAS_RN>
73651-48-6

$$$$
89587
  Marvin  03121014323D          

 42 44  0  0  0  0            999 V2000
    2.6209   -5.4247   -2.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4159   -6.5995   -2.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -5.5295   -1.4425 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0849   -7.7609   -1.6686 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4541   -6.6433   -3.0141 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0815   -2.9956   -2.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9119   -3.8026   -3.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -8.6637   -2.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5235   -7.9546   -0.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8988   -2.6849   -2.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0900   -1.7675    0.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2466   -0.0267    0.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8113   -2.6255    1.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9301    1.3595    0.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8648   -2.2501    2.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
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 11 14  1  0  0  0  0
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 13 33  1  0  0  0  0
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 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
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 19 20  2  0  0  0  0
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 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
>  <NSC>
89587

>  <CAS_RN>
66521-34-4

$$$$
89648
  Marvin  03121014323D          

 52 53  0  0  1  0            999 V2000
    0.2119   -0.8111    0.8713 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9857   -0.6786   -0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1317   -0.7951    1.9758 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7745    0.2827    1.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759   -1.7759   -0.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5807   -1.8899    2.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1110    0.0240    1.0023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4073    1.4662    1.2098 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -3.0812   -0.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3596   -1.5527   -0.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6187   -1.7174    3.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1566   -3.0441    2.4072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8504   -0.1190   -0.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4540   -4.1471   -1.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2755   -2.6177   -0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1220    0.6618    4.4882 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5207    0.1525    2.7580 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7698    1.8510    4.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4559    2.0379    6.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4789    2.0947    7.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1102    2.1729    6.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1638    2.2923    8.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7945    2.3609    8.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213    2.4192    9.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3521   -1.7495    0.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5458   -3.2660   -1.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4371   -0.9444   -0.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1717   -1.7512    2.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 29  1  0  0  0  0
  2  5  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  6  1  0  0  0  0
  3 32  1  0  0  0  0
  4  7  1  0  0  0  0
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  5 10  1  0  0  0  0
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  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 33  1  0  0  0  0
 10 15  2  0  0  0  0
 10 34  1  0  0  0  0
 11 16  1  0  0  0  0
 11 35  1  0  0  0  0
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 13 17  1  0  0  0  0
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 14 39  1  0  0  0  0
 15 18  1  0  0  0  0
 15 40  1  0  0  0  0
 16 19  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 24  2  0  0  0  0
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 24 48  1  0  0  0  0
 25 27  2  0  0  0  0
 25 49  1  0  0  0  0
 26 28  2  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END
>  <NSC>
89648

>  <CAS_RN>
5276-61-9

$$$$
89830
  Marvin  03121014323D          

 34 35  0  0  0  0            999 V2000
    2.3847    1.7545    3.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3641    2.2472    3.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8011    1.1468    1.9863 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8792    1.8757    3.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8049    2.4220    4.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1165    0.6979    1.2094 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9345    0.9147    1.5840 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2892    1.4007    2.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4747    2.5749    4.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0751    2.0643    3.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0108    3.1397    5.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5478    0.6484    1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4590    1.2378    2.1439 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8728    2.3918    4.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4178    3.0981    5.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0579   -0.4680   -0.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2232    3.4682    6.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4812    1.4539    2.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9985    3.3354    5.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2261    2.1538    3.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2876    3.9789    6.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8334    2.5693    4.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3273    3.3325    5.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6646   -1.1954   -0.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6407   -0.9709   -1.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6646    0.3651   -1.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 23  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
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  9 24  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 11 25  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  2  0  0  0  0
 13 26  1  0  0  0  0
 14 20  1  0  0  0  0
 14 27  1  0  0  0  0
 16 21  2  0  0  0  0
 16 28  1  0  0  0  0
 17 21  1  0  0  0  0
 17 29  1  0  0  0  0
 18 22  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  CHG  2   3   1   7  -1
M  END
>  <NSC>
89830

>  <CAS_RN>
5025-52-5

$$$$
90083
  Marvin  03121014323D          

 19 19  0  0  0  0            999 V2000
    0.3627   -0.7196   -0.8385 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6685    0.1518   -2.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4066    0.3360    0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5841    0.3126    1.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5120    1.2081    0.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7756   -0.5783    1.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4369    1.1876    2.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    2.0586    1.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6678    2.0505    2.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8085   -0.4885   -2.9327 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5609   -1.5215    1.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5775   -0.0693    1.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1352    1.2051    3.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4525    2.6816    1.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7647    2.6668    3.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
>  <NSC>
90083

>  <CAS_RN>
14092-00-3

$$$$
90689
  Marvin  03121014323D          

 24 26  0  0  0  0            999 V2000
    1.3301    0.2194   -0.0522 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3572   -0.2041   -0.3818 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6933   -0.6233    0.6603 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8635    1.4471   -0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5255    2.4483   -1.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4296    1.7874    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7771    2.5676   -1.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8770    3.6807   -1.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0494    3.0230   -0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8232    3.8368   -2.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9005    1.7242   -2.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6560    4.5217   -2.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3939    3.9842   -0.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7384    3.3860    0.5683 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    4.2873   -3.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0067    2.1549   -2.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3593    5.6786   -2.5775 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0172    3.4319   -3.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4845    3.9866   -4.4155 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9606    1.1296    0.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9600    0.7982   -1.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8352    4.8864   -1.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142    5.2162   -3.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8076    1.5327   -2.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
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  6 20  1  0  0  0  0
  7 10  2  0  0  0  0
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  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 12  1  0  0  0  0
 11 16  2  0  0  0  0
 11 21  1  0  0  0  0
 12 17  2  0  0  0  0
 13 22  1  0  0  0  0
 15 18  2  0  0  0  0
 15 23  1  0  0  0  0
 16 18  1  0  0  0  0
 16 24  1  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
>  <NSC>
90689

>  <CAS_RN>
1785-04-2

$$$$
90690
  Marvin  03121014323D          

 24 26  0  0  0  0            999 V2000
    1.4569   -0.0630   -0.1012 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4170   -0.3300    0.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5147   -1.1706    1.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8291    0.2763    0.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5583   -1.9519    2.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5871   -1.3344    2.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9399    0.0854    1.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0960   -2.5359    3.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8638   -2.2255    1.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2295   -2.1589    3.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203   -0.7129    2.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5651    0.9063    0.8907 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9228   -3.3637    4.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -3.0563    2.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9623   -2.4969    4.7264 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2383   -3.6147    3.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3659   -4.6859    4.9260 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3176    0.4791   -0.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447   -0.3886    0.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9307    0.8704   -0.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2109   -1.8485    1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6149   -0.8383    3.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738   -3.7755    5.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6483   -3.2551    2.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4 20  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9 14  2  0  0  0  0
  9 21  1  0  0  0  0
 10 15  2  0  0  0  0
 11 22  1  0  0  0  0
 13 16  2  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
90690

>  <CAS_RN>
1785-11-1

$$$$
90874
  Marvin  03121014323D          

 21 22  0  0  1  0            999 V2000
    0.9658   -0.3502    1.0428 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2935    0.4449   -0.0040 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1505   -0.9428    1.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8490   -1.3678    0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1992   -0.4015   -1.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9867    0.8903    0.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4558   -0.2647    1.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0933   -1.6428   -1.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6024    0.3103    1.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2319   -2.0273    1.8465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -0.7075    2.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0110   -2.2824    0.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8209   -0.9159    0.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8221   -0.7252   -1.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5604    0.1834   -2.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7972    1.7769    1.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7389    1.1503   -0.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0687   -0.9632    0.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0381    0.1034    2.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4779   -2.5412   -0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7867   -1.7879   -1.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
>  <NSC>
90874

>  <CAS_RN>
643-20-9

$$$$
90939
  Marvin  03121014323D          

 51 49  0  0  0  0            999 V2000
   -9.2936   -0.1712    0.2164 N   0  0  1  0  0  0  0  0  0  0  0  0
   -8.0815    0.3353   -0.1102 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1087    0.8813    0.4617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7723   -0.7932   -0.8865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5241   -0.4476   -0.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7231    1.3221    1.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6565   -1.1266   -0.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3744   -0.3785   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0385   -0.1652    0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2113   -1.3922   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2457    0.9847   -0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5493   -1.4440   -0.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8169   -2.4330    0.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9459    1.2280    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5730   -0.5327    0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9010    0.7791   -0.4717 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8463    1.9596    1.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9033   -0.5146   -0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6894    0.9138   -0.1066 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9651    0.1913   -0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6677    0.3293   -0.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2512    0.1218   -0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8789    1.0479    1.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4861    0.6306   -0.3349 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053   -0.5590   -1.6736 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.2932   -1.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4572   -1.0856    0.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1480    0.0567    1.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1233    0.7303   -1.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8318    1.9073   -0.4495 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9318   -2.4688   -0.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4899   -1.1480   -1.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6188   -3.1447    1.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5262   -1.9917    1.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9739   -2.9964    0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6617   -0.8891    1.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1867    0.4910    0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3410    1.3424    2.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8240    2.2396    1.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2678    2.8721    1.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0284   -1.0695   -1.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5004    1.4840    0.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
90939

>  <CAS_RN>
999-99-9

$$$$
91061
  Marvin  03121014323D          

 50 51  0  0  1  0            999 V2000
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M  END
>  <NSC>
91061

>  <CAS_RN>
999-99-9

$$$$
91771
  Marvin  03121014323D          

 88 94  0  0  1  0            999 V2000
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M  END
>  <NSC>
91771

>  <CAS_RN>
23495-89-8

$$$$
92439
  Marvin  03121014323D          

 34 38  0  0  0  0            999 V2000
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M  END
>  <NSC>
92439

>  <CAS_RN>
258-76-4

$$$$
92700
  Marvin  03121014323D          

 31 32  0  0  0  0            999 V2000
   -0.1212   -0.4914    0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  2  0  0  0  0
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 16 31  1  0  0  0  0
M  END
>  <NSC>
92700

>  <CAS_RN>
18042-62-1

$$$$
92832
  Marvin  03121014323D          

 36 40  0  0  1  0            999 V2000
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   -2.3325    0.7433    0.1127 C   0  0  1  0  0  0  0  0  0  0  0  0
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 13 18  2  0  0  0  0
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 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
>  <NSC>
92832

>  <CAS_RN>
51864-00-7

$$$$
93497
  Marvin  03121014323D          

 50 51  0  0  0  0            999 V2000
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    3.4625    4.8218    1.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1896    3.5574   -1.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0044    3.5567   -3.0287 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5049    4.2823    3.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0859    5.4005    2.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
93497

>  <CAS_RN>
34153-41-8

$$$$
95851
  Marvin  03121014323D          

 22 22  0  0  0  0            999 V2000
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 10 12  2  0  0  0  0
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 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
>  <NSC>
95851

>  <CAS_RN>
6501-96-8

$$$$
96316
  Marvin  03121014323D          

 45 47  0  0  0  0            999 V2000
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 24 45  1  0  0  0  0
M  END
>  <NSC>
96316

>  <CAS_RN>
999-99-9

$$$$
96555
  Marvin  03121014323D          

 61 65  0  0  0  0            999 V2000
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   -6.3103    5.3443   -1.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4051    4.1299   -3.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1332    3.5283   -1.7590 O   0  0  0  0  0  0  0  0  0  0  0  0
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 33 34  1  0  0  0  0
 33 60  1  0  0  0  0
 34 61  1  0  0  0  0
M  END
>  <NSC>
96555

>  <CAS_RN>
999-99-9

$$$$
96562
  Marvin  03121014323D          

 23 26  0  0  1  0            999 V2000
   -0.4042    0.4603   -1.3192 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0493    0.3591   -0.8319 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
>  <NSC>
96562

>  <CAS_RN>
52154-83-3

$$$$
96862
  Marvin  03121014323D          

 33 33  0  0  1  0            999 V2000
   -0.1404   -1.5407   -1.2982 Si  0  0  1  0  0  0  0  0  0  0  0  0
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 15 33  1  0  0  0  0
M  END
>  <NSC>
96862

>  <CAS_RN>
999-99-9

$$$$
97378
  Marvin  03121014323D          

 12 11  0  0  0  0            999 V2000
   -0.0346   -0.1025   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
97378

>  <CAS_RN>
16051-87-9

$$$$
98054
  Marvin  03121014323D          

 58 62  0  0  1  0            999 V2000
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 25 26  1  0  0  0  0
 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
M  END
>  <NSC>
98054

>  <CAS_RN>
999-99-9

$$$$
98133
  Marvin  03121014323D          

 25 25  0  0  0  0            999 V2000
    0.3771    0.2719    1.2208 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 14  1  0  0  0  0
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 13 25  1  0  0  0  0
M  END
>  <NSC>
98133

>  <CAS_RN>
21437-82-1

$$$$
98651
  Marvin  03121014323D          

 34 35  0  0  0  0            999 V2000
    0.2516    0.4399    0.3620 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2960    1.6536    0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5144    2.0707    0.4727 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4202    1.3793    1.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2194   -1.7236    0.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END
>  <NSC>
98651

>  <CAS_RN>
13908-56-0

$$$$
98774
  Marvin  03121014323D          

 41 40  0  0  0  0            999 V2000
    2.2499   -0.6239    0.6783 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.5195   -0.9775   -0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2114    0.1976   -0.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6273   -0.1323   -1.4002 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1905    0.9398   -0.6362 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1945   -1.3248    3.6213 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2543   -3.3002    2.6030 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3298    1.1412   -1.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  4 20  1  0  0  0  0
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  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
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 12 30  1  0  0  0  0
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 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
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 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
M  END
>  <NSC>
98774

>  <CAS_RN>
7409-53-2

$$$$
98994
  Marvin  03121014323D          

 41 42  0  0  1  0            999 V2000
   -1.8878   -4.8869    0.6034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4374   -4.9678    1.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9119   -4.5383   -0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1053   -2.9633   -1.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8516   -2.1683   -0.4302 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1314   -6.8241   -0.2794 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0099   -5.2147   -1.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0539   -3.9291   -2.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3424   -0.8109   -0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
98994

>  <CAS_RN>
999-99-9

$$$$
99909
  Marvin  03121014323D          

 36 36  0  0  0  0            999 V2000
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   -2.2424   -4.5913   -1.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
99909

>  <CAS_RN>
999-99-9

$$$$
100300
  Marvin  03121014323D          

 56 55  0  0  0  0            999 V2000
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M  END
>  <NSC>
100300

>  <CAS_RN>
999-99-9

$$$$
100645
  Marvin  03121014323D          

 18 17  0  0  0  0            999 V2000
   -1.1448   -0.4701   -1.4990 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -0.2505    2.0782   -1.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3827    1.7032   -0.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
M  END
>  <NSC>
100645

>  <CAS_RN>
999-99-9

$$$$
100647
  Marvin  03121014323D          

 31 33  0  0  1  0            999 V2000
    4.3017   -8.8129   -2.7995 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6948   -9.8159   -3.2417 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9701   -8.9163   -1.5831 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1639   -6.9795   -3.9045 Co  0  0  0  0  0  0  0  0  0  0  0  0
    3.2337   -6.1537   -2.1735 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0925   -7.5916   -5.7910 N   0  0  1  0  0  0  0  0  0  0  0  0
    6.2796   -6.4782   -3.5580 N   0  0  1  0  0  0  0  0  0  0  0  0
    4.0896   -4.8997   -4.6402 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880   -7.6744   -5.0093 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8481   -5.6253   -1.3378 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9852   -6.1969   -1.9662 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.4631   -8.0853   -5.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1524   -8.3170   -6.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0643   -7.5465   -4.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4907   -5.0722   -3.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4629   -4.5748   -5.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8644   -8.7266   -5.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -4.3196   -3.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0949   -6.8855   -5.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0815   -7.7509   -6.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4806   -9.1778   -5.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6133   -9.2013   -7.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8894   -7.6338   -7.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1062   -8.3726   -3.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0989   -7.2326   -4.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3912   -4.4491   -3.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5010   -4.9130   -4.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6713   -5.0178   -6.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5423   -3.4915   -5.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0525   -9.6308   -5.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0751   -8.9476   -6.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  9 17  1  0  0  0  0
  9 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 17  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  CHG  5   1   1   3  -1   4  -4   5   1  11  -1
M  END
>  <NSC>
100647

>  <CAS_RN>
27883-40-5

$$$$
100662
  Marvin  03121014323D          

 17 16  0  0  0  0            999 V2000
   -1.6789   -0.2556   -0.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292    0.5092   -1.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4491    0.1363   -0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7484   -0.1073   -1.7672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5178    1.9375   -1.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5354   -0.8779    0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1338    1.3402   -0.0939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8594    0.0316   -0.7060 B   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2477    0.3222   -1.1275 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5880   -0.2386    0.7255 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8850   -1.2276   -0.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3550    2.4818   -0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4347    2.3211   -2.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6956    2.1378   -2.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4062   -0.4157    0.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0775   -1.5595    0.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763   -1.4484   -0.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <NSC>
100662

>  <CAS_RN>
42498-48-6

$$$$
100711
  Marvin  03121014323D          

 56 59  0  0  0  0            999 V2000
   -3.2365    2.0557    2.6643 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1875    1.2673    1.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6086    3.3284    2.8873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5080    1.3658    3.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5496    2.3460    1.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8242    1.1077    2.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0830    1.9123    5.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1782    0.1139    4.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3060    3.5048    2.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0890    1.4885    0.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3180    1.9268    2.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6929    0.0473    3.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3336    1.2559    6.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4289   -0.5487    5.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5039    3.8195    1.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2915    1.7906    0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2149    3.0533    1.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5637    1.6495    2.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5015   -0.1892    4.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0123    0.0267    6.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9966    2.9607    0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4421    2.7255   -0.3383 N   0  0  1  0  0  0  0  0  0  0  0  0
    1.6310    0.6060    3.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7740    2.3562    2.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.7512   -1.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7748    1.3259   -0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8282    0.3399    4.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9600    2.0905    3.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9872    1.0856    4.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5609    0.2677    1.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1131    1.7537    0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6240    3.7899    2.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5730    2.7963    5.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4828   -0.3364    3.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9845    4.1448    3.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6173    0.6243    0.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4768   -0.5820    3.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0212    1.6730    7.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9121   -1.4505    5.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0165    4.6741    1.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6526    1.1585   -0.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681    3.5078    1.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8364    3.8869    1.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379   -0.9588    4.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2035   -0.4476    7.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8679    3.1843    0.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8321    3.0782    1.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1564    3.5631   -2.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7993    4.7473   -0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2603    3.7419   -0.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0071    0.6440   -0.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    1.2221   -1.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7291    1.0260   -0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8712   -0.4000    5.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8086    2.6254    3.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8506    0.8898    4.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 33  1  0  0  0  0
  8 14  2  0  0  0  0
  8 34  1  0  0  0  0
  9 15  1  0  0  0  0
  9 35  1  0  0  0  0
 10 16  2  0  0  0  0
 10 36  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  2  0  0  0  0
 12 37  1  0  0  0  0
 13 20  2  0  0  0  0
 13 38  1  0  0  0  0
 14 20  1  0  0  0  0
 14 39  1  0  0  0  0
 15 21  2  0  0  0  0
 15 40  1  0  0  0  0
 16 21  1  0  0  0  0
 16 41  1  0  0  0  0
 17 22  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 23  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  2  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 29  2  0  0  0  0
 27 54  1  0  0  0  0
 28 29  1  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
>  <NSC>
100711

>  <CAS_RN>
999-99-9

$$$$
100737
  Marvin  03121014323D          

 19 19  0  0  0  0            999 V2000
   -3.6807    0.9783   -1.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1959    0.9150   -1.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3422    0.3501   -0.4807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3888    1.7138   -2.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5411   -0.0946    0.1298 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7178    2.4509   -3.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8093    1.7312   -2.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1088   -0.0148    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4270    3.1666   -4.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5236    2.4445   -3.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2543    0.0334   -0.0459 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8331    3.1659   -4.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6827    4.0285   -5.5311 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8066    1.9283   -1.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8066    0.4929   -2.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6986    2.4814   -3.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3516    1.2210   -1.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9138    3.6873   -5.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5467    2.4341   -3.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  7 10  2  0  0  0  0
  7 17  1  0  0  0  0
  8 11  3  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
100737

>  <CAS_RN>
19339-59-4

$$$$
100978
  Marvin  03121014323D          

 27 28  0  0  0  0            999 V2000
    4.1786    2.7711    0.6863 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1811    1.7781   -0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1386    1.0210    0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 27  1  0  0  0  0
M  END
>  <NSC>
100978

>  <CAS_RN>
999-99-9

$$$$
101088
  Marvin  03121014323D          

 72 77  0  0  1  0            999 V2000
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M  END
>  <NSC>
101088

>  <CAS_RN>
5119-48-2

$$$$
101231
  Marvin  03121014323D          

 56 59  0  0  1  0            999 V2000
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 25 55  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 56  1  0  0  0  0
M  END
>  <NSC>
101231

>  <CAS_RN>
999-99-9

$$$$
102359
  Marvin  03121014323D          

 48 50  0  0  0  0            999 V2000
   -1.2461   -1.3085    0.5209 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8119   -0.2613    1.0851 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5167   -3.9362    0.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
>  <NSC>
102359

>  <CAS_RN>
999-99-9

$$$$
102367
  Marvin  03121014323D          

 30 32  0  0  1  0            999 V2000
    0.5415   -0.7902    0.1619 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5010   -1.2119    1.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1227   -0.2670   -0.9906 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
102367

>  <CAS_RN>
20371-86-2

$$$$
104508
  Marvin  03121014323D          

 68 71  0  0  0  0            999 V2000
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M  END
>  <NSC>
104508

>  <CAS_RN>
999-99-9

$$$$
104946
  Marvin  03121014323D          

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M  END
>  <NSC>
104946

>  <CAS_RN>
7224-94-4

$$$$
104957
  Marvin  03121014323D          

 20 20  0  0  0  0            999 V2000
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M  END
>  <NSC>
104957

>  <CAS_RN>
825-21-8

$$$$
105293
  Marvin  03121014323D          

 22 22  0  0  1  0            999 V2000
   -2.4026   -1.4538   -3.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
105293

>  <CAS_RN>
999-99-9

$$$$
105444
  Marvin  03121014323D          

 54 57  0  0  0  0            999 V2000
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M  END
>  <NSC>
105444

>  <CAS_RN>
999-99-9

$$$$
105466
  Marvin  03121014323D          

 69 74  0  0  1  0            999 V2000
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    4.6826    0.7493   -0.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  4  2  0  0  0  0
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  6 10  1  0  0  0  0
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  9 52  1  0  0  0  0
 10 13  1  0  0  0  0
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 13 53  1  0  0  0  0
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 14 54  1  0  0  0  0
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 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  2  0  0  0  0
 17 56  1  0  0  0  0
 18 24  2  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 19 57  1  0  0  0  0
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 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 23  1  0  0  0  0
 22 29  2  0  0  0  0
 25 30  2  0  0  0  0
 25 31  1  0  0  0  0
 26 32  1  0  0  0  0
 28 33  1  0  0  0  0
 28 34  2  0  0  0  0
 29 35  1  0  0  0  0
 29 34  1  0  0  0  0
 30 36  1  0  0  0  0
 30 59  1  0  0  0  0
 31 37  2  0  0  0  0
 31 60  1  0  0  0  0
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 33 61  1  0  0  0  0
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 36 40  2  0  0  0  0
 36 64  1  0  0  0  0
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 37 65  1  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
 40 43  1  0  0  0  0
 41 44  1  0  0  0  0
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 44 46  2  0  0  0  0
 44 68  1  0  0  0  0
 45 46  1  0  0  0  0
 45 69  1  0  0  0  0
 46 47  1  0  0  0  0
M  END
>  <NSC>
105466

>  <CAS_RN>
999-99-9

$$$$
105514
  Marvin  03121014323D          

 23 23  0  0  0  0            999 V2000
   -0.7509    2.2913    0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4867    1.6088    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6328    3.7760    0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4119    0.0647    0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0012    4.5047    1.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1290    4.4847   -0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5664   -0.5118   -0.5394 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5107    3.8813    2.7397 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1231    5.9057    1.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0032    5.8836   -0.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3785    6.5939    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6506    1.9702    0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3906    1.9301    0.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3539   -0.2758    1.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3955    3.5705    2.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5844    6.4258    2.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3662    6.3836   -1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2868    7.6099    0.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
>  <NSC>
105514

>  <CAS_RN>
1481-92-1

$$$$
106364
  Marvin  03121014323D          

 26 28  0  0  0  0            999 V2000
    0.2241    2.2922   -4.7423 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    2.8316   -5.8890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6455    2.4478   -3.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5489    1.8248   -2.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8050    3.2060   -3.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6231    2.2121   -1.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4097    0.9133   -2.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161    3.0655   -2.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4090    4.0160   -4.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7647    1.7355   -0.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2708    0.4007   -0.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6288    3.7086   -2.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6282    4.6636   -4.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8122    0.8199    0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799   -0.4883   -0.3322 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2349    4.5092   -3.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0135    0.2380    1.6099 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0040    2.4802   -6.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1907    0.6210   -2.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9832    4.1414   -5.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5474    2.0439    0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0674    3.5967   -1.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0763    5.2484   -5.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9223   -0.7645   -0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0904   -0.8604    0.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1202    4.9796   -3.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 19  1  0  0  0  0
  8 12  1  0  0  0  0
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 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 15  1  0  0  0  0
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 12 16  2  0  0  0  0
 12 22  1  0  0  0  0
 13 16  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
>  <NSC>
106364

>  <CAS_RN>
22771-52-4

$$$$
106366
  Marvin  03121014323D          

 26 28  0  0  0  0            999 V2000
    0.0771    2.4923   -4.7238 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0058    3.0881   -5.8413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7399    2.6204   -3.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8772    3.4040   -3.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5980    1.9385   -2.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308    3.2198   -2.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5064    4.2744   -4.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6259    2.3118   -1.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3602    0.9811   -2.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6126    3.8722   -1.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6927    4.9374   -4.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7249    1.7710   -0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2553    0.4031   -0.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2405    4.7356   -2.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7778    0.8061    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326   -0.5342   -0.4651 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1144    0.7053   -2.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0165    3.7221   -1.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4689    2.0584    0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1036    5.2121   -2.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8505    0.3933    0.9389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8521   -0.8228   -1.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0409   -0.9226    0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 19  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 20  1  0  0  0  0
 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
>  <NSC>
106366

>  <CAS_RN>
23818-29-3

$$$$
106368
  Marvin  03121014323D          

 28 30  0  0  0  0            999 V2000
    0.1910    2.3451   -4.7777 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2687    1.6806   -4.8452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975    2.4044   -3.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7516    3.1554   -3.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5013    1.7819   -2.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3715    3.0259   -2.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    3.9603   -4.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5885    2.1753   -1.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4429    0.8709   -2.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5818    3.6752   -2.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625    4.6374   -4.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7576    1.7124   -0.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2752    0.3681   -0.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1664    4.4719   -3.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1449    5.4084   -5.4530 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8177    0.7990    0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1609   -0.5337   -0.2289 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6891    5.5734   -6.5170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2415    6.0250   -5.2556 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0430    0.2322    1.6756 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6024    1.8416   -5.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8599    4.0466   -5.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2346    0.5615   -2.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0358    3.5696   -1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5501    2.0290    0.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0513    4.9341   -3.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9062   -0.8238   -0.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0472   -0.9008    0.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 22  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 23  1  0  0  0  0
 10 14  2  0  0  0  0
 10 24  1  0  0  0  0
 11 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 12 25  1  0  0  0  0
 13 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  CHG  2  15   1  19  -1
M  END
>  <NSC>
106368

>  <CAS_RN>
22296-46-4

$$$$
106369
  Marvin  03121014323D          

 26 28  0  0  0  0            999 V2000
   -2.8521    3.3842   -2.1322 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8925    3.9544   -1.6839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1050    2.5531   -1.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
>  <NSC>
106369

>  <CAS_RN>
22771-54-6

$$$$
106408
  Marvin  03121014323D          

 43 45  0  0  1  0            999 V2000
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 22 24  2  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
>  <NSC>
106408

>  <CAS_RN>
5544-25-2

$$$$
106492
  Marvin  03121014323D          

 51 53  0  0  1  0            999 V2000
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 30 51  1  0  0  0  0
M  END
>  <NSC>
106492

>  <CAS_RN>
999-99-9

$$$$
106907
  Marvin  03121014323D          

 36 37  0  0  0  0            999 V2000
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  1 21  1  0  0  0  0
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 17 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
>  <NSC>
106907

>  <CAS_RN>
999-99-9

$$$$
107126
  Marvin  03121014323D          

 66 69  0  0  1  0            999 V2000
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 28 30  2  0  0  0  0
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 29 65  1  0  0  0  0
 29 66  1  0  0  0  0
M  END
>  <NSC>
107126

>  <CAS_RN>
3517-38-2

$$$$
107255
  Marvin  03121014323D          

 47 49  0  0  1  0            999 V2000
   -5.6669   -2.0766   -0.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5585   -1.5517    0.1007 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
107255

>  <CAS_RN>
6518-45-2

$$$$
107425
  Marvin  03121014323D          

 36 38  0  0  0  0            999 V2000
   -0.8953    1.9360   -4.0996 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1420    3.0495   -3.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7280    5.0806    1.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 23  1  0  0  0  0
  2  4  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 26  1  0  0  0  0
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  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
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 19 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
>  <NSC>
107425

>  <CAS_RN>
21266-67-1

$$$$
107435
  Marvin  03121014323D          

 52 55  0  0  0  0            999 V2000
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   -2.0936   -3.3994   -4.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8778   -5.4317   -7.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 27  2  0  0  0  0
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 25 48  1  0  0  0  0
 26 29  2  0  0  0  0
 26 49  1  0  0  0  0
 27 29  1  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  END
>  <NSC>
107435

>  <CAS_RN>
999-99-9

$$$$
107450
  Marvin  03121014323D          

 31 32  0  0  1  0            999 V2000
   -0.3930    0.4605    1.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3195   -0.2544    0.2753 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0644    1.4958    1.7310 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4994    0.3192    2.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
107450

>  <CAS_RN>
39829-15-7

$$$$
107504
  Marvin  03121014323D          

 39 41  0  0  1  0            999 V2000
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    7.0359    2.5543   -6.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 22  1  0  0  0  0
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  2 24  1  0  0  0  0
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 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
>  <NSC>
107504

>  <CAS_RN>
13389-11-2

$$$$
108121
  Marvin  03121014323D          

 39 40  0  0  0  0            999 V2000
   -0.1814    2.3137    0.4459 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627    0.9931    0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7912    3.4980    1.0737 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0623   -0.1434    0.1867 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8096    3.8901    0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3994    3.3128    2.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2399    4.6865    1.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222   -0.3637   -0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7788   -1.2262   -1.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2  6  2  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
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  4  9  1  0  0  0  0
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 10 14  2  0  0  0  0
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 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
>  <NSC>
108121

>  <CAS_RN>
999-99-9

$$$$
108315
  Marvin  03121014323D          

 34 36  0  0  0  0            999 V2000
   -0.6243   -0.4220   -2.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5578   -0.7852   -0.9562 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1217   -0.1159    0.1171 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0509   -1.4942   -4.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3230   -0.9931    0.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8867    0.1130    1.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5049    0.8594   -0.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9987   -1.4623   -1.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  5 21  1  0  0  0  0
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 10 13  2  0  0  0  0
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 11 15  1  0  0  0  0
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 16 31  1  0  0  0  0
 17 20  2  0  0  0  0
 17 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
>  <NSC>
108315

>  <CAS_RN>
999-99-9

$$$$
108719
  Marvin  03121014323D          

 29 28  0  0  1  0            999 V2000
    2.2631   -1.5500    0.4909 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5190   -2.0686    1.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090   -1.8441    0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8787   -3.7020   -0.7077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9365   -2.6246    1.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1393   -1.4259    1.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1674   -2.1081    1.5705 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2661   -1.3129    2.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9450   -2.6904    1.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2765   -1.1488    1.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
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  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
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  9 11  1  0  0  0  0
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 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
>  <NSC>
108719

>  <CAS_RN>
1471-56-3

$$$$
108734
  Marvin  03121014323D          

 44 43  0  0  0  0            999 V2000
   -0.3829    0.5356    0.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    0.6008   -0.8403 N   0  3  2  0  0  0  0  0  0  0  0  0
    0.4667    0.5070    1.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6618    0.6187   -1.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2475   -0.6036   -1.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1920    1.8553   -0.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3812    0.4405    3.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4956    0.4135    4.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3397    0.3469    5.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5451    0.3203    6.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3526    0.2448    8.4836 Si  0  0  1  0  0  0  0  0  0  0  0  0
   -1.3280   -1.2112    8.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3926    1.6478    8.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <NSC>
108734

>  <CAS_RN>
999-99-9

$$$$
108735
  Marvin  03121014323D          

 16 16  0  0  0  0            999 V2000
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  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <NSC>
108735

>  <CAS_RN>
6258-66-8

$$$$
108736
  Marvin  03121014323D          

 50 55  0  0  1  0            999 V2000
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 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <NSC>
108736

>  <CAS_RN>
999-99-9

$$$$
108737
  Marvin  03121014323D          

 43 46  0  0  1  0            999 V2000
    0.5660   -3.3509   -2.4590 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2853   -2.7932   -1.4687 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8759   -1.9972   -1.3055 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -0.0701    0.1454    0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  1  0  0  0  0
  4 25  1  0  0  0  0
  5  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 26  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 29  1  0  0  0  0
 11 17  2  0  0  0  0
 11 30  1  0  0  0  0
 12 18  1  0  0  0  0
 12 31  1  0  0  0  0
 13 19  2  0  0  0  0
 13 32  1  0  0  0  0
 14 20  1  0  0  0  0
 14 33  1  0  0  0  0
 15 21  2  0  0  0  0
 15 34  1  0  0  0  0
 16 22  2  0  0  0  0
 16 35  1  0  0  0  0
 17 22  1  0  0  0  0
 17 36  1  0  0  0  0
 18 23  2  0  0  0  0
 18 37  1  0  0  0  0
 19 23  1  0  0  0  0
 19 38  1  0  0  0  0
 20 24  2  0  0  0  0
 20 39  1  0  0  0  0
 21 24  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  CHG  2   2   1   4  -1
M  END
>  <NSC>
108737

>  <CAS_RN>
999-99-9

$$$$
108739
  Marvin  03121014323D          

 36 39  0  0  0  0            999 V2000
    3.7652    2.6920    0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    3.9264    0.3103 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4220    2.2470    1.5978 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1398    1.7867   -0.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3702    1.6975   -1.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1538    0.9809    0.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000    2.3511   -2.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    0.8566   -2.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3145    0.1618   -0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3825    2.2441   -4.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4891    3.0903   -2.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4910    0.1503   -1.8680 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3184    2.9371   -4.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4110    3.7869   -2.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5548   -1.5706    1.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0576   -0.4327   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3191    3.7212   -4.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4883   -2.3292    1.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0986   -1.1849    0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8151   -2.1323    1.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    2.8820    2.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0049    1.0148    1.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6695    3.1316   -1.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8265    0.1027   -4.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4349    1.3158   -5.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2827    2.8744   -5.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1569    4.3363   -2.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5152   -1.7296    1.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2852    0.2550   -1.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9877    4.2294   -4.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798   -3.0272    2.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0635   -1.0398   -0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5729   -2.6800    1.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 25  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 11 26  1  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 28  1  0  0  0  0
 16 20  2  0  0  0  0
 16 29  1  0  0  0  0
 17 20  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  1  0  0  0  0
 18 31  1  0  0  0  0
 19 22  2  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 23  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END
>  <NSC>
108739

>  <CAS_RN>
5278-84-2

$$$$
109138
  Marvin  03121014323D          

 16 16  0  0  0  0            999 V2000
   -0.6328    1.1015    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0602    0.0217    0.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0271    1.0978   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3313    0.0060   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724    2.3051   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897   -0.0981   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1863    3.5273   -0.0193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1296    2.2806   -0.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1462   -0.0608    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8193    1.1142    0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1691    1.1242    0.0234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1455    1.9699    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5696   -0.9444   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3404   -1.0162   -0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9939    3.7220    0.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4320    1.1017   -0.9207 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <NSC>
109138

>  <CAS_RN>
14859-93-9

$$$$
109497
  Marvin  03121014323D          

 38 40  0  0  1  0            999 V2000
   -0.7099   -0.9750   -1.1866 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3477    0.3607   -1.9248 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8811   -0.7515   -0.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240   -2.1127   -2.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0204    1.4890   -0.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138    0.1409   -2.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5537    0.3769    0.8456 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1370   -2.3167   -3.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1915    1.7126    0.1074 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4897   -0.9960   -3.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7152    0.5967    1.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8774    2.8502    1.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3911    1.7335    2.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0384    3.0543    2.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1619   -1.2945   -0.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2235    0.6866   -2.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7891   -0.4893   -0.7321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0735   -1.6838    0.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9377   -1.8737   -2.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1928   -3.0513   -1.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    1.2269   -0.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1721    2.4214   -1.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9925    1.0636   -3.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7347   -0.1096   -2.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6779    0.0509    1.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0206   -2.6846   -2.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1475   -3.0716   -3.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0633    2.0321   -0.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3521   -0.6950   -4.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3509   -1.1651   -4.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6361    0.8472    1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8939   -0.3261    2.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0363    2.6113    1.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7086    3.7888    0.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5493    1.4325    3.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2523    1.9026    3.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9220    3.4222    1.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7539    3.8092    2.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
M  END
>  <NSC>
109497

>  <CAS_RN>
6596-35-6

$$$$
109843
  Marvin  03121014323D          

 32 34  0  0  0  0            999 V2000
   -6.7658    1.6345   -1.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0533    2.8543   -1.7324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7088    0.7403   -0.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9782    3.3151   -2.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3258    3.7722   -0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6379   -0.1671   -0.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7035    0.8178    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6024    4.5149   -1.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2856    2.8058   -3.4456 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4471    4.7923   -0.7973 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5661   -0.9795    0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6250    0.0155    1.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4782    5.1975   -2.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2026    3.4794   -3.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5606   -0.8938    1.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9323    6.6956   -1.6075 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8115    4.6520   -3.3485 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4879   -1.8982    2.9796 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3798   -0.8582    4.3921 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8202   -2.7806    3.1210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2109   -2.8688    2.9737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3525    1.1168   -2.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8008    1.8748   -2.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0944    3.7089   -0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9013   -0.2376   -1.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4859    1.4707    0.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7820   -1.6273    0.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3458    0.1037    2.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6794    3.1080   -4.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7597    7.4535   -2.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2604   -1.4670    5.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2918   -0.4094    4.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 24  1  0  0  0  0
  6 11  1  0  0  0  0
  6 25  1  0  0  0  0
  7 12  2  0  0  0  0
  7 26  1  0  0  0  0
  8 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 27  1  0  0  0  0
 12 15  1  0  0  0  0
 12 28  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 17  1  0  0  0  0
 14 29  1  0  0  0  0
 15 18  1  0  0  0  0
 16 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
>  <NSC>
109843

>  <CAS_RN>
19271-00-2

$$$$
109964
  Marvin  03121014323D          

 45 47  0  0  0  0            999 V2000
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   -4.7013    0.1605    0.5793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6450    1.5041   -1.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1572   -1.3193   -3.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3 28  1  0  0  0  0
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 23 40  1  0  0  0  0
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 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  END
>  <NSC>
109964

>  <CAS_RN>
4831-23-6

$$$$
111034
  Marvin  03121014323D          

 31 32  0  0  0  0            999 V2000
   -2.7863   -2.2662    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0390   -1.0753    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1254   -3.3250   -0.1253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1818   -2.3741    0.1456 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7012   -0.9785   -0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 31  1  0  0  0  0
M  END
>  <NSC>
111034

>  <CAS_RN>
16619-19-5

$$$$
111065
  Marvin  03121014323D          

 34 35  0  0  0  0            999 V2000
    1.6141    5.2684   -4.9216 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7300    4.1346   -5.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465    5.8707   -6.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5043    3.5301   -3.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9912    6.8934   -6.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3803    2.3993   -3.7798 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1682    7.4951   -7.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1418    6.0526   -8.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 34  1  0  0  0  0
M  CHG  2  11   1  16  -1
M  END
>  <NSC>
111065

>  <CAS_RN>
19157-76-7

$$$$
111117
  Marvin  03121014323D          

 34 35  0  0  0  0            999 V2000
    0.1092   -0.4212    0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5080   -3.7380   -1.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0715   -1.7482   -3.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7006   -3.0123   -1.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 19  1  0  0  0  0
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  2  4  1  0  0  0  0
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  4  7  1  0  0  0  0
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  5  8  2  0  0  0  0
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 14 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <NSC>
111117

>  <CAS_RN>
999-99-9

$$$$
111199
  Marvin  03121014323D          

 35 36  0  0  0  0            999 V2000
    3.6444   -7.3315    5.1748 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2429   -5.7724    4.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7157   -2.1852    4.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3331   -1.4938    2.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6255   -3.4805    3.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316   -2.1771    3.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0442   -2.8921    0.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
>  <NSC>
111199

>  <CAS_RN>
999-99-9

$$$$
111216
  Marvin  03121014323D          

 19 20  0  0  0  0            999 V2000
    1.6575    1.8735    4.4295 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4565    1.5197    4.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7223    1.4463    5.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1732    3.4167    6.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2427    0.2190   -0.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
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  5 10  1  0  0  0  0
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  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 13  2  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <NSC>
111216

>  <CAS_RN>
15544-54-4

$$$$
111279
  Marvin  03121014323D          

 19 20  0  0  0  0            999 V2000
    1.2993   -0.8405   -0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0578   -0.2810   -0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862   -0.9392    0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5692    1.5242   -0.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2432   -1.0527    1.2064 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9187   -3.0382    0.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0845   -3.1172    1.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5403   -2.2924    2.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1096    2.5415   -2.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
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  6 10  1  0  0  0  0
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  7 11  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
>  <NSC>
111279

>  <CAS_RN>
78831-54-6

$$$$
111584
  Marvin  03121014323D          

 30 32  0  0  0  0            999 V2000
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   -0.6645    0.7023    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9977    2.5474   -0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0263    0.5125   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276   -0.5778    0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9541    3.9748    0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2657    1.9254   -0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2830   -0.8565   -0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966    1.4307    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0594   -0.9410    0.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1100   -1.4918   -0.0570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3179    4.7526    0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1646    4.7127    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4560    2.6692   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5928   -1.3637   -0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4197    0.9404   -0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    4.0643   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6657   -0.4483   -0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3614    0.9277   -0.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9237    2.4352    0.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1294    4.1969    0.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1550    5.7357    0.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
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 11 21  1  0  0  0  0
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 13 25  1  0  0  0  0
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 15 18  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
>  <NSC>
111584

>  <CAS_RN>
33829-04-8

$$$$
112778
  Marvin  03121014323D          

 22 22  0  0  0  0            999 V2000
   -1.0920   -3.3066   -0.7348 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0233   -2.5239   -0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2704   -4.5641   -1.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7714   -1.2162    0.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1691   -2.9718    0.1389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1355   -5.3172   -1.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5040   -5.1123   -1.4188 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6119   -0.5522    0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -6.6106   -2.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7038   -6.3503   -1.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4252    0.7642    0.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5956   -7.1362   -2.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6840    1.3185    0.3316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4142    1.5099    1.0569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2038   -2.9337   -0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5261   -0.7338    0.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8037   -4.9340   -1.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6566   -6.6996   -2.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2586    2.4468    1.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 18  1  0  0  0  0
  9 12  2  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
>  <NSC>
112778

>  <CAS_RN>
42574-71-0

$$$$
112896
  Marvin  03121014323D          

 38 38  0  0  0  0            999 V2000
    2.5519   -1.8521    0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150   -1.9745    0.6715 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -2.8628    0.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0968   -0.5934    0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5518   -3.1480    1.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4929   -0.4131   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2659    0.5309   -0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9516   -2.8480    1.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0389    0.8466   -0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8137    1.7901   -0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7223   -3.9638    2.1726 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2149    1.9842   -0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2634   -3.9078    1.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4098   -3.8537    3.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7435    3.1947   -0.8563 N   0  3  0  0  0  0  0  0  0  0  0  0
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    1.2478    0.4499   -0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0554   -1.8942    1.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0561    0.9224   -0.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1714    2.5741   -0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3642   -4.9398    1.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7641   -4.6353    2.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6440   -2.9167    2.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3286   -3.8557    3.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -2.8969    4.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4325   -3.4527   -0.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2407   -5.1824    0.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7865   -4.3659    0.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5105   -4.9031    5.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7283   -5.9637    4.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0453   -4.8891    4.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  6  2  0  0  0  0
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  5 20  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
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 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
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 13 29  1  0  0  0  0
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 15 18  2  0  0  0  0
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 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  CHG  2  15   1  19  -1
M  END
>  <NSC>
112896

>  <CAS_RN>
999-99-9

$$$$
113557
  Marvin  03121014323D          

 41 43  0  0  0  0            999 V2000
   -0.8627   -4.2585   -2.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4303   -4.6802   -1.3311 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2544   -3.0760   -2.6476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8636   -5.1195   -3.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -5.4032   -4.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0874   -5.6675   -4.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3933   -6.2125   -5.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5805   -4.8437   -3.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3893   -5.4148   -3.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0699   -6.4739   -5.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6837   -6.5016   -6.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8350   -6.7385   -6.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727   -3.4810   -3.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3794   -5.6931   -2.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2694   -7.0289   -5.8601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8764   -7.5268   -7.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2488   -2.5602   -4.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -3.0175   -3.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5363   -5.2086   -2.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2762   -7.7956   -7.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0764   -8.0396   -7.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3909   -2.9167   -5.6332 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -1.2242   -4.7125 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9122   -3.8682   -2.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1180   -5.5923   -1.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4337   -4.0705   -0.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8405   -6.3664   -3.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3140   -4.8287   -2.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0689   -4.8786   -4.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8543   -7.5787   -6.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5692   -6.0585   -5.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6325   -6.1143   -7.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1173   -6.6735   -2.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1783   -6.8862   -5.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0321   -7.7460   -7.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4538   -2.0470   -3.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0992   -5.8278   -1.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1551   -8.1728   -7.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0769   -8.5933   -8.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9496   -0.6131   -5.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7480   -3.5093   -2.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 15  1  0  0  0  0
 10 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 33  1  0  0  0  0
 15 20  2  0  0  0  0
 15 34  1  0  0  0  0
 16 21  2  0  0  0  0
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 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  2  0  0  0  0
 18 36  1  0  0  0  0
 19 24  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
>  <NSC>
113557

>  <CAS_RN>
999-99-9

$$$$
114640
  Marvin  03121014323D          

 39 40  0  0  1  0            999 V2000
   -0.5643    0.7426    0.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436    0.0631    0.0154 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    1.5294    1.7329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0378    0.5061    1.1538 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5483    0.1483   -0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6347   -0.2322   -0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2615   -0.3632    2.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8320    1.8427    1.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8572    0.3005    3.6499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    2.5587    2.5771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6101    1.6904    3.9177 P   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1508    1.4575    4.2668 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9340    2.4016    5.0113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6751    0.5867    5.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9345   -0.3271    5.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0783    0.6198    5.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9854   -1.1657    7.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6233   -1.9949    7.8880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9518   -3.2740    7.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1174   -0.1319    0.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019   -0.5378   -1.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8142    1.1645   -0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7094   -0.3942    0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4757    0.3604   -0.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1617   -1.2078   -0.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3086   -0.6798    2.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6695   -1.2786    2.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6472    2.5172    0.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9124    1.6509    1.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7858    2.0280    3.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9176   -0.3773    5.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6436    1.2746    4.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0341   -1.8519    7.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7448   -0.2003    6.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4566   -3.8633    8.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6298   -3.1720    6.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0510   -3.8139    7.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 12 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
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 15 33  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 17 35  1  0  0  0  0
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 18 36  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
>  <NSC>
114640

>  <CAS_RN>
27247-49-0

$$$$
114855
  Marvin  03121014323D          

 62 64  0  0  0  0            999 V2000
    0.4290   -0.7568   -0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6335   -0.3036    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7227   -0.0910   -0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0314   -0.8938    0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6671   -0.7054    0.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039    1.1964   -0.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0804   -0.4610    1.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8734   -0.0608    0.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2051    1.8440   -0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4772   -1.0596    0.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1843    1.2362    0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7547   -0.8153    1.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 62  1  0  0  0  0
M  END
>  <NSC>
114855

>  <CAS_RN>
55401-77-9

$$$$
114868
  Marvin  03121014323D          

 37 38  0  0  0  0            999 V2000
    0.3609   -0.0336   -0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
114868

>  <CAS_RN>
999-99-9

$$$$
115538
  Marvin  03121014323D          

 45 47  0  0  0  0            999 V2000
    7.8435    2.7017   -0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6574   -1.7312   -1.4328 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 27  2  0  0  0  0
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 27 45  1  0  0  0  0
M  END
>  <NSC>
115538

>  <CAS_RN>
5852-02-8

$$$$
115540
  Marvin  03121014323D          

 25 26  0  0  1  0            999 V2000
   -3.0499   -1.6907    1.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3664   -1.1905   -0.1569 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -2.5725    2.5889   -0.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3331   -3.3565   -0.7933 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1576    0.0597    0.1705 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7123   -1.8743   -0.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5311   -1.7783    0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8778   -0.4585   -0.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655    3.4098   -0.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7407    1.7430   -1.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6905   -3.9434   -1.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2989    3.6861   -1.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 21  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  8  9  1  0  0  0  0
 10 15  2  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 13 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
>  <NSC>
115540

>  <CAS_RN>
999-99-9

$$$$
115541
  Marvin  03121014323D          

 28 30  0  0  0  0            999 V2000
    2.5921    1.1602    1.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2351    1.6422    1.9721 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8598   -0.1737    0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6489    1.9517    0.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0516   -0.5216   -0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9073   -1.1881    0.9217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3775    3.3144    0.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6132    1.4415   -1.0064 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1069    0.4500   -0.4747 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2416   -1.8294   -0.4494 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8455   -0.9432    1.5428 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543   -2.5009    0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4255    3.8834   -0.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1294    3.0039   -1.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7218    0.9788    0.6326 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5830    1.4709   -1.2335 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0905   -0.1396   -1.2344 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3262   -2.8011   -0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4200   -3.6417    0.5745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3601   -4.2125   -0.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0898   -4.6334   -0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8490    3.8736    1.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1598    4.8686   -0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8335    3.2282   -1.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -3.7246    1.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3879   -4.3299   -1.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1933   -4.7345   -0.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7494   -5.5636   -0.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
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  7 22  1  0  0  0  0
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 10 18  1  0  0  0  0
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 13 23  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
M  END
>  <NSC>
115541

>  <CAS_RN>
999-99-9

$$$$
115542
  Marvin  03121014323D          

 22 23  0  0  0  0            999 V2000
   -2.6699   -0.3176   -4.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8670   -1.1198   -3.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3175   -2.7029   -1.8529 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2517    1.9018    1.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6282    0.6261    2.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
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  8 13  2  0  0  0  0
  8 19  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
>  <NSC>
115542

>  <CAS_RN>
1204-38-2

$$$$
116601
  Marvin  03121014323D          

 32 33  0  0  0  0            999 V2000
   -2.1095    1.3473    1.1453 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1060   -0.0411    1.2993 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5060    1.0807    1.8884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3707    2.5795    1.8617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    1.7309   -0.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1664   -1.1237    0.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.7430   -1.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6060    2.0059   -1.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379   -1.7313    0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4003   -1.6475    0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3489    2.0096   -2.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2369   -1.2716    0.4586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0006   -2.8112   -0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4350   -2.7234   -0.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2365   -3.3020   -1.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7565    2.5418   -4.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4005   -0.0123    1.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2785    1.5482   -1.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4344    2.0039   -0.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2829   -0.5358    1.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8665   -3.2420   -1.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3322   -3.0828   -1.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5795    3.2296   -4.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 19  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
  8 12  2  0  0  0  0
  8 21  1  0  0  0  0
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 10 15  2  0  0  0  0
 10 22  1  0  0  0  0
 11 16  2  0  0  0  0
 11 23  1  0  0  0  0
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 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
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 14 17  2  0  0  0  0
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 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
>  <NSC>
116601

>  <CAS_RN>
3624-90-6

$$$$
117177
  Marvin  03121014323D          

 68 72  0  0  1  0            999 V2000
   -0.2814    1.2830    2.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7267    1.6964    1.6791 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3956    2.6981    2.7252 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6546    2.4477    0.2757 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5847    0.3759    1.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8275    2.9082    2.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2996    2.2287    4.1067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5547    4.0249    2.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3296    3.8466    0.3812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7211    1.8986   -0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1828    0.6628    1.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3304    3.9943    1.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2238    1.2529    4.6429 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1252    4.5521    1.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6340    2.1892   -0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0149    1.0323   -1.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5903    5.6805    1.4443 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1112    1.4847   -1.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0981    0.7838   -2.5261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0937    3.0351    4.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7034    0.5369    5.0046 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8217    0.1283    6.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0674   -0.6228    4.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3097    0.0839    6.5218 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2657   -0.6357    7.6039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2232   -1.5160    4.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9730    1.0049    7.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7999   -1.3702    6.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2167   -2.8618    4.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3025   -1.0279    4.6714 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
117177

>  <CAS_RN>
2629-14-3

$$$$
117274
  Marvin  03121014323D          

 55 59  0  0  0  0            999 V2000
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M  END
>  <NSC>
117274

>  <CAS_RN>
999-99-9

$$$$
117275
  Marvin  03121014323D          

 49 53  0  0  0  0            999 V2000
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 10 20  2  0  0  0  0
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 13 39  1  0  0  0  0
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 16 24  2  0  0  0  0
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 17 40  1  0  0  0  0
 18 26  2  0  0  0  0
 18 24  1  0  0  0  0
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 19 28  2  0  0  0  0
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 22 30  2  0  0  0  0
 22 42  1  0  0  0  0
 24 31  1  0  0  0  0
 25 32  2  0  0  0  0
 25 43  1  0  0  0  0
 28 33  1  0  0  0  0
 29 34  2  0  0  0  0
 29 44  1  0  0  0  0
 30 34  1  0  0  0  0
 30 45  1  0  0  0  0
 31 35  2  0  0  0  0
 31 46  1  0  0  0  0
 32 35  1  0  0  0  0
 32 47  1  0  0  0  0
 34 48  1  0  0  0  0
 35 49  1  0  0  0  0
M  END
>  <NSC>
117275

>  <CAS_RN>
999-99-9

$$$$
117605
  Marvin  03121014323D          

 77 80  0  0  1  0            999 V2000
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 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  1  0  0  0  0
 24 27  1  0  0  0  0
 24 67  1  0  0  0  0
 24 68  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 69  1  0  0  0  0
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 28 71  1  0  0  0  0
 28 72  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 73  1  0  0  0  0
 32 74  1  0  0  0  0
 33 75  1  0  0  0  0
 33 76  1  0  0  0  0
 33 77  1  0  0  0  0
M  END
>  <NSC>
117605

>  <CAS_RN>
999-99-9

$$$$
117628
  Marvin  03121014323D          

 17 17  0  0  0  0            999 V2000
   -0.4671    0.5035    1.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1859   -0.1613    0.2999 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0927    1.4467    1.9060 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
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  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
>  <NSC>
117628

>  <CAS_RN>
29097-00-5

$$$$
117640
  Marvin  03121014323D          

 47 49  0  0  0  0            999 V2000
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M  END
>  <NSC>
117640

>  <CAS_RN>
57245-76-8

$$$$
117901
  Marvin  03121014323D          

 54 57  0  0  0  0            999 V2000
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 23 51  1  0  0  0  0
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 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
M  END
>  <NSC>
117901

>  <CAS_RN>
31695-59-7

$$$$
118020
  Marvin  03121014323D          

 46 50  0  0  0  0            999 V2000
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   -0.3828    1.1223    0.1958 N   0  0  0  0  0  0  0  0  0  0  0  0
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 27 46  1  0  0  0  0
M  END
>  <NSC>
118020

>  <CAS_RN>
20329-01-5

$$$$
118077
  Marvin  03121014323D          

 48 51  0  0  1  0            999 V2000
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    0.9153    3.0513    8.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
118077

>  <CAS_RN>
999-99-9

$$$$
118080
  Marvin  03121014323D          

 54 60  0  0  1  0            999 V2000
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 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END
>  <NSC>
118080

>  <CAS_RN>
999-99-9

$$$$
118081
  Marvin  03121014323D          

 45 48  0  0  1  0            999 V2000
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M  END
>  <NSC>
118081

>  <CAS_RN>
999-99-9

$$$$
120190
  Marvin  03121014323D          

116124  0  0  1  0            999 V2000
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M  END
>  <NSC>
120190

>  <CAS_RN>
999-99-9

$$$$
120860
  Marvin  03121014323D          

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M  END
>  <NSC>
120860

>  <CAS_RN>
999-99-9

$$$$
120905
  Marvin  03121014323D          

 34 35  0  0  1  0            999 V2000
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M  END
>  <NSC>
120905

>  <CAS_RN>
999-99-9

$$$$
120942
  Marvin  03121014323D          

 67 69  0  0  0  0            999 V2000
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M  END
>  <NSC>
120942

>  <CAS_RN>
20111-25-5

$$$$
121140
  Marvin  03121014323D          

 49 52  0  0  1  0            999 V2000
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   -6.5808    0.8197    1.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0940    1.7646    0.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7003   -3.7635    0.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1298   -2.9635   -0.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3713    0.7401   -1.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2125   -0.9484   -1.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8886    0.1492   -1.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4031   -0.4842    0.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6950   -3.0693    1.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2620   -2.7172   -0.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2467   -1.1585    2.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 25  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 26  1  0  0  0  0
  5 10  2  0  0  0  0
  5 27  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 28  1  0  0  0  0
  7 13  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 14  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
M  END
>  <NSC>
121140

>  <CAS_RN>
65-06-5

$$$$
121897
  Marvin  03121014323D          

 28 29  0  0  0  0            999 V2000
   -1.1362    1.8740   -3.5897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8718    1.0228   -4.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3086    1.6312   -2.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1453    1.3758   -4.9143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3154   -0.2353   -4.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132    2.4124   -1.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5536    0.6385   -1.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7510    2.7354   -4.7607 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8760    0.3832   -5.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0368   -1.1780   -5.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4149    2.1646   -0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7560    0.3830   -0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6684    2.7169   -3.7387 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3957    3.1380   -5.9079 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8376    3.7342   -4.5187 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3446   -0.9000   -5.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6246    3.1962    0.8407 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    1.1414    0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0456   -1.8234   -6.5960 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.1322   -1.6381   -6.9880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5780   -2.9739   -6.8705 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3755   -0.4788   -4.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7291    3.1705   -1.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1482    0.0963   -2.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8227    0.6049   -5.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5929   -2.0790   -5.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2205   -0.3512    0.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8427    0.9518    1.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 22  1  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  0  0  0  0
  7 12  2  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
  9 25  1  0  0  0  0
 10 16  1  0  0  0  0
 10 26  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 18  1  0  0  0  0
 12 27  1  0  0  0  0
 16 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  CHG  2  19   1  21  -1
M  END
>  <NSC>
121897

>  <CAS_RN>
999-99-9

$$$$
121981
  Marvin  03121014323D          

 28 29  0  0  0  0            999 V2000
    0.0211   -0.9913    0.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935   -0.7090    0.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.2145    0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0093    0.5328    0.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2450   -1.7287    1.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2867   -0.5797    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9008    0.9962   -0.2659 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894    0.7527    0.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251   -1.5222    1.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8076   -1.6820    0.3021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9643    0.4583   -0.4996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0517    1.3971   -0.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9416    1.9667    0.3890 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2093   -0.2860    1.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7859    2.9276    1.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5551   -0.0982    1.3618 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3211   -0.3834    0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2671   -1.9026    0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4763    1.3130    0.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8708   -2.6474    1.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2068   -2.2749    1.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345    2.2999   -1.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2473    3.8593    1.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304    3.1227    1.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846    2.6003    2.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3743   -0.2084    0.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2080   -1.4265   -0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0346    0.2759   -0.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 18  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  2  0  0  0  0
  5 20  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 14  1  0  0  0  0
  9 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
>  <NSC>
121981

>  <CAS_RN>
999-99-9

$$$$
121983
  Marvin  03121014323D          

 41 42  0  0  0  0            999 V2000
    3.4304    0.1631    2.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7691    0.2312    4.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670    0.0414    1.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4795    0.3050    5.2660 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.1964    4.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360    0.2770    1.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8999   -0.3457    0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1284   -0.7057    5.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6653   -0.6666    3.8332 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8270    1.0481    5.2433 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178   -0.0211   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140   -0.5459   -0.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7490   -0.2539    6.9235 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1764   -2.1262    5.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1074    0.0549   -0.4450 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711   -0.3899   -1.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1030   -2.9429    6.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3255   -2.7973    4.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7861   -1.2039   -0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8135   -0.6108   -2.3849 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1793   -4.3339    6.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3967   -4.1858    4.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8475    0.5916   -3.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3270   -4.9565    5.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4252    0.1886    3.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5401    1.1870    5.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9374    0.6698    1.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8873   -0.4925    0.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365    0.9983    5.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111   -0.8150   -1.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7440   -2.5339    7.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6209   -2.3062    4.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8116   -1.0938   -0.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3181   -2.0127   -0.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8158   -1.4839    0.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8536   -4.8921    6.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7669   -4.6354    3.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6462    0.3245   -4.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0826    1.2990   -2.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8269    1.0731   -3.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3837   -5.9635    5.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 25  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 26  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 27  1  0  0  0  0
  7 12  2  0  0  0  0
  7 28  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 29  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
 12 30  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 31  1  0  0  0  0
 18 22  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 36  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
>  <NSC>
121983

>  <CAS_RN>
2755-06-8

$$$$
122072
  Marvin  03121014323D          

 26 25  0  0  0  0            999 V2000
   -1.4576    0.4126    2.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5953   -0.8024    2.6001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6932    0.6084    1.1100 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0982    1.5599    2.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2607   -1.3550    3.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0086   -0.3358    0.4916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8204    2.9669    2.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1795   -2.7113    3.7240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9417   -0.6977    4.4289 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8283    0.2582   -0.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8353   -3.5020    4.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6676   -0.8191   -1.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6320    1.5123    0.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1796    1.4063    2.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7745    1.5855    3.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3465    3.7222    2.8303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1704    3.0271    1.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7512    3.1886    2.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5134    0.9838   -0.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2126    0.7672   -1.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
122072

>  <CAS_RN>
34375-74-1

$$$$
122083
  Marvin  03121014323D          

 33 33  0  0  0  0            999 V2000
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 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END
>  <NSC>
122083

>  <CAS_RN>
34375-75-2

$$$$
122084
  Marvin  03121014323D          

 31 31  0  0  0  0            999 V2000
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 14 31  1  0  0  0  0
M  END
>  <NSC>
122084

>  <CAS_RN>
999-99-9

$$$$
122119
  Marvin  03121014323D          

 40 40  0  0  0  0            999 V2000
   -2.5264   -2.3025   -0.0015 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -1.4906   -2.6571    2.4763 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0998   -4.0341    1.4973 O   0  0  0  0  0  0  0  0  0  0  0  0
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 19 38  1  0  0  0  0
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 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
>  <NSC>
122119

>  <CAS_RN>
999-99-9

$$$$
122130
  Marvin  03121014323D          

 21 22  0  0  0  0            999 V2000
   -0.2201   -2.4717   -0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  1   2   1
M  END
>  <NSC>
122130

>  <CAS_RN>
14696-40-3

$$$$
122857
  Marvin  03121014323D          

 46 46  0  0  0  0            999 V2000
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 20 46  1  0  0  0  0
M  END
>  <NSC>
122857

>  <CAS_RN>
15420-45-8

$$$$
123013
  Marvin  03121014323D          

 31 34  0  0  1  0            999 V2000
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M  END
>  <NSC>
123013

>  <CAS_RN>
65556-45-8

$$$$
123048
  Marvin  03121014323D          

 29 29  0  0  1  0            999 V2000
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 15 29  1  0  0  0  0
M  END
>  <NSC>
123048

>  <CAS_RN>
999-99-9

$$$$
123067
  Marvin  03121014323D          

 38 41  0  0  0  0            999 V2000
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   -5.5010   -5.7085    3.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2642   -7.6454   -3.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1314    1.2171   -0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5059    3.3253    0.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9231    3.3242    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  0  0  0  0
  9 14  2  0  0  0  0
  9 25  1  0  0  0  0
 10 15  1  0  0  0  0
 10 26  1  0  0  0  0
 11 16  2  0  0  0  0
 11 27  1  0  0  0  0
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 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 28  1  0  0  0  0
 14 19  1  0  0  0  0
 14 29  1  0  0  0  0
 15 20  2  0  0  0  0
 15 30  1  0  0  0  0
 16 20  1  0  0  0  0
 16 31  1  0  0  0  0
 17 21  1  0  0  0  0
 17 32  1  0  0  0  0
 18 22  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
>  <NSC>
123067

>  <CAS_RN>
573-34-2

$$$$
123069
  Marvin  03121014323D          

 26 26  0  0  1  0            999 V2000
   -2.1916    0.4538   -1.5930 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5822    1.1281   -2.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8403   -0.9370   -1.5203 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -2.8106    2.3512   -2.5670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3723   -1.0881   -1.0177 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8281   -1.6915   -0.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1230    1.1612   -5.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9675    0.0327   -2.2329 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2106   -0.6732    0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0977    1.6373   -5.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3751    0.4032    0.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8122   -0.8832    0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0020   -0.2629    1.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3109   -1.9338    1.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1187   -1.0545    2.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9307   -2.4944    1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <NSC>
123069

>  <CAS_RN>
92145-95-4

$$$$
123339
  Marvin  03121014323D          

  9  8  0  0  1  0            999 V2000
   -0.6675    1.2001   -0.0104 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1965    0.9070    0.0057 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0533    0.0092   -0.0134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2355    2.1546   -1.4349 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3282    1.9433    1.0995 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6896   -0.0124    1.4284 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9260    2.0724    0.0120 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5797    0.1840   -1.1001 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197   -0.0536    0.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
M  END
>  <NSC>
123339

>  <CAS_RN>
354-71-2

$$$$
123976
  Marvin  03121014323D          

 84 89  0  0  1  0            999 V2000
   10.5453   49.6898   -8.8963 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8315   48.6447   -7.9543 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2117   47.3235   -8.5391 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2690   49.0010   -6.5281 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3627   48.6967   -7.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6320   47.4298   -8.6492 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8367   46.8644   -9.9013 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4272   47.8624   -5.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2212   50.1839   -6.0693 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7345   49.2995   -6.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5924   49.8786   -6.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9839   46.0480   -9.1318 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9713   47.9995   -7.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1727   45.5784  -10.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7073   51.5560   -6.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2155   44.8776   -8.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6210   45.7162  -10.5487 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4235   46.1952   -9.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7262   52.3226   -7.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0471   52.2893   -5.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9255   44.5421  -11.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7575   45.0003  -10.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1092   53.4996   -7.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   53.5141   -5.7888 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3948   44.7869  -11.4827 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9546   54.4357   -7.8802 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2031   45.8993  -12.4024 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437   46.2942  -12.6976 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8094   47.4395  -13.7436 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0874   45.1680  -13.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4541   47.0463  -14.9543 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3277   47.8477  -14.0224 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6808   45.4308  -13.3788 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1858   48.8022  -15.1014 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   46.6039  -14.3856 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0368   44.1062  -13.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6854   50.1283  -14.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0854   46.9875  -14.4112 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0764   49.4799   -9.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4881   46.5457   -7.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9010   48.8510   -8.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7165   47.7614   -7.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4824   48.1389   -9.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7585   47.6600  -10.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8997   46.6609   -9.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0076   48.2085   -4.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4720   47.6015   -5.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9201   46.9339   -5.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4183   50.1049   -4.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6373   50.2223   -7.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3590   49.6398   -5.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9841   50.7415   -7.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3482   49.5963   -6.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9565   48.3328   -7.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8817   47.2314   -6.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4490   44.7191   -9.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5736   45.3976  -11.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2491   44.7768   -7.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6218   45.0231   -7.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9364   43.9088   -8.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9192   46.3031   -8.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1272   52.0849   -8.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7277   52.4869   -4.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1607   51.7659   -4.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3742   44.4351  -12.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6828   45.1730  -10.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8572   44.0821   -9.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9632   43.8866  -11.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3919   46.6899  -11.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3556   48.2964  -13.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3905   46.8930  -14.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9073   48.2757  -13.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2348   45.6907  -12.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7382   46.2694  -15.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5894   46.1806  -14.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 71  1  0  0  0  0
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 28 72  1  0  0  0  0
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 37 83  1  0  0  0  0
 38 84  1  0  0  0  0
M  END
>  <NSC>
123976

>  <CAS_RN>
466-07-9

$$$$
124208
  Marvin  03121014323D          

 56 58  0  0  1  0            999 V2000
   -4.9576   -2.8206    5.8275 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
124208

>  <CAS_RN>
999-99-9

$$$$
124210
  Marvin  03121014323D          

 45 49  0  0  1  0            999 V2000
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M  END
>  <NSC>
124210

>  <CAS_RN>
28446-37-9

$$$$
124663
  Marvin  03121014323D          

 47 49  0  0  1  0            999 V2000
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
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  8 15  2  0  0  0  0
  8 30  1  0  0  0  0
  9 16  1  0  0  0  0
  9 31  1  0  0  0  0
 10 17  2  0  0  0  0
 10 32  1  0  0  0  0
 11 18  1  0  0  0  0
 11 33  1  0  0  0  0
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 12 34  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 35  1  0  0  0  0
 14 22  2  0  0  0  0
 14 36  1  0  0  0  0
 15 22  1  0  0  0  0
 15 37  1  0  0  0  0
 16 23  2  0  0  0  0
 16 38  1  0  0  0  0
 17 23  1  0  0  0  0
 17 39  1  0  0  0  0
 18 24  2  0  0  0  0
 18 40  1  0  0  0  0
 19 24  1  0  0  0  0
 19 41  1  0  0  0  0
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
>  <NSC>
124663

>  <CAS_RN>
2799-07-7

$$$$
124905
  Marvin  03121014323D          

 27 28  0  0  0  0            999 V2000
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    3.3020    1.5244   -0.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6529   -1.5587   -1.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5254   -0.1306    2.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1353   -1.3785    2.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344   -0.3542    3.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 19  1  0  0  0  0
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  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 10 20  1  0  0  0  0
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 16 18  1  0  0  0  0
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 16 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
>  <NSC>
124905

>  <CAS_RN>
91270-24-5

$$$$
125004
  Marvin  03121014323D          

 29 31  0  0  0  0            999 V2000
    1.8101    1.9386    0.2332 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5948    2.2364    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1149    2.7170   -0.0421 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7639    5.3695    2.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
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  8 14  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
>  <NSC>
125004

>  <CAS_RN>
23942-32-7

$$$$
125460
  Marvin  03121014323D          

 26 26  0  0  1  0            999 V2000
   -1.3838    0.1433   -0.0636 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9870    1.5864    0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8652   -0.8577    1.0601 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6291    2.5745   -1.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1320    0.2550   -0.2228 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4853   -2.3640    0.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5119   -0.4190    2.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0986   -2.7411    1.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6522   -1.0596    3.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4789   -0.6727    4.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3694   -3.0820    3.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  6  3  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
>  <NSC>
125460

>  <CAS_RN>
999-99-9

$$$$
126839
  Marvin  03121014323D          

 50 51  0  0  1  0            999 V2000
   -3.0189    3.7033   -0.8420 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -1.3943    5.3814    0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1363    2.0631    0.8292 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8803    0.9145   -1.3993 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2459    6.6611    0.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3735    4.8562   -0.3809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5381    5.7189   -4.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0253    0.6085    1.0936 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.1628    0.4995    0.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2169    6.5219    5.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2 28  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  4 29  1  0  0  0  0
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 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  END
>  <NSC>
126839

>  <CAS_RN>
999-99-9

$$$$
126978
  Marvin  03121014323D          

 53 54  0  0  0  0            999 V2000
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 28 29  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
M  END
>  <NSC>
126978

>  <CAS_RN>
999-99-9

$$$$
127032
  Marvin  03121014323D          

 30 29  0  0  1  0            999 V2000
   -2.6499    0.8929   -2.6163 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5477    0.1275   -3.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 11 28  1  0  0  0  0
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M  END
>  <NSC>
127032

>  <CAS_RN>
999-99-9

$$$$
127034
  Marvin  03121014323D          

 37 38  0  0  0  0            999 V2000
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 17 37  1  0  0  0  0
M  END
>  <NSC>
127034

>  <CAS_RN>
32102-77-5

$$$$
127037
  Marvin  03121014323D          

 21 23  0  0  0  0            999 V2000
    1.1943   -0.0441    0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581   -0.0400   -0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4031    4.4255   -0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6171   -0.8117    0.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  6 16  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <NSC>
127037

>  <CAS_RN>
13152-85-7

$$$$
127043
  Marvin  03121014323D          

 43 44  0  0  0  0            999 V2000
    0.3126    0.4671   -0.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6753    1.1709   -1.8313 S   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9110    2.1880   -1.6937 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2388    1.2182    2.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END
>  <NSC>
127043

>  <CAS_RN>
999-99-9

$$$$
127045
  Marvin  03121014323D          

 40 41  0  0  0  0            999 V2000
    0.3714    0.5065   -0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6065    1.0620   -1.9182 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6613    0.3582    0.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5755   -0.7072    0.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1998    1.8825   -3.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 40  1  0  0  0  0
M  END
>  <NSC>
127045

>  <CAS_RN>
999-99-9

$$$$
127046
  Marvin  03121014323D          

 60 63  0  0  0  0            999 V2000
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   -2.3464   -0.3643   -2.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
127046

>  <CAS_RN>
999-99-9

$$$$
127496
  Marvin  03121014323D          

 42 45  0  0  1  0            999 V2000
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M  END
>  <NSC>
127496

>  <CAS_RN>
489-72-5

$$$$
127907
  Marvin  03121014323D          

 50 51  0  0  1  0            999 V2000
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M  END
>  <NSC>
127907

>  <CAS_RN>
999-99-9

$$$$
128622
  Marvin  03121014323D          

 26 28  0  0  0  0            999 V2000
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    1.7849    2.8623   -1.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0380    5.7740   -1.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659    0.0212    0.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1501    3.7390   -0.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0490    6.9555   -2.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6326    1.1177   -0.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1311    5.9620   -1.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4 20  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
M  CHG  2  12   1  17  -1
M  END
>  <NSC>
128622

>  <CAS_RN>
26690-03-9

$$$$
128749
  Marvin  03121014323D          

 31 34  0  0  0  0            999 V2000
    0.6796   -1.9292    0.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0703   -1.0335   -0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383   -1.5577   -1.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3243    0.3389    0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2415   -0.7223   -2.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1578    0.9289    1.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0484    1.1541   -0.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7714   -0.9462   -3.4351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5037    0.6055   -1.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3605    0.2029   -3.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7651   -2.0333   -4.1643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2050    1.1740   -2.9084 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0157    0.2437   -5.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3463   -2.0498   -5.3394 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9798   -0.9551   -5.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6859    1.3780   -5.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5977   -1.0009   -7.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3097    1.3170   -6.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2629    0.1343   -7.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6874   -1.5413    0.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7749   -2.9484    0.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1705   -1.9757    1.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3752   -2.5310   -1.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2437    0.8312    1.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0928    1.9874    1.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2943    0.4023    2.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2444    2.1361   -0.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7298    2.2471   -5.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5682   -1.8555   -7.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7998    2.1366   -7.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7153    0.1004   -8.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 12  2  0  0  0  0
 11 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
>  <NSC>
128749

>  <CAS_RN>
10173-34-9

$$$$
131888
  Marvin  03121014323D          

 25 26  0  0  0  0            999 V2000
   -3.5545   -1.1534    0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2902    0.2509    0.3266 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2481    1.2144    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0687    0.8405    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6399    2.4491    0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6544    1.1513    0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8248    0.1994    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2816    2.2177   -0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3701    3.6472   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4098    2.3418    0.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3732    0.7986   -0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7710    3.5831    0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5216    0.1708   -0.1179 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5181    0.7601   -0.2807 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6423   -1.0863    0.0344 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7438   -1.6480    1.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4542   -1.3150    1.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6864   -1.6397   -0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1301    0.2616    0.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8255   -0.7857    0.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5786    2.9406   -0.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9013    4.5407   -0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4280    2.3063    0.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3957    1.7894   -0.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3271    4.4382    0.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 19  1  0  0  0  0
  7 11  2  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
>  <NSC>
131888

>  <CAS_RN>
7171-84-8

$$$$
131889
  Marvin  03121014323D          

 23 24  0  0  0  0            999 V2000
   -0.4217   -2.4431   -0.0934 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1764   -3.3229    0.0350 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7824   -2.7913   -0.2916 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7951   -1.1588   -0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0465   -0.6398    0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0098   -0.0250   -0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9702    0.7478    0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2504   -1.2477    0.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3934    0.0284   -0.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7444    1.0852   -0.1287 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.5718    0.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3541   -0.4339    1.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2858    0.9877    1.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3477    1.7435    1.3769 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.3243    2.9122    1.3716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4607    1.2462    1.7408 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3380   -2.2625    0.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0497   -0.4091   -0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7023    1.0638   -0.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5045   -0.5188   -1.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4279    1.9912   -0.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9470    2.5858    0.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2179   -0.8984    1.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  2  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  4   1   1   3  -1  14   1  16  -1
M  END
>  <NSC>
131889

>  <CAS_RN>
3484-05-7

$$$$
132120
  Marvin  03121014323D          

 33 32  0  0  0  0            999 V2000
   -4.0373   -0.6786    1.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6176   -0.5665    0.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0466   -0.5723    0.1215 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4878    0.6492   -0.1727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8989    0.6518   -0.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4511    0.7540   -1.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1506   -1.6421    1.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1914    0.1126    1.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4113   -1.4339   -0.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764   -0.5526    1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9714   -0.5453    0.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6001    0.6026   -1.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1377    1.5352   -0.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2725   -0.0320   -1.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3146    1.7181   -1.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1447    0.2920    0.0694 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.6671    0.0089    0.0783 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8962   -0.7992    0.0928 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5157    1.0474   -1.0054 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2964   -0.7809    1.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079   -0.8064   -1.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8991    1.3715    0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0454   -0.7690    0.2933 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4598    1.2667   -0.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6117   -0.2286    2.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7865   -1.7552    1.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2196   -0.9523    1.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7072   -1.7762   -1.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1300   -0.9846   -1.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4433   -0.2694   -2.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8196    1.2139    0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2078    1.9609    0.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005    1.9605   -0.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
M  END
>  <NSC>
132120

>  <CAS_RN>
999-99-9

$$$$
132982
  Marvin  03121014323D          

 36 36  0  0  0  0            999 V2000
   -3.4099    0.6171    1.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3421   -0.0860    0.6293 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0573    0.3605    0.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5834    0.1268    0.8073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069   -0.7290    0.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0848    1.2173    1.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3935   -1.0619    0.1281 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2286   -0.9761   -0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2844    1.0051    1.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0793   -1.0816   -1.4421 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7300   -1.0287   -4.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3874   -2.1696   -3.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0093   -2.7694   -4.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9190   -4.1503    3.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6791   -4.1816    2.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3127   -4.7828    2.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 22  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  2  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 21  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
>  <NSC>
132982

>  <CAS_RN>
999-99-9

$$$$
133327
  Marvin  03121014323D          

 36 36  0  0  0  0            999 V2000
    1.2825   -1.7703   -0.2548 N   0  3  2  0  0  0  0  0  0  0  0  0
    1.3454   -0.2523   -0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6691   -2.1520    1.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3063   -2.4186   -1.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1335   -2.3238   -0.5770 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6855    0.4965   -0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6198   -2.1408   -2.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2880   -1.8613    0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    2.0239   -0.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0072   -2.7647   -2.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6721   -2.4866    0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0344   -2.7680   -1.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2563   -1.1797   -1.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
M  CHG  1   1   1
M  END
>  <NSC>
133327

>  <CAS_RN>
7209-52-1

$$$$
133409
  Marvin  03121014323D          

 40 39  0  0  0  0            999 V2000
    0.5231    2.1180    4.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5163    2.9092    5.4884 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5803    1.0889    4.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    2.2249    3.5016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4560    3.7205    5.7997 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5290    0.0337    5.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4512    5.0695    5.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6165   -1.0695    5.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740    5.8769    5.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4752    5.6562    6.0765 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7358   -1.9533    6.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2440    6.9770    4.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8348   -3.0327    6.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4311    7.8913    3.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9970    9.0737    2.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
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  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  1  0  0  0  0
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  9 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
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 12 14  1  0  0  0  0
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 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
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 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
>  <NSC>
133409

>  <CAS_RN>
1530-76-3

$$$$
133529
  Marvin  03121014323D          

 55 59  0  0  1  0            999 V2000
    5.7856    1.1717    2.5357 N   0  3  0  0  0  0  0  0  0  0  0  0
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    4.9273    2.0585    2.8467 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5216    0.1758    1.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4387   -0.8734    1.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3024    0.1440    0.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1499   -1.8923    0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0300   -0.8570    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9419   -1.9094   -0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7132   -2.8999   -1.2302 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9040   -2.8980   -2.4552 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2549   -4.0308   -1.0639 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0879   -4.4374   -2.8451 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4386   -2.5924   -2.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4626   -2.3064   -4.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0453   -5.2498   -4.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331   -6.1811   -1.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4181   -2.9447   -0.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2662   -1.5793   -2.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8280   -5.9486   -4.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139   -6.8830   -1.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3471   -2.1632   -1.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3691   -0.0941   -5.5820 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3988   -6.7489   -3.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3360   -0.9055    1.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5935    0.8647    1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5 33  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 37  1  0  0  0  0
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 18 24  1  0  0  0  0
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 23 29  2  0  0  0  0
 23 45  1  0  0  0  0
 24 30  2  0  0  0  0
 24 46  1  0  0  0  0
 25 30  1  0  0  0  0
 25 47  1  0  0  0  0
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 27 31  1  0  0  0  0
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 28 32  2  0  0  0  0
 28 52  1  0  0  0  0
 29 32  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 32 55  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
>  <NSC>
133529

>  <CAS_RN>
999-99-9

$$$$
133530
  Marvin  03121014323D          

 28 30  0  0  0  0            999 V2000
   -1.5554   -1.5873    0.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6633   -1.1949    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9292   -0.9029    2.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5585   -2.1306   -0.8952 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0186   -0.0122   -0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3513   -3.1211   -0.6238 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9433   -0.5283    3.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2766   -0.5489    2.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4311    0.0020   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6813    1.2173   -0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6385    0.5591    4.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0379   -0.7821    2.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7046    1.2270   -0.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5978    0.4588    3.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1520    1.2287   -0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4919    3.3212   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9352    3.3280    0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  2  0  0  0  0
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 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  2  0  0  0  0
 11 22  1  0  0  0  0
 12 16  2  0  0  0  0
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 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
>  <NSC>
133530

>  <CAS_RN>
4874-85-5

$$$$
133533
  Marvin  03121014323D          

 44 47  0  0  1  0            999 V2000
   -1.2322    7.5172   -1.2999 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7646    8.0201   -0.3540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3691    8.2945   -2.2976 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6065    6.2245   -1.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    5.7036   -2.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3251    5.3314   -0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7478    4.3654   -2.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7366    3.9850   -0.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308    3.4730   -1.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7615    2.1423   -1.4766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2907    1.0876   -2.3648 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5884    1.7265   -0.6212 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1872   -0.0535   -1.7812 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7635    1.1926   -3.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1527   -0.5350   -2.8902 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9218    1.3688   -3.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6134   -0.3632   -4.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  4  6  1  0  0  0  0
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  5 24  1  0  0  0  0
  6  8  2  0  0  0  0
  6 25  1  0  0  0  0
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  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 12  1  0  0  0  0
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 14 18  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
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 20 22  1  0  0  0  0
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 20 38  1  0  0  0  0
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 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
>  <NSC>
133533

>  <CAS_RN>
999-99-9

$$$$
134132
  Marvin  03121014323D          

 55 58  0  0  1  0            999 V2000
    3.9891   -2.2522    0.2071 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7896   -1.3268    0.1243 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6560   -2.2289    0.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9812   -3.4764    0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8994   -1.0297    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8473   -0.2284    0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8095   -2.6532    0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5571   -3.5075    0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718   -4.7109    0.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434    0.1627   -0.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2540   -0.2515    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1692    1.2789   -0.1458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6692    0.0728   -0.0917 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7140   -1.5272    0.1038 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2475   -1.8698    1.7533 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3273   -0.1366   -0.4071 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2323   -2.7064   -0.8515 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6979   -1.6980    1.9861 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1610   -0.2394    2.2113 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0480   -2.3775    3.1965 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1068    0.6497    2.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4157   -0.4859    3.0812 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0596   -1.7021    3.8302 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7335   -0.7022    2.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3668    0.6727   -0.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3024   -3.5367    0.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
134132

>  <CAS_RN>
999-99-9

$$$$
134171
  Marvin  03121014323D          

 61 63  0  0  1  0            999 V2000
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M  END
>  <NSC>
134171

>  <CAS_RN>
999-99-9

$$$$
135411
  Marvin  03121014323D          

 40 42  0  0  1  0            999 V2000
   -0.1150   -1.9974    1.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4058   -1.0397    0.2213 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
135411

>  <CAS_RN>
999-99-9

$$$$
139993
  Marvin  03121014323D          

 18 18  0  0  0  0            999 V2000
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  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
>  <NSC>
139993

>  <CAS_RN>
4988-33-4

$$$$
140038
  Marvin  03121014323D          

 28 29  0  0  0  0            999 V2000
    0.2136   -2.3589   -0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5913    0.3321    0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 16  2  0  0  0  0
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 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
>  <NSC>
140038

>  <CAS_RN>
3488-57-1

$$$$
140053
  Marvin  03121014323D          

 40 42  0  0  0  0            999 V2000
   -0.7224   -4.8230   -1.2270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5167   -4.6026   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2123   -3.5278    2.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -5.7885    3.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2601   -7.7244    1.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 18  2  0  0  0  0
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 16 33  1  0  0  0  0
 17 21  2  0  0  0  0
 17 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  2  0  0  0  0
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 21 37  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
>  <NSC>
140053

>  <CAS_RN>
76628-76-7

$$$$
140058
  Marvin  03121014323D          

 37 40  0  0  0  0            999 V2000
    3.6709    1.0319   -4.4427 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    0.4806   -3.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582    0.8091   -2.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8679   -0.4755   -4.0984 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6053    0.0758   -1.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3791    1.6641   -1.6356 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0338   -0.7569   -2.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7110   -1.1008   -5.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2934    0.2132   -0.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0774    1.7955   -0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 36  1  0  0  0  0
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 22 37  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <NSC>
140058

>  <CAS_RN>
999-99-9

$$$$
140340
  Marvin  03121014323D          

 24 24  0  0  0  0            999 V2000
   -1.5253   -2.3137   -0.2366 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0971   -2.8203   -1.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8965   -1.6610   -1.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4402   -3.9619    1.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8671   -4.9692   -1.2164 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2101   -5.1348    0.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2 15  1  0  0  0  0
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  5  7  2  0  0  0  0
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  6 17  1  0  0  0  0
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  7 10  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <NSC>
140340

>  <CAS_RN>
999-99-9

$$$$
140591
  Marvin  03121014323D          

 17 17  0  0  0  0            999 V2000
    2.3114    0.3419   -0.0172 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6553   -1.0480    0.8336 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9173   -0.0673   -1.5167 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381    1.0153    0.6904 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875    1.4637   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0406    1.0375   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4040    2.8473   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4907   -0.5950   -0.1541 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    1.9936    0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4396    3.7940    0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7795    3.3690    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7690    4.2768    0.1835 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4381    3.1823   -0.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0534    1.6893    0.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2108    4.7908    0.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5581    5.2227    0.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6936    3.9870    0.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <NSC>
140591

>  <CAS_RN>
33719-28-7

$$$$
140598
  Marvin  03121014323D          

 37 38  0  0  0  0            999 V2000
    3.7147   -4.1680    0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8638   -3.0017    0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2554   -5.3974   -0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9952   -3.9619    0.4905 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.5706   -2.5774   -0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521   -6.7707   -0.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4701   -2.9455    0.8284 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9150   -4.8000    0.5704 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3467   -1.1888    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4987   -3.2840   -0.6003 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.9122   -7.4058   -0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6279   -7.6640   -0.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2426   -0.5467   -0.1099 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5676   -2.8471   -0.8024 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895   -4.5030   -0.8797 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1310   -8.7797   -0.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8315   -9.0367   -1.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067    0.7306    0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0903   -9.5978   -0.9108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7488    1.7700    0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4481    1.0478   -0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2682    3.0868    0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9298    2.3621   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0731    3.3871    0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6509    4.9694    0.5016 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4066   -2.2382    0.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3421   -5.3209   -0.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0936   -0.6202    0.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7280   -6.9265    0.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6798   -7.3233   -1.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0544   -9.1874   -0.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622   -9.6250   -1.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2489  -10.5941   -1.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7275    1.5858    0.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0905    0.3191   -0.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9003    3.8234    0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9061    2.5646   -0.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2 26  1  0  0  0  0
  3  6  1  0  0  0  0
  3 27  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 28  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 29  1  0  0  0  0
 12 17  2  0  0  0  0
 12 30  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  1  0  0  0  0
 20 34  1  0  0  0  0
 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
M  CHG  4   4   1   8  -1  10   1  15  -1
M  END
>  <NSC>
140598

>  <CAS_RN>
999-99-9

$$$$
140599
  Marvin  03121014323D          

 31 33  0  0  0  0            999 V2000
    5.2993   -1.8867   -2.6492 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3446   -1.8001   -1.9821 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6463   -2.7465   -1.4509 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8556   -0.5465   -1.6806 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.6839   -2.1989   -0.8175 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8454   -4.1311   -1.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7326   -0.9244   -0.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0027   -4.7411   -2.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8871   -5.0147   -0.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9326   -0.0625   -0.3628 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2096   -6.1325   -1.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0886   -6.4090   -0.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8844   -0.3176    0.2248 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2574   -6.9715   -1.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0606    0.5670    0.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5260   -8.6417   -1.3177 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3212    1.9598    0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1407    0.0856    1.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5913    2.8421    1.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0568    0.9678    1.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7838    2.3485    2.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8831    3.4070    2.7449 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5578    0.0050   -2.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7339   -4.1910   -2.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0190   -4.6502   -0.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608   -6.5280   -2.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3831   -7.0098   -0.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1791    2.3446    0.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3607   -0.9142    1.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3781    3.8427    1.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9210    0.5998    2.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  2  0  0  0  0
  9 25  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  2  0  0  0  0
 18 29  1  0  0  0  0
 19 21  2  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  1  0  0  0  0
M  CHG  2   2   1   4  -1
M  END
>  <NSC>
140599

>  <CAS_RN>
999-99-9

$$$$
140903
  Marvin  03121014323D          

 33 34  0  0  1  0            999 V2000
    2.4674   -2.7490    1.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9427   -2.6084    1.3777 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7033   -1.6020    2.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640   -2.4581    0.0714 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1895   -4.2175    1.7751 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7029   -3.8012    0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8351   -1.1737   -0.0914 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1356   -5.4908    1.5678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8007   -4.2136    3.0326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1328    0.0627   -0.1437 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7435   -1.2238   -1.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0329    0.0983   -0.2602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8417    1.2837   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6477    0.0391   -1.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8229    1.3475   -1.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6605   -3.5080    0.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8723   -1.7992    0.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0058   -3.0330    1.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2237   -1.9390    3.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3570   -1.5092    2.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0877   -0.6138    2.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6878   -2.5449   -0.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7710   -3.6981    0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5041   -4.5239   -0.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5037   -1.1504    0.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1184   -1.2830   -2.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3845   -2.1076   -1.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3981    1.3647    0.8148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1762    2.1533   -0.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3990    0.0020   -0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1767    0.0422   -2.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    2.1971   -1.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2492    1.5059   -2.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 25  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  CHG  1  10   1
M  END
>  <NSC>
140903

>  <CAS_RN>
999-99-9

$$$$
141322
  Marvin  03121014323D          

 51 54  0  0  0  0            999 V2000
    2.3398    0.2201   -0.1881 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4916    1.2711   -0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4170   -0.0570   -0.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1268    1.7449    1.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9317    1.8301   -1.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0353   -1.3228   -0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9711    0.8444   -1.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5420    1.0808    2.1568 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2682    2.8527    1.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0632    1.2380   -2.4220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1257    3.0099   -1.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6031   -2.1927    0.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1552   -1.6781   -1.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0725    0.4714   -2.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1274    1.5728    3.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1403    3.2080    2.3144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1993    3.5394    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3816    3.6486   -2.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8046   -3.2838   -0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6642   -0.7902   -2.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4332    0.6413    4.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4132    2.7872    3.4187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9952    4.7090    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2077    4.7811   -2.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3093    0.6256    5.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5067    5.3172   -1.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2656    1.5685    6.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2507   -0.3076    5.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1886    1.5835    7.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8269   -0.2916    6.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8593    0.6559    7.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5851    1.7818   -2.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1593    3.2941   -3.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6075   -0.3655    4.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0201    2.2516    6.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2574   -1.0027    4.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688    2.2709    8.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5876   -0.9677    6.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6439    0.6714    7.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 32  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 33  1  0  0  0  0
  8 15  1  0  0  0  0
  8 34  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 11 18  2  0  0  0  0
 11 17  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 13 35  1  0  0  0  0
 14 20  1  0  0  0  0
 14 36  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  2  0  0  0  0
 17 23  2  0  0  0  0
 18 24  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 25  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 23 26  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  2  0  0  0  0
 24 45  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 46  1  0  0  0  0
 27 29  1  0  0  0  0
 27 47  1  0  0  0  0
 28 30  2  0  0  0  0
 28 48  1  0  0  0  0
 29 31  2  0  0  0  0
 29 49  1  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END
>  <NSC>
141322

>  <CAS_RN>
999-99-9

$$$$
141327
  Marvin  03121014323D          

 39 40  0  0  0  0            999 V2000
    4.5191    0.1867   -0.7288 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6243    0.8866   -0.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3008    0.7013   -0.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9092    0.1845   -0.1510 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5735    2.1182   -0.0892 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668    1.5965   -1.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2549    0.2362   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7730   -1.0599    1.0861 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4258   -0.5594   -1.6601 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0763    1.9295   -2.7776 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879    2.1653   -2.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4975   -0.5959    0.7719 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9150    0.6843   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0214    1.9539   -4.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6337    3.1895   -2.8018 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6759    1.6495   -1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1771    0.1963    0.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3574    2.4619   -4.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6491    2.0738   -1.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4851    0.6434    0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2592    2.6808   -6.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7209    1.5754   -0.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5549    3.2505   -6.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6107   -0.7770   -0.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6869    0.8868    0.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9471    2.0761   -2.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2172    2.6018   -4.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8236    0.9432   -4.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345   -0.4954    1.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6226    3.4107   -4.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1488    1.7354   -4.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8463    2.7512   -2.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655    0.2872    0.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0221    1.7290   -6.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4435    3.3775   -6.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6731    1.8925   -1.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8145    4.2043   -6.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3825    2.5518   -6.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4069    3.4150   -8.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 24  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 26  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 29  1  0  0  0  0
 18 21  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 22  1  0  0  0  0
 19 32  1  0  0  0  0
 20 22  2  0  0  0  0
 20 33  1  0  0  0  0
 21 23  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
>  <NSC>
141327

>  <CAS_RN>
999-99-9

$$$$
141328
  Marvin  03121014323D          

 44 45  0  0  0  0            999 V2000
   -6.0173    1.0568    0.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9150    2.2426    0.8398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7623    0.4016    0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2805    0.4970    0.2221 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.5044   -0.8504    0.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7184    1.0240   -0.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4484   -0.7215   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4080    1.1783    0.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2430   -1.4618    0.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4587    0.4124   -0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7200   -1.2986   -0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7002    0.6501    0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1861   -0.8448    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8719   -0.6112   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9751   -1.4257   -0.0756 N   0  3  0  0  0  0  0  0  0  0  0  0
  -11.2240   -1.2176   -0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0642   -0.9054   -0.5914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7306   -2.5928    0.3677 O   0  5  0  0  0  0  0  0  0  0  0  0
  -11.6766   -1.4356   -1.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0970   -2.0608   -1.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5455   -2.4840   -3.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9405   -3.1675   -3.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3859   -3.6807   -4.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2309   -1.3257    1.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8671    1.9322   -0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6507   -1.2507   -0.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3439    2.0941    1.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1051   -2.3694    1.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7370    0.9010   -1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7982   -2.2199   -1.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5054    1.1854    0.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2144   -2.1788    0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9748   -0.5918    0.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9725   -2.1034   -2.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6782   -0.4772   -2.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8166   -1.3406   -1.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1096   -2.9444   -1.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5808   -1.6023   -3.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8093   -3.1794   -3.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9205   -4.0163   -2.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6888   -2.4579   -2.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3643   -4.1590   -4.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4620   -2.8521   -5.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6726   -4.4137   -4.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  2  0  0  0  0
  6 25  1  0  0  0  0
  7 11  1  0  0  0  0
  7 26  1  0  0  0  0
  8 12  2  0  0  0  0
  8 27  1  0  0  0  0
  9 13  2  0  0  0  0
  9 28  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  2  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  CHG  3   4   1  15   1  18  -1
M  END
>  <NSC>
141328

>  <CAS_RN>
999-99-9

$$$$
141329
  Marvin  03121014323D          

 27 28  0  0  0  0            999 V2000
    1.6706   -1.4214    0.3849 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4052   -1.6932    1.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9955   -1.5604    1.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5860   -0.0997   -0.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5451    0.0577   -1.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447    1.0688    0.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4645    1.3776   -2.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5791   -1.0229   -2.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4661    2.3505   -0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4261    2.5060   -1.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4218    1.5817   -3.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5363   -0.8114   -4.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4577    0.4878   -4.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6976   -2.2587   -0.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4901   -1.6130    0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4383   -2.7037    1.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3156   -0.9902    2.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8484   -1.3906    0.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0849   -2.5680    1.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0508   -0.8499    2.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5718    1.0005    1.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6358   -1.9923   -2.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380    3.1718    0.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687    3.4510   -1.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3644    2.5241   -4.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -1.6097   -4.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4270    0.6318   -5.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
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  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
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  4  5  2  0  0  0  0
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  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 21  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
>  <NSC>
141329

>  <CAS_RN>
6158-45-8

$$$$
141340
  Marvin  03121014323D          

 32 34  0  0  1  0            999 V2000
   -0.7872    1.1525    1.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0081    0.2071    0.5961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2891    2.1278    1.7879 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4335    0.1390    0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    1.1439    2.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4832    1.3692    1.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4838    1.8521    2.8218 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9302    1.2311    0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0982    1.7037    4.3177 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2214    1.6454    5.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0888    0.6570    5.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9343    1.2491    6.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7644    0.0360    1.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7642   -0.7334    0.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8704    1.0364    0.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    0.7572   -1.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4350    1.3374    2.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9192    1.3517    0.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4579    2.5811    4.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8504    2.0181    6.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1746    0.2969    5.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6293    1.3608    7.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
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  7 24  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 14  1  0  0  0  0
 10 25  1  0  0  0  0
 11 15  1  0  0  0  0
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 12 26  1  0  0  0  0
 13 18  1  0  0  0  0
 13 15  1  0  0  0  0
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 14 28  1  0  0  0  0
 15 19  1  0  0  0  0
 15 29  1  0  0  0  0
 16 20  2  0  0  0  0
 16 30  1  0  0  0  0
 17 20  1  0  0  0  0
 17 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
>  <NSC>
141340

>  <CAS_RN>
26847-76-7

$$$$
141341
  Marvin  03121014323D          

 24 25  0  0  0  0            999 V2000
    2.5753    6.7404   -2.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7889    6.5775   -3.0447 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3544    7.8485   -2.1263 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706    5.8077   -1.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9378    4.5951   -1.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    6.0554    0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1075    3.6561    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6740    5.0934    1.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9712    3.9355    1.0285 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064    2.4311    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0070    2.4178    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1041    1.2020    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7092    1.2003   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4005   -0.0160    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073   -0.0193    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8538   -1.4823   -0.0027 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3005    8.4683   -2.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2968    4.3809   -1.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0708    6.9239    0.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3076    5.2585    1.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5327    3.2946   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1268    1.1851    0.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7311    1.2117   -0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9197   -0.8966    0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  2  0  0  0  0
  6 19  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
141341

>  <CAS_RN>
999-99-9

$$$$
141344
  Marvin  03121014323D          

 37 39  0  0  0  0            999 V2000
    0.5755    5.5163   -2.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208    6.5653   -2.3579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584    5.2583   -3.0988 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735    4.6440   -1.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6407    4.8920    0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0344    3.4304   -1.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6930    3.9179    1.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4628    6.0396    0.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1335    2.5021    0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9591    2.7820    1.0591 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4959    4.0976    2.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2456    6.2404    1.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6161    1.3037    0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2728    5.2579    2.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9845    7.3846    1.5597 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0301    0.0496    0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272    1.3421   -0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    8.4571    2.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7199   -1.1417    0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7748    0.1503   -0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1305   -1.1054   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9190   -2.3574   -0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4721    5.8589   -3.8643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834    3.1967   -1.8089 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5175    6.7679   -0.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5147    3.3922    3.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8585    5.3875    3.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0509   -0.0054    0.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5221    2.2383   -0.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8401    9.3489    2.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3298    8.6896    1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103    8.2204    3.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2278   -2.0389    0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7954    0.2056   -0.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163   -3.1563    0.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9008   -2.2177    0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0544   -2.6725   -1.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 24  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 25  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 11 14  2  0  0  0  0
 11 26  1  0  0  0  0
 12 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 27  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 28  1  0  0  0  0
 17 20  2  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
>  <NSC>
141344

>  <CAS_RN>
18193-09-4

$$$$
141348
  Marvin  03121014323D          

 16 16  0  0  0  0            999 V2000
   -0.3901    2.3779   -3.8797 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1070    3.1228   -4.4192 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6104    2.0533   -4.5975 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5837    1.9087   -2.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6738    2.3013   -1.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3402    0.9690   -2.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1774    3.6023   -2.3352 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966    1.7919   -0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1969    0.4412   -0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8755    0.8582    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813   -0.4581   -0.3167 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1388    0.6511   -2.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5646    2.0989    0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9928    0.4819    0.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8269   -0.7455   -0.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9700   -0.8199    0.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
>  <NSC>
141348

>  <CAS_RN>
999-99-9

$$$$
141354
  Marvin  03121014323D          

 32 33  0  0  0  0            999 V2000
   -1.5368   -3.8520   -0.2696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9563   -3.3224    0.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1909   -5.0425   -0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0751   -2.1911    0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5584   -5.0956    0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4717   -6.2443   -0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292   -1.0397    0.1316 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1612   -2.3546    0.7358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4821   -3.6764    0.3616 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1640   -6.3392    0.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0858   -7.4810    0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    0.1002   -0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4384   -7.5579    0.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7434    0.9075   -1.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2974    0.5158    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0030   -8.7407    0.7938 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.1670    2.0540   -1.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8746    1.6632   -0.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1107   -8.8435    1.1518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3749   -9.8446    0.7306 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1466    2.4262   -1.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7359   -2.9678    1.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3722   -4.0891    1.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4917   -6.2161   -0.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5948   -1.0460    0.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1503   -6.3543    0.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5263   -8.3303   -0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7032    0.6558   -1.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8427   -0.0000    0.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7049    2.6154   -2.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8235    1.9425   -0.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5673    3.2542   -1.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 24  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
 10 13  2  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 28  1  0  0  0  0
 15 18  2  0  0  0  0
 15 29  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 30  1  0  0  0  0
 18 21  1  0  0  0  0
 18 31  1  0  0  0  0
 21 32  1  0  0  0  0
M  CHG  2  16   1  20  -1
M  END
>  <NSC>
141354

>  <CAS_RN>
31191-22-7

$$$$
141520
  Marvin  03121014323D          

 18 18  0  0  1  0            999 V2000
   -0.3819    0.9712    0.9498 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1183    0.5455   -0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1303    0.0663    1.9304 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0306    2.4270    1.3093 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2604   -0.8003   -0.7350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3950    2.8603    2.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4568    2.5618    1.4111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5857    2.9922    3.0184 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142    3.1313    3.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8359    2.9531    2.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7054    3.4730    4.6451 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0221    3.1384    3.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4738    0.9015    0.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3146    1.1939   -1.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    0.6171   -0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1960   -0.8187    1.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3526    3.1302    0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1355   -1.0061   -1.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <NSC>
141520

>  <CAS_RN>
999-99-9

$$$$
141524
  Marvin  03121014323D          

 13 13  0  0  0  0            999 V2000
   -1.9570    1.2285   -3.4219 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2086    0.5595   -1.3405 Pt  0  0  1  0  0  0  0  0  0  0  0  0
   -4.2399    0.9883   -0.6340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8229   -1.3511   -0.4789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4294    1.1376   -0.3248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5915   -1.2441    0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1053   -0.0203    0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0881   -2.2901    0.5443 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2598    0.0365    0.6130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6826    0.7695   -3.9776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1576    2.2313   -3.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2890    0.6443    0.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8683    0.4000   -1.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <NSC>
141524

>  <CAS_RN>
41349-15-9

$$$$
141584
  Marvin  03121014323D          

 31 33  0  0  0  0            999 V2000
   -0.4959    0.1968    1.1750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3593    1.2530    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3663   -0.8365    1.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4421    2.2504    0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6213    1.4067   -0.4442 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7619   -0.8204    1.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1911   -1.9872    2.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6132   -1.9178    1.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6156   -3.0794    2.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0224   -1.9349    1.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084   -3.0496    2.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8030   -3.0626    1.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111   -0.8833    0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8007   -4.1482    2.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1820   -4.1537    2.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1997   -3.1005    1.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1001   -0.9212    0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8446   -2.0297    0.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3418    0.1645    1.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2702    2.9895   -0.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3933    1.7559    0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5064    2.7716    1.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1579    0.0270    0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964   -2.0401    2.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1755   -3.8988    2.8148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2265   -0.0628    0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783   -4.9579    3.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7272   -4.9683    2.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7633   -3.9054    1.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5684   -0.1408   -0.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8562   -2.0547    0.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  2  0  0  0  0
  7 24  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  END
>  <NSC>
141584

>  <CAS_RN>
4120-78-9

$$$$
141586
  Marvin  03121014323D          

 27 29  0  0  0  0            999 V2000
    0.2874   -2.2315   -0.0970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904   -1.2454   -0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8769   -1.4890   -0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0070    0.0213   -0.3764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7861   -0.3919   -0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3667   -2.8082    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    0.1942   -0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8484    1.1129   -0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2694    0.9277   -0.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1728   -0.6858    0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7373   -3.0582    0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3520    2.4458   -0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1049    2.0795   -0.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6414   -1.9938    0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1995    3.5569   -0.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5812    3.3716   -0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321   -3.6085    0.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8671    0.7836    0.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0169   -0.7301   -0.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    0.7053   -1.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8836    0.0396    0.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0766   -4.0111    0.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6475    2.6485   -0.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1186    2.0210   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6428   -2.1719    0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8089    4.4967   -0.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2039    4.1805   -0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 12  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
>  <NSC>
141586

>  <CAS_RN>
4594-73-4

$$$$
141588
  Marvin  03121014323D          

 32 34  0  0  0  0            999 V2000
   -0.9356    2.0879    0.7578 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3215    1.5703    0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1346    3.4171    0.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2881    0.0417    0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621    3.9222    2.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7617    4.2800    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.4321   -0.1915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7129    5.3407    2.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0867    3.0445    3.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8328    5.6234    0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2885    6.2134    1.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1633    5.8106    3.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5239    3.5427    4.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4134    6.4058   -0.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2623    7.6336    1.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5575    4.9276    4.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9937    2.4789    5.6822 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3995    7.8067   -0.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8186    8.4185    0.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1423    8.7478   -2.1669 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6319    1.4638    1.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0642    1.8056    1.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6229    2.0430   -0.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0601   -0.4559    1.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3847   -0.2066   -0.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5080   -1.4028   -0.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    2.0317    3.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
>  <NSC>
141588

>  <CAS_RN>
38052-90-3

$$$$
141590
  Marvin  03121014323D          

 29 32  0  0  0  0            999 V2000
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 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
>  <NSC>
141590

>  <CAS_RN>
36811-70-8

$$$$
141918
  Marvin  03121014323D          

 21 20  0  0  0  0            999 V2000
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 10 11  1  0  0  0  0
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 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
>  <NSC>
141918

>  <CAS_RN>
999-99-9

$$$$
142429
  Marvin  03121014323D          

 50 53  0  0  0  0            999 V2000
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 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END
>  <NSC>
142429

>  <CAS_RN>
999-99-9

$$$$
142847
  Marvin  03121014323D          

 70 74  0  0  1  0            999 V2000
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    0.5091    0.3358    1.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1123    1.1441   -0.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5896   -2.7130    1.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
142847

>  <CAS_RN>
42214-24-4

$$$$
142857
  Marvin  03121014323D          

 44 43  0  0  0  0            999 V2000
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M  END
>  <NSC>
142857

>  <CAS_RN>
3482-54-0

$$$$
142973
  Marvin  03121014323D          

 24 24  0  0  1  0            999 V2000
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M  END
>  <NSC>
142973

>  <CAS_RN>
31257-08-6

$$$$
143169
  Marvin  03121014323D          

 33 34  0  0  0  0            999 V2000
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 19 33  1  0  0  0  0
M  END
>  <NSC>
143169

>  <CAS_RN>
999-99-9

$$$$
143171
  Marvin  03121014323D          

 44 46  0  0  0  0            999 V2000
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 25 44  1  0  0  0  0
M  END
>  <NSC>
143171

>  <CAS_RN>
999-99-9

$$$$
143418
  Marvin  03121014323D          

116119  0  0  1  0            999 V2000
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 47102  1  0  0  0  0
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 51105  1  0  0  0  0
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 56115  1  0  0  0  0
 58116  1  0  0  0  0
M  END
>  <NSC>
143418

>  <CAS_RN>
3206-15-3

$$$$
143932
  Marvin  03121014323D          

 17 18  0  0  1  0            999 V2000
   -3.4099   -1.6802    0.5907 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1670   -0.5543    0.0331 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
143932

>  <CAS_RN>
18317-90-3

$$$$
143960
  Marvin  03121014323D          

 23 24  0  0  0  0            999 V2000
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M  END
>  <NSC>
143960

>  <CAS_RN>
999-99-9

$$$$
143964
  Marvin  03121014323D          

 19 20  0  0  1  0            999 V2000
    1.7445    1.4273   -0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  2 10  1  0  0  0  0
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  8 17  1  0  0  0  0
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  9 19  1  0  0  0  0
M  END
>  <NSC>
143964

>  <CAS_RN>
6142-70-7

$$$$
143969
  Marvin  03121014323D          

 64 66  0  0  0  0            999 V2000
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   -1.2844   23.7751    2.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8615   23.3826    1.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9071   21.8582    3.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2251   25.3345   -0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7231   27.4980    0.2394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5301   21.6325    1.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7093   20.2634    3.2390 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0141   27.9500   -0.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3420   19.7573    5.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2380   27.4743   -1.3088 N   0  0  2  0  0  0  0  0  0  0  0  0
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    5.1663   28.6031   -1.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0327   21.2621    6.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1202   25.6806   -1.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
143969

>  <CAS_RN>
27591-69-1

$$$$
144646
  Marvin  03121014323D          

 44 46  0  0  0  0            999 V2000
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M  END
>  <NSC>
144646

>  <CAS_RN>
999-99-9

$$$$
145043
  Marvin  03121014323D          

 60 62  0  0  1  0            999 V2000
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M  CHG  1  17   1
M  END
>  <NSC>
145043

>  <CAS_RN>
999-99-9

$$$$
145998
  Marvin  03121014323D          

 30 31  0  0  1  0            999 V2000
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M  END
>  <NSC>
145998

>  <CAS_RN>
999-99-9

$$$$
146187
  Marvin  03121014323D          

 58 62  0  0  1  0            999 V2000
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M  END
>  <NSC>
146187

>  <CAS_RN>
25859-65-8

$$$$
146188
  Marvin  03121014323D          

 59 61  0  0  1  0            999 V2000
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M  END
>  <NSC>
146188

>  <CAS_RN>
32111-52-7

$$$$
146382
  Marvin  03121014323D          

 70 73  0  0  1  0            999 V2000
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M  END
>  <NSC>
146382

>  <CAS_RN>
53033-76-4

$$$$
146410
  Marvin  03121014323D          

 36 35  0  0  0  0            999 V2000
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M  END
>  <NSC>
146410

>  <CAS_RN>
37759-80-1

$$$$
146411
  Marvin  03121014323D          

 21 21  0  0  0  0            999 V2000
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M  END
>  <NSC>
146411

>  <CAS_RN>
729-80-6

$$$$
147755
  Marvin  03121014323D          

 72 75  0  0  1  0            999 V2000
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M  END
>  <NSC>
147755

>  <CAS_RN>
602-41-5

$$$$
147849
  Marvin  03121014323D          

 56 58  0  0  1  0            999 V2000
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M  END
>  <NSC>
147849

>  <CAS_RN>
63990-74-9

$$$$
147850
  Marvin  03121014323D          

 52 54  0  0  1  0            999 V2000
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  1  2  1  0  0  0  0
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 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  END
>  <NSC>
147850

>  <CAS_RN>
63990-85-2

$$$$
148192
  Marvin  03121014323D          

 29 30  0  0  0  0            999 V2000
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 18 28  1  0  0  0  0
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M  END
>  <NSC>
148192

>  <CAS_RN>
22454-54-2

$$$$
148262
  Marvin  03121014323D          

 29 29  0  0  1  0            999 V2000
   -0.2659   -3.2535   -1.6178 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
M  END
>  <NSC>
148262

>  <CAS_RN>
6124-84-1

$$$$
149621
  Marvin  03121014323D          

 26 26  0  0  0  0            999 V2000
    0.9848   -4.1152    0.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6632   -4.0960    2.5624 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8734   -2.4727    1.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1129   -0.3984    0.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
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  8 11  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
>  <NSC>
149621

>  <CAS_RN>
5552-83-0

$$$$
149627
  Marvin  03121014323D          

 33 34  0  0  1  0            999 V2000
   -2.6146    0.0558    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
149627

>  <CAS_RN>
999-99-9

$$$$
149888
  Marvin  03121014323D          

 32 35  0  0  1  0            999 V2000
   -0.5362    1.3783   -0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 32  1  0  0  0  0
M  END
>  <NSC>
149888

>  <CAS_RN>
40496-46-6

$$$$
150181
  Marvin  03121014323D          

 29 31  0  0  0  0            999 V2000
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 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
>  <NSC>
150181

>  <CAS_RN>
92794-23-5

$$$$
150183
  Marvin  03121014323D          

 24 24  0  0  0  0            999 V2000
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  1  3  2  0  0  0  0
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  3  6  1  0  0  0  0
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 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
>  <NSC>
150183

>  <CAS_RN>
91818-30-3

$$$$
150437
  Marvin  03121014323D          

 16 16  0  0  0  0            999 V2000
    0.4162    0.1780   -0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  4  5  1  0  0  0  0
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  7 14  1  0  0  0  0
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  8 10  1  0  0  0  0
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 10 11  3  0  0  0  0
M  END
>  <NSC>
150437

>  <CAS_RN>
88511-75-5

$$$$
150510
  Marvin  03121014323D          

 24 24  0  0  0  0            999 V2000
    1.8539    0.6003   -1.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1214   -0.1058   -0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3532    0.5147   -3.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1265   -1.0513   -3.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7610   -0.2366    2.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350    1.4710   -2.7653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0519   -0.0560   -4.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119   -1.5800   -2.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7 21  1  0  0  0  0
  9 12  2  0  0  0  0
  9 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <NSC>
150510

>  <CAS_RN>
28289-95-4

$$$$
150511
  Marvin  03121014323D          

 29 29  0  0  1  0            999 V2000
   -0.7429   -1.1866   -0.2431 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0469   -1.3875    1.1455 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2986    0.2030   -0.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5115   -1.6959    3.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0665   -1.9161    1.7883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0433    2.5793   -0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3175   -1.9443    4.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0414   -1.8927    5.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7356   -2.3462    6.6848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1980   -1.3406    6.2530 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8142   -0.9047    5.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  1 17  1  0  0  0  0
  2  5  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
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  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  2  0  0  0  0
  7 23  1  0  0  0  0
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  8 24  1  0  0  0  0
 10 13  2  0  0  0  0
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 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
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 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
>  <NSC>
150511

>  <CAS_RN>
999-99-9

$$$$
150517
  Marvin  03121014323D          

 70 74  0  0  0  0            999 V2000
   -2.5211   -7.6646   -0.1335 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -8.7694    0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8975   -6.4606   -0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9176   -9.7622    1.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8640   -6.2322   -1.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3742  -10.9154    1.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3259   -9.6109    0.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1650  -10.0642    1.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1797   -5.0047   -1.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0023  -11.0330    1.8903 N   0  3  0  0  0  0  0  0  0  0  0  0
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   -5.2940  -10.5645    1.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.5228  -11.2076    1.9041 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3718   -1.5646    0.0625 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4446   -2.8291   -0.5206 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1381   -0.2905    0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6298    0.7164    0.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3385    0.0992   -0.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2153    2.0622    0.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8311    4.6896   -0.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1264    8.9253   -2.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4203   -7.7096   -0.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0226   -8.2559    0.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5863   -4.8788   -1.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6103  -11.8575    3.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2792  -12.4712    2.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3205  -14.1672    2.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2976   -1.6239    0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9306   -0.5724   -1.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7769    2.7580    1.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6082    1.6974   -1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7255    5.3149   -1.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8708    6.9647   -3.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0253    6.0951   -1.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5142    7.1946   -4.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9737    8.7301   -2.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3090    9.3474   -2.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 41  1  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 42  1  0  0  0  0
  6 11  1  0  0  0  0
  6 43  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 46  1  0  0  0  0
 11 16  2  0  0  0  0
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 12 48  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 49  1  0  0  0  0
 15 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 52  1  0  0  0  0
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 20 24  1  0  0  0  0
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 21 53  1  0  0  0  0
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 27 57  1  0  0  0  0
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 29 59  1  0  0  0  0
 30 31  1  0  0  0  0
 30 60  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 61  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
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 34 62  1  0  0  0  0
 35 37  2  0  0  0  0
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 36 38  2  0  0  0  0
 36 64  1  0  0  0  0
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 39 40  1  0  0  0  0
 39 66  1  0  0  0  0
 39 67  1  0  0  0  0
 40 68  1  0  0  0  0
 40 69  1  0  0  0  0
 40 70  1  0  0  0  0
M  CHG  4  13   1  19   1  23  -1  38   1
M  END
>  <NSC>
150517

>  <CAS_RN>
50308-91-3

$$$$
150518
  Marvin  03121014323D          

 18 18  0  0  0  0            999 V2000
   -5.2723    0.1975   -0.2912 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9716   -1.5362    0.7677 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6391    1.4026    0.5568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0019    0.5050   -0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4883    1.2327   -1.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9312    0.0268    0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4796    1.9187   -2.8698 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.8752    1.4345   -1.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3119    0.2380    0.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8003    0.9503   -0.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2533    1.1762   -1.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6152   -0.4777    1.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2198    1.9455   -2.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
150518

>  <CAS_RN>
55311-94-9

$$$$
150889
  Marvin  03121014323D          

 52 53  0  0  0  0            999 V2000
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 22 52  1  0  0  0  0
M  END
>  <NSC>
150889

>  <CAS_RN>
999-99-9

$$$$
150892
  Marvin  03121014323D          

 67 69  0  0  0  0            999 V2000
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M  END
>  <NSC>
150892

>  <CAS_RN>
52221-78-0

$$$$
150933
  Marvin  03121014323D          

 53 55  0  0  1  0            999 V2000
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    0.1228   -5.8631   -2.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  7  2  0  0  0  0
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 13 33  1  0  0  0  0
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 15 35  1  0  0  0  0
 16 21  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 22  1  0  0  0  0
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 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 24  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
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 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
M  CHG  1  11   1
M  END
>  <NSC>
150933

>  <CAS_RN>
999-99-9

$$$$
151002
  Marvin  03121014323D          

 26 27  0  0  0  0            999 V2000
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    1.3261    0.7043   -4.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7070   -1.4560   -5.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3601   -2.2768    0.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4 15  1  0  0  0  0
  5  8  2  0  0  0  0
  5 16  1  0  0  0  0
  6  9  2  0  0  0  0
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  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
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  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 19  1  0  0  0  0
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 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
>  <NSC>
151002

>  <CAS_RN>
32664-13-4

$$$$
151257
  Marvin  03121014323D          

 28 29  0  0  0  0            999 V2000
    1.7631   -1.3753    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
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 10 14  2  0  0  0  0
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 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
>  <NSC>
151257

>  <CAS_RN>
2155-96-6

$$$$
151752
  Marvin  03121014323D          

 18 18  0  0  0  0            999 V2000
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   -0.7872    0.2241   -0.0375 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3714   -0.3702    0.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4661    0.3525    0.7596 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344   -0.1069    3.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0299    0.3843    1.9895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4066   -1.4821    1.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1782   -1.4982   -0.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6282   -1.1362    3.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
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  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
>  <NSC>
151752

>  <CAS_RN>
19788-36-4

$$$$
151955
  Marvin  03121014323D          

 27 26  0  0  0  0            999 V2000
   -2.5276    0.4294   -1.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9909   -0.4265   -0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6993    1.3941   -6.5518 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9131   -0.0021   -2.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6178    0.0229    1.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9017   -0.7444    2.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9521    0.4182   -5.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1281   -0.9192    4.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.7401    3.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6184   -0.3482    3.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0516    0.7003   -7.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
M  END
>  <NSC>
151955

>  <CAS_RN>
999-99-9

$$$$
151956
  Marvin  03121014323D          

  8  7  0  0  0  0            999 V2000
   -0.1899   -1.0589    0.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0119    0.2056   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7774   -1.7552    0.8343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4389   -1.5529    0.6062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9560    0.8957   -0.5057 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2534    0.7191   -0.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5743   -2.4334    1.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3710    1.6079   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <NSC>
151956

>  <CAS_RN>
999-99-9

$$$$
151957
  Marvin  03121014323D          

 41 42  0  0  0  0            999 V2000
   -5.8518    0.0000    0.0000 Sb  0  5  0  0  0  0  0  0  0  0  0  0
   -5.8518    0.0000    2.0408 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8518    0.0000   -2.0408 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8518   -2.0408    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8518    2.0408    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8926    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8111    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3050    0.1016   -0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    5.4804   -0.6690    1.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4804   -0.6690   -1.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8782    1.4711   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7268   -1.1656    1.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3287   -0.9151    2.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3287   -0.9151   -2.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7268   -1.1656   -1.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2674    1.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9745    2.5595   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8166   -1.8887    2.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197   -1.6383    3.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197   -1.6383   -3.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8166   -1.8887   -2.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7379    3.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4461    3.8843   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6640   -2.1257    3.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6640   -2.1257   -3.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8285    4.1397   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5826   -1.0116    1.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076   -0.5725    1.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076   -0.5725   -1.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5826   -1.0116   -1.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9545    0.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9610    2.4051   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7211   -2.2427    3.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5801   -1.8103    3.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5801   -1.8103   -3.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7211   -2.2427   -3.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7426    3.2534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7833    4.6636   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7290   -2.6506    4.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7290   -2.6506   -4.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1698    5.1018   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 27  1  0  0  0  0
 13 19  2  0  0  0  0
 13 28  1  0  0  0  0
 14 20  1  0  0  0  0
 14 29  1  0  0  0  0
 15 21  2  0  0  0  0
 15 30  1  0  0  0  0
 16 22  1  0  0  0  0
 16 31  1  0  0  0  0
 17 23  2  0  0  0  0
 17 32  1  0  0  0  0
 18 24  2  0  0  0  0
 18 33  1  0  0  0  0
 19 24  1  0  0  0  0
 19 34  1  0  0  0  0
 20 25  2  0  0  0  0
 20 35  1  0  0  0  0
 21 25  1  0  0  0  0
 21 36  1  0  0  0  0
 22 26  2  0  0  0  0
 22 37  1  0  0  0  0
 23 26  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 26 41  1  0  0  0  0
M  CHG  2   1  -1   8   1
M  END
>  <NSC>
151957

>  <CAS_RN>
437-18-3

$$$$
151958
  Marvin  03121014323D          

 46 46  0  0  1  0            999 V2000
   -6.1977   -0.7039   -3.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3082    0.1367   -2.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583   -0.4318   -1.8785 O   0  3  0  0  0  0  0  0  0  0  0  0
   -5.3711    1.6224   -2.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1498   -0.0002   -0.0058 Ni  0  6  2  0  0  0  0  0  0  0  0  0
   -5.8490    2.2456   -1.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6545    0.4129    1.3228 O   0  3  0  0  0  0  0  0  0  0  0  0
   -6.0547   -1.5468    0.9728 O   0  3  0  0  0  0  0  0  0  0  0  0
   -6.3830    1.5645   -0.4523 O   0  3  0  0  0  0  0  0  0  0  0  0
   -5.6900    3.6955   -1.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0739   -0.1449    2.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1681   -2.2399    1.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4591    0.7066    3.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1438   -1.6294    2.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1588   -3.6913    1.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7601   -0.8289   -4.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1823   -0.2446   -3.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3287   -1.6895   -2.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0209    1.9582   -3.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3656    1.9911   -2.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7783    4.2489   -2.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4566    4.0612   -0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7094    3.8946   -0.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6055    0.8206    4.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2886    0.2625    4.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7717    1.6959    3.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3429   -1.9580    3.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625   -2.0149    2.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8072   -4.2468    2.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1627   -4.0420    1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4995   -3.9042    0.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6076    0.2426   -0.0539 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5934   -0.8129    0.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8641    0.1252   -1.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1305    1.5955    0.2745 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3690   -0.6946    1.8994 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5586    0.0888    0.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348   -0.6893   -0.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9685   -1.8188    0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5964    0.8708   -1.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2559   -0.8641   -1.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9414    0.2866   -2.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8212    2.2579   -0.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2628    1.7490   -0.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297   -1.4476    2.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2608   -0.8890    2.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 32 37  1  0  0  0  0
 33 36  1  0  0  0  0
 33 38  1  0  0  0  0
 33 39  1  0  0  0  0
 34 40  1  0  0  0  0
 34 41  1  0  0  0  0
 34 42  1  0  0  0  0
 35 43  1  0  0  0  0
 35 44  1  0  0  0  0
 36 45  1  0  0  0  0
 36 46  1  0  0  0  0
M  CHG  5   3   1   5  -2   7   1   8   1   9   1
M  END
>  <NSC>
151958

>  <CAS_RN>
999-99-9

$$$$
151959
  Marvin  03121014323D          

 16 24  0  0  0  0            999 V2000
   -3.0244   -0.0000    0.0000 Fe  0  0  2  0  0  0  0  0  0  0  0  0
   -3.7825   -1.0722    1.8570 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7825    2.1443    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7825   -1.0722   -1.8570 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0082   -0.0296    0.0154 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    3.9600   -1.5681    0.8101 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.7466   -0.4395    1.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0632    0.8247    1.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8002    0.7154    0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0610   -0.3294    0.1699 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.2827    1.1960   -1.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -0.0026   -1.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6422   -0.7811   -1.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4249    1.0156   -0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8466   -0.6012    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 16  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 15  2  0  0  0  0
  7 16  1  0  0  0  0
 10 16  2  0  0  0  0
M  CHG  3   6   3   7  -1  11  -1
M  END
>  <NSC>
151959

>  <CAS_RN>
999-99-9

$$$$
151960
  Marvin  03121014323D          

 20 30  0  0  0  0            999 V2000
    0.2546    2.7847    1.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0129    2.9486    3.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360    1.8356    3.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3786    1.0679    2.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5176    1.6411    1.0909 C   0  5  2  0  0  0  0  0  0  0  0  0
    2.1222    2.7314    1.4856 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    3.0500    3.0857   -0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8491    2.3491    0.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0492    3.1154    1.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3438    4.2229    1.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3496    4.3010    0.3060 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.4927    1.4321   -0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586    0.6465   -0.8276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4893    1.9845   -1.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0744    3.2559   -1.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843    3.8280   -1.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3288    3.1437   -3.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7882    1.8721   -3.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9024    1.2828   -2.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4877    0.0206   -2.6999 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  3  6  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  7 11  1  0  0  0  0
 10 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  3   5  -1   6   2  11  -1
M  END
>  <NSC>
151960

>  <CAS_RN>
1295-36-9

$$$$
151995
  Marvin  03121014323D          

 62 63  0  0  1  0            999 V2000
   -7.8404   -0.5844   -0.6487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2352   -0.2965   -1.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9046    0.1615    0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9955    0.1502   -1.9845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1614   -0.5285   -3.2053 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6949   -0.3695    1.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3039    1.4323    0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8259   -0.3188   -1.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9157    0.3595    2.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5227    2.1606    1.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6414    0.3109   -1.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7142   -1.4112   -0.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3314    1.6292    2.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3771   -0.1568   -1.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4475   -1.8771   -0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6044    2.5076    4.3157 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2744   -1.2544   -0.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.8194   -0.1419 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.3814   -1.3906   -0.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9001    0.8449   -2.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1324   -1.2914    1.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7192    1.8490   -0.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5074   -0.0403    3.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0955    3.0829    1.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6895    1.1112   -2.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5460   -1.8898   -0.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5352    0.3057   -1.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3848   -2.6767    0.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6474   -1.1253   -2.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1166   -1.1383   -2.3180 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9270   -0.3798   -1.2083 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3905   -0.4340   -1.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2674   -1.1129    0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4306    1.1073   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9142   -0.3805    1.4977 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0084    1.8738    0.1470 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3853   -0.4468    1.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6696   -1.1156    2.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4171    1.1047    1.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6331    3.2060    0.1607 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3960   -0.6490   -3.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3118   -2.1650   -2.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4599   -1.5939   -3.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3727   -1.7443   -1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9921   -1.4370   -1.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8144    0.2609   -0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1926   -0.1646   -2.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8184   -2.1108    0.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3475   -1.2759    0.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5236    1.1251   -1.1798 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0715    1.6571   -2.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9304    2.0381    0.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8008    0.2610    1.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2069   -0.1996    2.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9881   -1.4469    1.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3410   -2.1557    2.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7511   -1.1174    2.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4871   -0.6234    3.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5109    1.1183    1.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0451    1.6541    2.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2773    3.6978    0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2926    3.7125   -0.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  2  0  0  0  0
  7 22  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 11 14  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  2  0  0  0  0
 12 26  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 27  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 17 18  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 41  1  0  0  0  0
 29 42  1  0  0  0  0
 30 43  1  0  0  0  0
 30 44  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 45  1  0  0  0  0
 32 46  1  0  0  0  0
 32 47  1  0  0  0  0
 33 35  1  0  0  0  0
 33 48  1  0  0  0  0
 33 49  1  0  0  0  0
 34 36  1  0  0  0  0
 34 50  1  0  0  0  0
 34 51  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 36 39  1  0  0  0  0
 36 52  1  0  0  0  0
 37 53  1  0  0  0  0
 37 54  1  0  0  0  0
 37 55  1  0  0  0  0
 38 56  1  0  0  0  0
 38 57  1  0  0  0  0
 38 58  1  0  0  0  0
 39 59  1  0  0  0  0
 39 60  1  0  0  0  0
 40 61  1  0  0  0  0
 40 62  1  0  0  0  0
M  END
>  <NSC>
151995

>  <CAS_RN>
999-99-9

$$$$
152098
  Marvin  03121014323D          

 20 20  0  0  0  0            999 V2000
   -1.1365   -0.0160   -0.0152 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0580   -0.2274    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7944    1.1445   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910   -0.4296    0.0187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2177    1.1084   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1396    2.4041   -0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9942   -0.1631    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9369    2.3232   -0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8636    3.6152   -0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2727    3.5583   -0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1572    4.9171   -0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1174    2.4424   -0.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4726   -0.9237    0.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9672   -0.0109    0.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1581   -0.5433   -0.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9606    2.3203   -0.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8282    4.4163   -0.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9680    5.1646   -1.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2019    4.8789    0.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7486    5.7170    0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <NSC>
152098

>  <CAS_RN>
40397-98-6

$$$$
152422
  Marvin  03121014323D          

 51 56  0  0  0  0            999 V2000
    1.5692   -1.3217    1.7686 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9327   -0.9837    0.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2356   -1.1960    0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2008   -0.3767   -0.3790 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3674   -0.7049   -1.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2754   -1.7683    0.8683 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0821   -0.1303   -1.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1612   -0.0314   -0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6110   -0.7906   -1.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -1.8624    0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7474    0.6790   -1.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0473   -0.3722    0.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6770   -1.3937   -1.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7784   -0.3026   -3.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6717   -2.3977    0.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1086    1.0365   -1.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4090   -0.0167    0.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0636   -1.6732   -1.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6728    0.7613   -3.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0537   -0.8711   -4.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7442   -2.9078    1.8390 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6527   -2.2785   -0.2635 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9420    0.6924   -0.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8485    1.2357   -4.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100   -0.3740   -5.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0041   -2.6544   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7435    1.1563   -0.4284 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1124    0.6743   -5.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8717   -2.5436   -1.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6043   -3.1478    1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2296   -2.9106   -1.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9601   -3.5206    1.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7751   -3.4066   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5668   -3.8993    0.0241 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7162   -0.6258   -2.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2073    0.9412   -1.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922    0.9553   -2.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7304   -0.8955    1.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4900    1.5427   -2.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0151   -0.2815    1.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5771   -0.7467   -1.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0685   -2.3659   -2.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1988    1.2019   -2.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4111   -1.6529   -4.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5103    1.9924   -4.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6689   -0.7778   -6.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2330    1.0276   -6.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5328   -2.1890   -2.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -3.2440    1.8706 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8187   -2.8109   -2.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3557   -3.8699    1.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5  7  1  0  0  0  0
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 31 50  1  0  0  0  0
 32 33  1  0  0  0  0
 32 51  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <NSC>
152422

>  <CAS_RN>
83794-05-2

$$$$
152425
  Marvin  03121014323D          

 49 52  0  0  1  0            999 V2000
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 26 27  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END
>  <NSC>
152425

>  <CAS_RN>
999-99-9

$$$$
153340
  Marvin  03121014323D          

 48 47  0  0  0  0            999 V2000
    0.0136    2.2642   -1.1764 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5342    3.5837   -0.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
153340

>  <CAS_RN>
37489-08-0

$$$$
153343
  Marvin  03121014323D          

 52 54  0  0  0  0            999 V2000
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 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
M  END
>  <NSC>
153343

>  <CAS_RN>
55886-46-9

$$$$
153592
  Marvin  03121014323D          

 49 51  0  0  1  0            999 V2000
   -5.9727   -0.0757   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3938   -0.0867   -0.1502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6123    0.9530   -0.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7615   -0.8703    1.5773 N   0  3  0  0  0  0  0  0  0  0  0  0
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    6.9329   -0.4951    2.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 27  1  0  0  0  0
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 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  CHG  1  20   1
M  END
>  <NSC>
153592

>  <CAS_RN>
999-99-9

$$$$
154304
  Marvin  03121014323D          

 25 26  0  0  1  0            999 V2000
   -3.8666   -0.0135    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6700   -0.2475   -0.8246 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1100   -0.0175   -0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9360    3.3034    0.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0646    1.2020    0.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 22  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
>  <NSC>
154304

>  <CAS_RN>
999-99-9

$$$$
154305
  Marvin  03121014323D          

 22 22  0  0  0  0            999 V2000
    0.1147    0.2556    0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3544   -0.9148   -0.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0044    2.6924    0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0093    1.3559    0.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0330   -3.3351   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7752    2.9744   -0.0936 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7212    3.8447    0.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7252    2.5119    1.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5863    4.5946    1.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 18  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
>  <NSC>
154305

>  <CAS_RN>
999-99-9

$$$$
154649
  Marvin  03121014323D          

 84 89  0  0  0  0            999 V2000
   -6.1016    0.4604   -0.3585 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0113    0.9590   -1.1460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8927    0.7981    1.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1185   -1.0420   -0.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2779    1.2088   -0.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6204    0.9189    1.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0563    0.9334    1.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9488   -1.5497   -1.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3087   -2.0070    0.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2865    2.6310   -0.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3991    0.5722   -1.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0296    0.7363    0.9889 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    1.2221    3.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
154649

>  <CAS_RN>
999-99-9

$$$$
154772
  Marvin  03121014323D          

 22 23  0  0  1  0            999 V2000
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M  END
>  <NSC>
154772

>  <CAS_RN>
999-99-9

$$$$
155172
  Marvin  03121014323D          

 32 33  0  0  0  0            999 V2000
   -1.2221    1.5094   -0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
155172

>  <CAS_RN>
43050-28-8

$$$$
155214
  Marvin  03121014323D          

 20 19  0  0  0  0            999 V2000
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    5.9417   -3.1742    2.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8687   -0.9259   -0.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375    1.1827    0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714   -0.2605   -2.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7423    1.8628   -0.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1842    1.7350   -3.1317 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.9150    2.2539   -4.0665 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  3  0  0  0  0
 17 18  1  0  0  0  0
M  CHG  1  19   1
M  END
>  <NSC>
155214

>  <CAS_RN>
733-51-7

$$$$
155497
  Marvin  03121014323D          

 42 44  0  0  0  0            999 V2000
   -5.1157    0.4086   -0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9887   -0.2271   -0.2814 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7415    1.8743    0.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.2149   -3.5563   -1.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  6  2  0  0  0  0
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  9 27  1  0  0  0  0
 10 16  1  0  0  0  0
 10 28  1  0  0  0  0
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 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
>  <NSC>
155497

>  <CAS_RN>
13404-92-7

$$$$
155500
  Marvin  03121014323D          

 25 26  0  0  0  0            999 V2000
   -0.7493    1.1767   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1003    0.0511   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1887    0.8571   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0400    2.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3494   -0.6586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6548   -0.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2900    1.7729   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    2.5408   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6367    3.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6504    1.4044   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1332    3.7377   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4705    4.9655   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1941    2.7601   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9991    5.8402   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  2  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
>  <NSC>
155500

>  <CAS_RN>
7699-76-5

$$$$
156507
  Marvin  03121014323D          

 52 54  0  0  0  0            999 V2000
    0.3397    0.5128    2.2015 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0139    1.3890    3.2655 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9948   -0.1946    1.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7322    2.8602    1.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3981    0.9136   -0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7997   -1.6261    2.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3673   -1.7485    1.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2 29  1  0  0  0  0
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 10 19  1  0  0  0  0
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 11 21  2  0  0  0  0
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 13 32  1  0  0  0  0
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 16 25  1  0  0  0  0
 17 26  2  0  0  0  0
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 18 35  1  0  0  0  0
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 21 28  1  0  0  0  0
 21 37  1  0  0  0  0
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 22 40  1  0  0  0  0
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 25 45  1  0  0  0  0
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 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END
>  <NSC>
156507

>  <CAS_RN>
999-99-9

$$$$
156510
  Marvin  03121014323D          

 27 29  0  0  0  0            999 V2000
    1.4207   -2.4526    0.4777 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023   -1.7417    1.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
156510

>  <CAS_RN>
84682-32-6

$$$$
156620
  Marvin  03121014323D          

 34 33  0  0  0  0            999 V2000
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M  END
>  <NSC>
156620

>  <CAS_RN>
999-99-9

$$$$
156763
  Marvin  03121014323D          

 72 76  0  0  0  0            999 V2000
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M  END
>  <NSC>
156763

>  <CAS_RN>
999-99-9

$$$$
156914
  Marvin  03121014323D          

 67 71  0  0  1  0            999 V2000
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 35 66  1  0  0  0  0
 35 67  1  0  0  0  0
M  END
>  <NSC>
156914

>  <CAS_RN>
999-99-9

$$$$
157692
  Marvin  03121014323D          

 30 31  0  0  0  0            999 V2000
   -3.0402   -3.2794   -0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 30  1  0  0  0  0
M  CHG  2  13   1  18  -1
M  END
>  <NSC>
157692

>  <CAS_RN>
17064-94-7

$$$$
157744
  Marvin  03121014323D          

 43 46  0  0  1  0            999 V2000
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 42 43  1  0  0  0  0
M  END
>  <NSC>
157744

>  <CAS_RN>
999-99-9

$$$$
157773
  Marvin  03121014323D          

 36 37  0  0  0  0            999 V2000
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M  END
>  <NSC>
157773

>  <CAS_RN>
999-99-9

$$$$
157964
  Marvin  03121014323D          

 36 37  0  0  0  0            999 V2000
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M  END
>  <NSC>
157964

>  <CAS_RN>
999-99-9

$$$$
158030
  Marvin  03121014323D          

 71 71  0  0  0  0            999 V2000
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 25 26  1  0  0  0  0
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 31 69  1  0  0  0  0
 31 70  1  0  0  0  0
 31 71  1  0  0  0  0
M  END
>  <NSC>
158030

>  <CAS_RN>
999-99-9

$$$$
158246
  Marvin  03121014323D          

 24 25  0  0  0  0            999 V2000
   -1.9002   -2.0130   -4.0144 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <NSC>
158246

>  <CAS_RN>
999-99-9

$$$$
158483
  Marvin  03121014323D          

 29 31  0  0  1  0            999 V2000
   -4.0031   -2.3836    0.7577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7976   -2.3432    0.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 21  1  0  0  0  0
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 19 29  1  0  0  0  0
M  END
>  <NSC>
158483

>  <CAS_RN>
999-99-9

$$$$
158484
  Marvin  03121014323D          

 52 55  0  0  1  0            999 V2000
   -0.4128   -5.4864   -3.6328 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2367   -6.1082   -2.5881 C   0  0  1  0  0  0  0  0  0  0  0  0
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 32 51  1  0  0  0  0
 33 52  1  0  0  0  0
M  END
>  <NSC>
158484

>  <CAS_RN>
999-99-9

$$$$
158485
  Marvin  03121014323D          

 22 23  0  0  1  0            999 V2000
   -4.2474   -0.7727    1.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1964    1.9200    3.7458 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <NSC>
158485

>  <CAS_RN>
27963-97-9

$$$$
158825
  Marvin  03121014323D          

 34 35  0  0  0  0            999 V2000
    1.0150    1.9689   -0.7872 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2519    0.6627   -0.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1987    2.6714    0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5560   -0.2889   -0.2727 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5014    0.2932   -2.0058 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1564    3.9688   -0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2904    2.2252    1.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8549   -1.6897   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0193    4.7806    0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1661    3.0324    2.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236   -2.4255    0.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    4.3071    1.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5004   -3.0531    1.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4099   -2.5347    0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3342   -3.7871    2.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2464   -3.2637    1.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7166   -3.9100    2.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5752   -4.7215    3.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4805    2.5215   -1.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2257   -0.0091    0.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2049    4.3328   -1.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0139    1.3207    1.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -2.1016   -1.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049   -1.8271   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2736    5.7120    0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5365    2.6948    2.9582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1809    4.8890    2.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4975   -2.9838    2.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8195   -2.0889   -0.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0754   -4.2342    3.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2444   -3.3290    1.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4068   -5.7816    3.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6363   -4.5041    3.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3318   -4.5195    4.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
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  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
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  7 22  1  0  0  0  0
  8 11  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  2  0  0  0  0
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 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
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 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
>  <NSC>
158825

>  <CAS_RN>
35305-48-7

$$$$
159026
  Marvin  03121014323D          

 21 20  0  0  0  0            999 V2000
    0.4166    0.2464    0.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5081   -0.7683    0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823    0.0354    0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333    1.6715    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9049   -0.5722    0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0691   -2.1734    0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6485    0.5531    1.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4798    0.5391    0.4865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7850   -1.5961    0.5849 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4689    0.0914    2.3986 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    1.5400    1.0847 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247    0.5341   -0.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1825   -1.0046   -0.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8746    2.3631    0.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4427    1.8957    1.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6461    1.9096   -0.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8701   -2.9147    0.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4583   -2.3070   -0.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5948   -2.4398    0.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7431   -1.4158    0.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0729    1.8807    1.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
>  <NSC>
159026

>  <CAS_RN>
999-99-9

$$$$
159330
  Marvin  03121014323D          

 32 33  0  0  1  0            999 V2000
    0.6898    1.0829    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5078    0.8633    0.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4967    0.8624   -1.2126 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631    1.5950    0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7704    0.1839    0.2451 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1863    1.6498   -0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0075    2.1057    1.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5369   -1.2487   -0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0142    0.3239    1.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3591    2.2454    0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3431    1.1379   -1.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1634    2.6581    2.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5628   -1.6626   -1.2486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3127   -2.1433    0.9246 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328    2.7378    1.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5707    2.3509   -0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5484    1.2452   -2.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6617    1.8576   -1.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8135    1.8525    1.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2055    0.2784    1.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138    0.7163   -0.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1877    2.0994    2.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8895   -0.1244    0.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2314    1.3791    1.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8509   -0.1627    2.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5985    0.6583   -2.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1499    3.0079    3.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2036   -3.0938    0.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1629    3.1564    2.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4003    2.7840   -0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6136    0.8714   -3.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5373    1.9380   -2.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 22  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 11 26  1  0  0  0  0
 12 15  1  0  0  0  0
 12 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
>  <NSC>
159330

>  <CAS_RN>
75381-40-7

$$$$
159972
  Marvin  03121014323D          

 22 23  0  0  0  0            999 V2000
   -1.8625    1.0542    0.4524 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153    1.0948    0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7748    2.0079    0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.1461    0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2457    2.2855    0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9166    1.8872    0.8489 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6145    3.1190   -0.4279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4821   -1.2789    0.2313 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5551   -0.1951   -0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6357    2.2354   -0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7425    2.9411    0.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9337    3.6604   -0.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2907    0.9956   -0.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2022    0.2071    0.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1939    3.2019    0.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0390   -1.0954   -0.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1722    3.1024   -0.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8797    3.5631    1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7097    2.5968    0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9178    4.7401   -0.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3422    3.4436   -1.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3022    0.9604   -0.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 15  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
>  <NSC>
159972

>  <CAS_RN>
999-99-9

$$$$
159974
  Marvin  03121014323D          

 25 26  0  0  0  0            999 V2000
   -2.8251    3.5718    2.2182 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6265    4.5325    2.7941 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7251    3.4685    3.0335 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4388    4.0774    1.0009 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4622    2.2303    2.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7485    1.1410    1.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8105    2.0269    2.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4308    1.3085    1.0824 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4042   -0.1059    1.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4488    0.7924    2.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7236    0.6515    0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7478   -0.2729    1.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5496    0.7386    0.1679 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2360   -0.1200   -0.7957 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1172    0.0018   -0.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1203   -0.4256   -1.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3504    2.7776    2.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9489    2.0069    1.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9059   -0.9157    0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4212    0.6674    2.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2166   -1.1706    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6441   -0.8574   -0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8013    0.6069   -1.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0946   -1.4931   -1.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2004    0.1463   -2.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 17  1  0  0  0  0
  8 11  1  0  0  0  0
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M  END
>  <NSC>
159974

>  <CAS_RN>
33588-19-1

$$$$
160107
  Marvin  03121014323D          

 32 32  0  0  0  0            999 V2000
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M  END
>  <NSC>
160107

>  <CAS_RN>
999-99-9

$$$$
160117
  Marvin  03121014323D          

 40 40  0  0  1  0            999 V2000
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 16 40  1  0  0  0  0
M  END
>  <NSC>
160117

>  <CAS_RN>
999-99-9

$$$$
160120
  Marvin  03121014323D          

 61 63  0  0  0  0            999 V2000
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 25 61  1  0  0  0  0
M  END
>  <NSC>
160120

>  <CAS_RN>
999-99-9

$$$$
160121
  Marvin  03121014323D          

 54 56  0  0  0  0            999 V2000
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 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
M  END
>  <NSC>
160121

>  <CAS_RN>
999-99-9

$$$$
160125
  Marvin  03121014323D          

 50 51  0  0  0  0            999 V2000
   -1.0752   -4.9721   -0.0493 C   0  0  1  0  0  0  0  0  0  0  0  0
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 32 50  1  0  0  0  0
M  END
>  <NSC>
160125

>  <CAS_RN>
999-99-9

$$$$
160126
  Marvin  03121014323D          

 35 35  0  0  0  0            999 V2000
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  8 29  1  0  0  0  0
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 10 11  1  0  0  0  0
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 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END
>  <NSC>
160126

>  <CAS_RN>
999-99-9

$$$$
160130
  Marvin  03121014323D          

 36 36  0  0  0  0            999 V2000
   -1.6008   -3.2329   -3.4732 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5096   -3.0636   -2.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7951   -2.9906   -0.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7273   -3.1512   -5.9228 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2395   -2.0174   -4.8286 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2410   -5.3924    2.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0010   -2.8938    2.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2711   -4.1328    3.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
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  5 31  1  0  0  0  0
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 13 15  1  0  0  0  0
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 17 33  1  0  0  0  0
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 18 35  1  0  0  0  0
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 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
>  <NSC>
160130

>  <CAS_RN>
999-99-9

$$$$
160139
  Marvin  03121014323D          

 38 40  0  0  0  0            999 V2000
   -1.0917   -0.1827    0.0771 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1161    0.7992   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8925   -1.3677    0.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2855   -0.0619   -0.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    0.7066    0.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3245    1.8348   -0.7073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2707    0.8423   -0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5562   -0.8710   -1.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5236    0.9267   -0.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7805   -0.7694   -2.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7849    0.1315   -1.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5071    2.2294   -2.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  3 19  1  0  0  0  0
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  4  7  2  0  0  0  0
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  5 22  1  0  0  0  0
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  9 11  2  0  0  0  0
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 10 13  1  0  0  0  0
 10 11  1  0  0  0  0
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 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END
>  <NSC>
160139

>  <CAS_RN>
999-99-9

$$$$
160143
  Marvin  03121014323D          

 26 26  0  0  0  0            999 V2000
   -0.5463    0.4002    0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7788    1.0412    0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0448    0.5475    0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9224    0.2947   -0.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3605   -0.8907    0.3015 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1774    1.4689    0.7238 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10 18  1  0  0  0  0
 10 19  2  0  0  0  0
 11 19  1  0  0  0  0
 11 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 26  1  0  0  0  0
M  CHG  2  18   1  21  -1
M  END
>  <NSC>
160143

>  <CAS_RN>
35443-86-8

$$$$
160159
  Marvin  03121014323D          

 35 35  0  0  0  0            999 V2000
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  6 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 30  1  0  0  0  0
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 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END
>  <NSC>
160159

>  <CAS_RN>
999-99-9

$$$$
160165
  Marvin  03121014323D          

 35 34  0  0  1  0            999 V2000
   -3.3334   -0.7612    1.4461 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9267    0.6100    1.4070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7803   -0.6355    1.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7582   -1.5396    2.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4015    0.7044    1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.0105   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2585   -2.8169    2.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8676    2.1599    1.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0589    0.0668   -0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8323   -3.8819    2.8612 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2039    0.1111   -0.1915 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7694    3.8426   -1.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.9522    3.1629    0.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
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  7 10  3  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
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  9 12  3  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
M  END
>  <NSC>
160165

>  <CAS_RN>
999-99-9

$$$$
160204
  Marvin  03121014323D          

 29 29  0  0  0  0            999 V2000
    7.5067    5.7775   -5.0110 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4145    4.3407   -4.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9055    5.9756   -5.7090 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2169    6.9281   -3.9746 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5202    5.8773   -6.0465 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0898    3.8283   -3.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9483    5.9273   -4.8132 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    7.1764   -6.3751 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1541    5.0148   -6.6625 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9746    6.8313   -3.3982 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2455    8.1716   -4.5613 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1277    6.9444   -2.9455 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9348    2.6406   -3.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3514   -0.9756   -0.9720 N   0  3  0  0  0  0  0  0  0  0  0  0
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    6.2622   -1.8569   -0.8564 O   0  5  0  0  0  0  0  0  0  0  0  0
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    3.9183    3.0033   -2.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5791   -0.1367   -2.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  3  7  1  0  0  0  0
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  4 10  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 28  1  0  0  0  0
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 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <NSC>
160204

>  <CAS_RN>
34844-17-2

$$$$
160456
  Marvin  03121014323D          

 38 38  0  0  0  0            999 V2000
    0.3532    0.8195   -0.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229    0.1774    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4403   -0.1182   -0.4523 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9770   -0.1614    0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3673   -1.0472   -1.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8382   -0.8639    1.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5630    0.1158   -1.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621   -1.1464   -2.2138 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4357   -1.9322   -1.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 18  1  0  0  0  0
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  6 21  1  0  0  0  0
  7 12  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
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 10 13  2  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  END
>  <NSC>
160456

>  <CAS_RN>
999-99-9

$$$$
160492
  Marvin  03121014323D          

 35 35  0  0  1  0            999 V2000
    1.0039   -0.7157   -0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5735    0.5544   -0.7495 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3805   -1.0464    0.9644 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1193   -1.5319   -0.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8706    1.0437   -0.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5892    1.6950   -0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9800   -1.1917   -1.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217   -2.7240    0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0393    0.0863   -0.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1195   -1.9592   -1.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5581   -3.4967   -0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4099    0.6046   -0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5779   -0.3895   -0.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9395    0.1305    0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0878   -0.0147   -1.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8585   -0.9026   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3349    0.7906    0.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2543   -3.6506   -1.3093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3549   -1.3335    0.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6706   -0.5872   -1.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7176   -0.6126   -0.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2131    1.0599   -0.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8931    0.3102    1.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  4  7  2  0  0  0  0
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  5  9  1  0  0  0  0
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  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  8 11  2  0  0  0  0
  8 23  1  0  0  0  0
  9 12  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 13  2  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
M  END
>  <NSC>
160492

>  <CAS_RN>
39576-10-8

$$$$
160496
  Marvin  03121014323D          

 43 42  0  0  1  0            999 V2000
    0.2162   -1.4186   -0.5409 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3673   -1.1188    0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1531   -2.8776    4.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
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 10 29  1  0  0  0  0
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 11 32  1  0  0  0  0
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 13 35  1  0  0  0  0
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 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
M  END
>  <NSC>
160496

>  <CAS_RN>
39575-88-7

$$$$
160498
  Marvin  03121014323D          

 26 25  0  0  0  0            999 V2000
   -0.2061    1.1415    3.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2865    2.5973    3.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5247    0.8905    4.7642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6183    2.9017    1.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7286    1.1616    5.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1156    4.3567    1.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0421    0.9960    6.5622 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4474    4.6572   -0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1198    1.2421    6.9435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2211    0.5873    7.4440 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.9444    6.1045   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4874    3.2933    3.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1831    2.7632    3.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 12  1  0  0  0  0
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  3  5  2  0  0  0  0
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  4  6  1  0  0  0  0
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  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  CHG  2   7   1  10  -1
M  END
>  <NSC>
160498

>  <CAS_RN>
4550-05-4

$$$$
160530
  Marvin  03121014323D          

 19 20  0  0  0  0            999 V2000
    1.0932   -0.0461   -0.5581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0396   -0.0438   -0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8368    0.1292    1.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5173   -0.9814    2.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
>  <NSC>
160530

>  <CAS_RN>
4385-35-7

$$$$
160870
  Marvin  03121014323D          

 52 54  0  0  0  0            999 V2000
    0.1725    2.1988    1.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3057    1.1489    1.1017 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2335    3.2784    0.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1141    2.3950    3.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486   -0.2400    1.0789 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2221    3.5718    0.0386 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7352    4.0734    0.9111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5959    1.4116    4.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0216    3.7183    3.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2066   -0.7004   -0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6978   -0.8595    1.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4756    2.9068   -0.1833 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5468    0.0798    3.9099 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4242    4.0827    5.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0058    3.1223    5.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.8796   -1.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    3.0940   -0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1503   -2.3000    3.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8492   -0.8079   -0.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5353   -0.2451    1.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2328   -2.8673   -0.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6194   -2.0398   -1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2696   -2.9833    1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7740   -2.5276    0.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    4.1302   -1.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4969    2.4075   -2.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3672    3.3826    6.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7399    1.8580   -1.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0260    3.5754   -2.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3184    2.1671    0.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6643    3.8789    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8222   -2.6868    3.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1206   -2.4195    3.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2778   -2.8759    4.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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M  END
>  <NSC>
160870

>  <CAS_RN>
33306-17-1

$$$$
160929
  Marvin  03121014323D          

 31 32  0  0  0  0            999 V2000
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M  END
>  <NSC>
160929

>  <CAS_RN>
20213-41-6

$$$$
161286
  Marvin  03121014323D          

 45 48  0  0  0  0            999 V2000
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M  END
>  <NSC>
161286

>  <CAS_RN>
999-99-9

$$$$
161288
  Marvin  03121014323D          

 53 56  0  0  0  0            999 V2000
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 33 34  1  0  0  0  0
M  END
>  <NSC>
161288

>  <CAS_RN>
999-99-9

$$$$
162157
  Marvin  03121014323D          

 32 32  0  0  1  0            999 V2000
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M  END
>  <NSC>
162157

>  <CAS_RN>
34848-27-6

$$$$
162158
  Marvin  03121014323D          

 25 24  0  0  0  0            999 V2000
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M  END
>  <NSC>
162158

>  <CAS_RN>
999-99-9

$$$$
162397
  Marvin  03121014323D          

 35 34  0  0  0  0            999 V2000
    0.2298   -2.4002    0.1370 C   0  0  2  0  0  0  0  0  0  0  0  0
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 21 35  1  0  0  0  0
M  END
>  <NSC>
162397

>  <CAS_RN>
999-99-9

$$$$
163130
  Marvin  03121014323D          

 29 29  0  0  0  0            999 V2000
   -0.3270    0.6074    0.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
163130

>  <CAS_RN>
74298-65-0

$$$$
163143
  Marvin  03121014323D          

 18 19  0  0  0  0            999 V2000
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   -2.9005    3.0328    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4740   -2.7350   -1.9836 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1783   -0.0329    0.0128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5428    3.4294    0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7478   -1.8225    0.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2267    1.3741   -0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4677    2.7454    0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6376    3.7417    0.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3032    4.4236    0.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 15  1  0  0  0  0
  7 11  3  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <NSC>
163143

>  <CAS_RN>
42382-92-3

$$$$
163144
  Marvin  03121014323D          

 25 26  0  0  0  0            999 V2000
    0.5976    4.8167    0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3404    3.7684    0.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3940    8.3066    0.7932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6493    7.1852    1.3802 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5038    4.5099    0.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4615    7.4262    0.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0256    5.8109    0.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9580    2.2026   -0.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1607    2.3541    1.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2411   -0.1908    0.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2203   -1.4036   -0.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  3  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 18  1  0  0  0  0
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  8 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
>  <NSC>
163144

>  <CAS_RN>
999-99-9

$$$$
163921
  Marvin  03121014323D          

 36 35  0  0  1  0            999 V2000
    4.1732    1.0727    0.0411 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0971    0.1744    0.9897 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7052    0.4999    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6593    0.3454    0.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
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  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
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  7 28  1  0  0  0  0
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  8 11  1  0  0  0  0
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 10 30  1  0  0  0  0
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 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
M  END
>  <NSC>
163921

>  <CAS_RN>
64-55-1

$$$$
163929
  Marvin  03121014323D          

 27 28  0  0  0  0            999 V2000
    6.3136   -0.2193    0.3624 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2753   -0.6503    1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5457   -1.8192    3.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2057   -1.6044    2.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5347   -0.7106    1.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2252    0.4540   -0.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9437   -2.6837    4.6389 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4947    0.2339   -0.3941 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5402   -0.4406    0.7815 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2482   -0.0400    1.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4 21  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
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  7 11  1  0  0  0  0
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  8 23  1  0  0  0  0
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 10 12  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 27  1  0  0  0  0
M  END
>  <NSC>
163929

>  <CAS_RN>
20349-39-7

$$$$
164213
  Marvin  03121014323D          

 34 35  0  0  0  0            999 V2000
    0.0205    0.6021    1.3239 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5162    1.6455    0.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9152   -0.3534    0.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5320    1.9073   -0.7177 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0844    2.5066    1.3304 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7824   -1.6963    1.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0028   -0.0039    0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2501    1.0820   -1.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3972   -2.0348    2.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7566   -2.6688    1.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9212   -0.9687   -0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5961   -0.2890   -1.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3878    1.6303   -2.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379   -4.0734    1.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7963   -2.2903    0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2194   -1.1174   -2.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7342    0.8142   -3.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4398   -0.5608   -3.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4495   -3.0773    2.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850   -0.7096   -0.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1210   -0.6844   -0.9921 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7047   -1.1487   -4.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 20  1  0  0  0  0
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  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
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  4 21  1  0  0  0  0
  6  9  1  0  0  0  0
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  7 22  1  0  0  0  0
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 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
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 11 26  1  0  0  0  0
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 15 32  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 19  1  0  0  0  0
 17 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
>  <NSC>
164213

>  <CAS_RN>
999-99-9

$$$$
164442
  Marvin  03121014323D          

 39 39  0  0  0  0            999 V2000
   -3.7294    6.7273    0.4633 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0707    7.8279    0.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2354    5.4793    0.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6938    8.9870    1.2634 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8361    7.8502    1.1407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8742    5.1602   -0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1769    4.4278    0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0944    9.2655    1.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4587    3.8263   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7642    3.0913    0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4513    9.9915    2.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3917    2.7647   -0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7672   10.8086    2.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9517    1.4150   -0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6542   11.5748    1.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5882   10.1495    2.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3484   10.7681    4.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3370   12.1630    4.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0414   12.1140    3.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3349   -0.6608    0.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3079   -0.7558   -0.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0009   -0.9653    0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345    0.5509   -0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8088    0.5729    0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  2  0  0  0  0
  7 23  1  0  0  0  0
  8 11  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 12  2  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
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 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
M  END
>  <NSC>
164442

>  <CAS_RN>
999-99-9

$$$$
164448
  Marvin  03121014323D          

 35 36  0  0  0  0            999 V2000
   -1.7451    1.3699    7.2204 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0015    0.2390    7.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6832    1.9072    6.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7612   -0.5121    5.9548 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4598   -0.1790    8.1142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7468    3.3178    6.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6360    1.0847    5.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9093   -0.2000    4.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7635    4.2124    6.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7619    3.8677    5.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6418    1.6468    4.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2252   -1.2526    3.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6861    1.0925    4.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6994    3.0390    4.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8236    1.3368    2.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1482    0.2798    1.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3307   -0.0262   -0.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6132    1.8470    8.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4045   -1.3982    6.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6141    0.0701    5.8706 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6734    2.2821    2.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.0915   -1.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4642   -1.0783   -0.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1356    0.5561   -0.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 20  1  0  0  0  0
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  4 21  1  0  0  0  0
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 10 14  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
>  <NSC>
164448

>  <CAS_RN>
999-99-9

$$$$
164471
  Marvin  03121014323D          

 48 50  0  0  0  0            999 V2000
    2.3624    1.5904    4.9931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7574    2.2313    3.9425 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7255    0.3954    4.8574 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456    2.1999    6.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4826    1.6857    2.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7533    3.2922    6.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5178    1.6749    7.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2435    2.0016    2.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3599    0.8107    2.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990    3.8337    8.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6873    2.1981    8.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1475    1.3982    0.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9675    0.1994    0.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0651    4.8786    8.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8879    3.2682    8.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004    0.4699    0.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3812    5.7324    7.7069 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051    4.9703    9.7731 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3131   -0.1431   -0.8925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4975    6.7056    8.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4062   -1.3694   -0.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2960    7.5439    9.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6778    6.8569    7.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2928    8.4491    9.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618    7.7852    7.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4860    8.5660    8.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4609    9.4404    9.2800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4068    8.8334   10.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4400    3.1365    4.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3891    1.7964    9.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0564    1.6260    0.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9216    8.4714   11.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 29  1  0  0  0  0
  4  6  2  0  0  0  0
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 10 14  1  0  0  0  0
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 17 38  1  0  0  0  0
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 20 22  2  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
>  <NSC>
164471

>  <CAS_RN>
88234-28-0

$$$$
164588
  Marvin  03121014323D          

 35 36  0  0  0  0            999 V2000
    3.1670   -1.0956   -1.6818 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9841   -1.5652   -0.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5776   -1.7683   -2.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3164   -0.6748    0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3494   -2.7100   -0.0537 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3651   -1.1001   -3.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1255   -3.0856   -3.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9787   -0.4780    0.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648    0.1340   -3.5868 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6249   -1.7713   -5.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4046   -3.7290   -4.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2782    0.5054    0.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174    0.8973   -4.4599 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2271    0.5475   -2.4406 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1396   -3.0711   -5.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5999    0.1853    1.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3860    1.8405    0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3614   -3.7472   -6.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6890   -0.7829    2.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4045   -3.8624   -7.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7957   -4.7352   -6.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 23  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 24  1  0  0  0  0
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  6 10  1  0  0  0  0
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  7 26  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 27  1  0  0  0  0
 11 15  1  0  0  0  0
 11 28  1  0  0  0  0
 12 16  2  0  0  0  0
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 15 18  1  0  0  0  0
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 16 29  1  0  0  0  0
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 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
M  CHG  2   9   1  14  -1
M  END
>  <NSC>
164588

>  <CAS_RN>
999-99-9

$$$$
164866
  Marvin  03121014323D          

 51 55  0  0  1  0            999 V2000
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    0.0062    2.5228    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0080   -5.8987   -5.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -4.7806   -7.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102   -3.5376    4.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0166   -5.7982   -6.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 22  2  0  0  0  0
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 16 38  1  0  0  0  0
 17 23  1  0  0  0  0
 17 39  1  0  0  0  0
 18 24  1  0  0  0  0
 18 40  1  0  0  0  0
 19 25  2  0  0  0  0
 19 41  1  0  0  0  0
 21 26  2  0  0  0  0
 22 27  1  0  0  0  0
 22 42  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 24 30  2  0  0  0  0
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 25 44  1  0  0  0  0
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 27 31  2  0  0  0  0
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 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END
>  <NSC>
164866

>  <CAS_RN>
999-99-9

$$$$
164869
  Marvin  03121014323D          

 41 44  0  0  1  0            999 V2000
   -2.4412    1.0124    3.7754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052    0.6543    2.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1449    1.0432    3.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9419   -0.1146    1.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8124    0.6228    2.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2855    1.8519    4.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9946   -0.5268    0.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3903   -0.4914    1.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3662   -0.1520    0.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1946    0.9904    2.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5426    2.2581    4.9675 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6541    2.2235    4.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4157   -1.3363   -0.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 23 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END
>  <NSC>
164869

>  <CAS_RN>
77422-62-9

$$$$
164871
  Marvin  03121014323D          

 31 34  0  0  0  0            999 V2000
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   -4.6506   -3.3002    0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4050   -2.9667   -1.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9776   -4.6099   -0.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7936    0.7077   -0.1700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4741   -1.9935   -1.6724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6304   -0.9718    0.1433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7726   -3.3339   -3.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3158   -4.9882   -2.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 31  1  0  0  0  0
M  END
>  <NSC>
164871

>  <CAS_RN>
999-99-9

$$$$
165008
  Marvin  03121014323D          

 74 77  0  0  0  0            999 V2000
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M  END
>  <NSC>
165008

>  <CAS_RN>
999-99-9

$$$$
165124
  Marvin  03121014323D          

131134  0  0  1  0            999 V2000
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M  END
>  <NSC>
165124

>  <CAS_RN>
41776-56-1

$$$$
165712
  Marvin  03121014323D          

 38 41  0  0  0  0            999 V2000
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M  END
>  <NSC>
165712

>  <CAS_RN>
75651-09-1

$$$$
165713
  Marvin  03121014323D          

 41 44  0  0  0  0            999 V2000
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 23 41  1  0  0  0  0
M  END
>  <NSC>
165713

>  <CAS_RN>
75651-10-4

$$$$
166074
  Marvin  03121014323D          

 45 48  0  0  0  0            999 V2000
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 25 26  1  0  0  0  0
M  END
>  <NSC>
166074

>  <CAS_RN>
40501-68-6

$$$$
166105
  Marvin  03121014323D          

 35 36  0  0  0  0            999 V2000
   -1.8958    2.0931    3.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5550    2.2219    3.8485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6332    2.5995    4.5024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4380    1.4281    2.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0740    2.8668    4.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 35  1  0  0  0  0
M  END
>  <NSC>
166105

>  <CAS_RN>
999-99-9

$$$$
166106
  Marvin  03121014323D          

 29 31  0  0  0  0            999 V2000
   -0.1242   -2.3666   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395   -1.1227   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2594   -5.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4355   -5.0760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
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 15 17  1  0  0  0  0
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 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
>  <NSC>
166106

>  <CAS_RN>
71323-25-6

$$$$
166150
  Marvin  03121014323D          

 45 47  0  0  1  0            999 V2000
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 14 33  1  0  0  0  0
 15 18  1  0  0  0  0
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 16 20  2  0  0  0  0
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 17 34  1  0  0  0  0
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 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
>  <NSC>
166150

>  <CAS_RN>
53458-39-2

$$$$
166287
  Marvin  03121014323D          

 23 22  0  0  1  0            999 V2000
   -0.4143    0.7379    1.1168 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9677    0.7810    1.2362 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
166287

>  <CAS_RN>
55358-01-5

$$$$
166474
  Marvin  03121014323D          

 40 39  0  0  1  0            999 V2000
   -2.7226    2.6593   -2.4873 C   0  0  1  0  0  0  0  0  0  0  0  0
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 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
M  END
>  <NSC>
166474

>  <CAS_RN>
55109-62-1

$$$$
166541
  Marvin  03121014323D          

 30 32  0  0  0  0            999 V2000
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 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
>  <NSC>
166541

>  <CAS_RN>
51934-19-1

$$$$
166608
  Marvin  03121014323D          

 43 46  0  0  1  0            999 V2000
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 26 43  1  0  0  0  0
M  CHG  2  23   1  28  -1
M  END
>  <NSC>
166608

>  <CAS_RN>
40094-05-1

$$$$
166685
  Marvin  03121014323D          

 48 51  0  0  0  0            999 V2000
    2.5998   -1.5902    0.7662 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6983   -1.4787   -0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
>  <NSC>
166685

>  <CAS_RN>
999-99-9

$$$$
167114
  Marvin  03121014323D          

 46 48  0  0  1  0            999 V2000
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 33 34  1  0  0  0  0
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M  END
>  <NSC>
167114

>  <CAS_RN>
999-99-9

$$$$
167290
  Marvin  03121014323D          

 29 31  0  0  0  0            999 V2000
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M  END
>  <NSC>
167290

>  <CAS_RN>
999-99-9

$$$$
167307
  Marvin  03121014323D          

 52 56  0  0  1  0            999 V2000
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M  END
>  <NSC>
167307

>  <CAS_RN>
999-99-9

$$$$
167314
  Marvin  03121014323D          

 33 35  0  0  1  0            999 V2000
    4.5339   -3.2095    1.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
167314

>  <CAS_RN>
28168-60-7

$$$$
168439
  Marvin  03121014323D          

 33 33  0  0  0  0            999 V2000
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   -2.4660   -2.4970    3.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9294   -3.3841    3.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4895    3.3591    0.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1538    1.2557    0.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9395    3.3593    0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5770   -4.4636    5.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4220   -7.0475    4.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4339   -5.3729    3.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1678   -5.7560    5.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3923   -8.2193    4.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9361   -7.3923    3.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4009   -7.3534    5.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  2  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  2  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
>  <NSC>
168439

>  <CAS_RN>
999-99-9

$$$$
168443
  Marvin  03121014323D          

 41 41  0  0  0  0            999 V2000
    1.1234    1.7230    1.0098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2265    1.8177    1.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9386    1.8879   -0.1575 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2691    2.1348    0.3690 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5827    1.5698    2.3665 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0898    0.8394   -0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5218    3.3307   -0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2952    2.5242   -1.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1727    1.0258   -1.2237 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6172    3.5688   -1.2660 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5160    1.3000   -1.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4727    0.2468   -0.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6851    0.5097   -2.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6043    2.4504   -1.2795 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859    3.8138   -2.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4802    4.8166   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5340    1.7583   -3.6191 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6188    1.5014    1.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3646    1.7057   -1.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1439    2.0902    0.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5755    0.9222    0.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6646   -0.1669   -0.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7090    4.0521   -0.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9578    3.5217    0.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1498    3.1948   -1.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4084    3.0905   -1.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7211    0.5693   -1.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4719    0.8270   -1.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2447    0.3776   -1.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8808    0.6072    0.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2776   -0.8218   -0.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.9073   -2.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5947   -0.5781   -2.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3882    0.7975   -3.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2462    2.5780   -2.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7529    3.7725   -3.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5041    4.7930   -2.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2214    3.0782   -2.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8597    5.7097   -0.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9989    4.6585    0.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2391    5.0096   -1.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 11  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
M  END
>  <NSC>
168443

>  <CAS_RN>
42471-45-4

$$$$
168446
  Marvin  03121014323D          

 21 21  0  0  0  0            999 V2000
    1.3230   -0.1892    1.3005 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2246   -0.8755    0.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331   -0.6599    2.4837 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1156   -0.3058   -1.0043 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3385   -0.8697    3.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6098   -0.9429    3.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1991   -1.1524   -2.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8493    1.1091   -1.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8316   -0.6480    2.8957 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5601   -1.3579    4.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1511   -0.7863    2.3317 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3796   -1.5200    4.6478 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2430   -1.8686    0.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2037   -0.5909   -3.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1179   -1.7423   -2.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3457   -1.8328   -2.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9434    1.4594   -2.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5475    1.6961   -0.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1680    1.3239   -0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2445   -0.6208    5.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0781   -2.3200    4.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
>  <NSC>
168446

>  <CAS_RN>
999-99-9

$$$$
168447
  Marvin  03121014323D          

 14 13  0  0  0  0            999 V2000
   -0.5799    1.6670   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0423    1.6954   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0039   -0.0666    0.0001 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7659    1.7013    1.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7156    1.7122   -1.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6574    0.0145    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8041    0.0755    0.0019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1858    2.1754    0.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1627    2.1715   -0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9362    2.7308    1.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1981    1.1854    2.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7307    1.1974    1.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2372    1.7095   -2.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7074    1.7260   -1.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  3  0  0  0  0
M  END
>  <NSC>
168447

>  <CAS_RN>
24309-27-1

$$$$
168448
  Marvin  03121014323D          

 20 21  0  0  1  0            999 V2000
    1.2561   -0.0617   -0.1026 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062   -0.0416   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8136   -1.2865    0.0005 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7662    1.2316    0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203   -1.2025   -1.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6294   -1.2420    1.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2382    0.9121    0.1438 N   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6617    0.1171   -1.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4733    0.0818    1.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1976   -2.1882   -0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5695    1.8359   -0.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4429    1.8083    0.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4798   -2.0746   -1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2723   -1.2163   -2.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9442   -1.2882    2.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2877   -2.1128    1.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7293   -0.1202   -1.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5313    0.7263   -1.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5381   -0.1482    1.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1973    0.6633    2.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
>  <NSC>
168448

>  <CAS_RN>
3731-38-2

$$$$
168450
  Marvin  03121014323D          

 40 41  0  0  1  0            999 V2000
   -2.0122   -0.4645    3.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988   -1.2133    3.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8911   -1.2164    4.6955 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1691   -0.4756    2.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3011   -0.5981    5.0504 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3054   -2.6804    4.3013 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3283   -0.1069    1.1157 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3567   -0.2439    2.6620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6778    0.5580    4.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2617   -1.8026    4.7607 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4378   -2.9880    5.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0761   -2.6898    3.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3713    0.4989    0.0075 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9973    1.5225    3.8705 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2668   -2.1581    3.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7136    0.8233   -1.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3835   -0.5288   -0.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890    1.8287    0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7535    0.5195    4.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5962   -0.3049    2.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9428   -2.1682    2.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1534   -1.4294    4.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2937   -1.2714    5.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3354   -0.3660    6.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4938   -3.4119    4.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657   -0.3098    0.9679 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9191   -0.0984   -1.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1204   -0.8338    0.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8629   -1.4266   -0.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4894    2.3316   -0.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9255    1.6444    1.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3920    2.5092    0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 23  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 25  1  0  0  0  0
  7 13  1  0  0  0  0
  7 26  1  0  0  0  0
  9 14  3  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 15  2  0  0  0  0
 12 30  1  0  0  0  0
 13 16  1  0  0  0  0
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 13 18  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
M  END
>  <NSC>
168450

>  <CAS_RN>
999-99-9

$$$$
168753
  Marvin  03121014323D          

 26 27  0  0  0  0            999 V2000
   -4.1097   -0.0090   -0.0203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6177   -0.0047    1.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0019   -1.2186   -0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8165   -2.3560    1.3099 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3414   -1.2105    3.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8149    2.3438    1.2867 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3376    1.2211    3.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    2.3555   -0.2207 F   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6236   -2.3602   -0.2187 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5926   -1.2191   -0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5307   -2.3773    3.8438 F   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5215    2.3950    3.8243 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0572    2.3509   -0.0353 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1113   -0.0004    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0604   -2.3519   -0.0354 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0033    0.0168    5.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4161    0.0007    0.0786 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2140   -1.0313    5.9913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2458    1.1570    6.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5717    1.1211    6.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  9 16  1  0  0  0  0
  9 17  2  0  0  0  0
 11 18  1  0  0  0  0
 11 17  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  2  0  0  0  0
 15 21  1  0  0  0  0
 15 20  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <NSC>
168753

>  <CAS_RN>
14055-52-8

$$$$
168988
  Marvin  03121014323D          

 33 35  0  0  0  0            999 V2000
    6.7177    1.5144    1.9702 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5916    1.5943    0.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4090    1.4376   -0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6063    1.8577   -0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6921    1.6022   -1.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0995    1.1611    0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0538    1.8627   -1.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9806    2.0946   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6833    1.4972   -2.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560    1.0489   -0.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8473    2.1029   -2.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7870    2.3369   -1.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3649    1.2200   -1.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7841    0.7894   -0.2268 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2252    2.3411   -2.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    1.0893   -3.2375 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1953    0.5878    0.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1137    0.3439    0.9381 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5585   -1.0245    0.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0137    1.4513    1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9208    1.0454    1.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3894    2.0920    0.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9029    1.6198   -3.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4368    2.1050   -3.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7863    2.5108   -1.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8199    2.5179   -3.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6902    0.6075    1.7583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6459   -1.1084    0.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1550   -1.5455    0.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2194   -1.5372    1.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0613    1.1511    1.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8461    2.2131    0.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8513    1.8998    2.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 22  1  0  0  0  0
  9 13  2  0  0  0  0
  9 23  1  0  0  0  0
 10 14  1  0  0  0  0
 10 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 24  1  0  0  0  0
 12 15  1  0  0  0  0
 12 25  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <NSC>
168988

>  <CAS_RN>
999-99-9

$$$$
168989
  Marvin  03121014323D          

 29 29  0  0  0  0            999 V2000
   -2.4945   -0.4945   -2.3207 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.0117   -0.4824   -3.3691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1742   -1.6462   -1.8862 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.2882    0.6270   -1.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1187    0.8291   -0.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2683    1.6531   -1.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1147   -0.0950   -0.8702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0052    2.0016   -0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1529    2.8465   -0.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9700   -0.0222   -0.2204 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0107    2.9797   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0867    3.8165   -0.9294 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9216   -0.8803   -0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0258    3.7563   -1.6223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0138    4.8856   -0.2447 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0766   -0.7550    0.3920 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2887    0.2461    1.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1536   -1.6679    0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0969    1.5215   -2.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2244   -0.8541   -1.4632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1791    2.1621    0.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8900    3.8019    0.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8005   -1.6655   -0.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4334    0.9086    1.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4983   -0.2463    2.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1434    0.8700    1.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8455   -2.6899    0.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0589   -1.4569    0.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4150   -1.6073   -0.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  8 11  2  0  0  0  0
  8 21  1  0  0  0  0
  9 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  CHG  4   1   1   3  -1  12   1  15  -1
M  END
>  <NSC>
168989

>  <CAS_RN>
13777-55-4

$$$$
168990
  Marvin  03121014323D          

 37 38  0  0  0  0            999 V2000
    2.9914    1.4973   -2.7580 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6738    1.3900   -1.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9491    1.7960   -1.5282 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2145    0.8400   -0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3258    1.4948   -0.3038 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6642    2.4687   -2.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9947    0.3557   -0.3416 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2772    0.9514    0.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6527    1.6181    0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    3.8025   -2.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9897    1.8469   -3.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6732   -0.7714    0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2263    0.5402    1.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7945    4.5024   -3.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7126    2.5442   -4.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3935   -1.1450    0.3637 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1126    3.8732   -4.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0919   -2.5573    0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6152   -0.1635    0.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3809    1.9779   -0.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9963    0.6422    0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6484    2.3142    1.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8544    4.2685   -1.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7109    0.8797   -3.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3956   -1.4064    0.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1551   -0.5444    1.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3552    0.9804    2.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1102    0.8608    2.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0863    5.4680   -3.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9492    2.0853   -5.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6386    4.3805   -5.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9787   -2.7620    0.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4772   -3.0121   -0.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5587   -3.0577    1.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6150   -0.5946    0.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560    0.6317   -0.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811    0.2843    1.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 11 15  2  0  0  0  0
 11 24  1  0  0  0  0
 12 16  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 17  2  0  0  0  0
 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
 15 30  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
>  <NSC>
168990

>  <CAS_RN>
999-99-9

$$$$
168996
  Marvin  03121014323D          

 20 20  0  0  0  0            999 V2000
    0.9554   -0.7729    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2615   -0.1409    0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414   -0.0832    0.6464 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7075    1.2117   -1.0236 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1578   -0.5054    1.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862   -0.6952    1.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069    1.3245    0.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5135   -1.9227    0.9257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2806    0.2158    1.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6026    1.5945    1.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0161   -1.8008    0.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7211   -0.8541   -1.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0327   -0.0463    1.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.2383    1.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    1.8794   -0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5740    1.6296    1.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4961   -0.0510    2.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2012    0.1803    1.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1799    2.2605    0.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5199    2.0563    2.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <NSC>
168996

>  <CAS_RN>
999-99-9

$$$$
170158
  Marvin  03121014323D          

 34 35  0  0  1  0            999 V2000
    2.1529    3.4155    1.2533 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5934    2.1405    1.5715 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6028    1.9285    3.0907 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0922    2.0989    1.1912 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1761    2.2585    3.5226 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8024    0.5612    3.4541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4754    0.7065    0.7482 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5755    2.6166    2.3561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3300    1.0760    4.1441 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8215    0.2786    4.4611 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0261    0.6798    0.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1533    0.3859   -0.6269 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3696    0.6053    5.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4373   -1.2183    4.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5207   -0.5800    0.3451 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0914   -0.2800   -0.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1043    3.4760    0.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1922    1.3749    1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3454    2.5577    3.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0999    2.8002    0.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1555    3.0851    4.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1278   -0.0720    1.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308    1.4579    0.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3941    0.8429    1.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6234    0.3649    6.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2754    0.0273    6.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6159    1.6652    5.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2972   -1.4745    5.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3213   -1.8452    4.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0041   -1.4383    3.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4954   -0.4765    0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9063    0.4391   -0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0039   -0.7668   -1.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3248   -1.0456   -0.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 16  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
>  <NSC>
170158

>  <CAS_RN>
5488-90-4

$$$$
170450
  Marvin  03121014323D          

 28 28  0  0  0  0            999 V2000
   -0.4416    0.5623    1.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2590   -0.1650    0.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0980    1.5794    1.6508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7229    0.1586    1.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5938    0.0659   -0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3637    0.7696    2.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3915   -0.8004    0.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3093   -0.1391    3.4834 N   0  3  2  0  0  0  0  0  0  0  0  0
   -3.6978   -1.3249    1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0269    0.6582    4.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5459   -1.2531    4.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3271   -0.6792    2.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2876    0.0106    0.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8503   -0.7099   -0.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6706    1.0438   -0.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    1.1511    3.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9060    1.6447    2.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9753   -1.2165    0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5939   -2.4006    1.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3758   -1.1884    0.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3247    1.0950    5.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5989    1.4819    4.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7289    0.0358    5.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150   -1.9167    4.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8150   -0.8530    4.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9947   -1.8719    3.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9755    0.1373    2.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9840   -1.4126    2.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 12  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  CHG  1   8   1
M  END
>  <NSC>
170450

>  <CAS_RN>
4554-30-7

$$$$
170737
  Marvin  03121014323D          

 20 21  0  0  0  0            999 V2000
   -2.0561   -1.0857    2.1256 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.9415   -1.5191    2.7512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4877   -0.0568    2.6014 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6438   -1.6681    0.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143   -1.2044    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0065   -2.8782    0.5234 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5707   -2.1585   -0.8740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0088    0.0177    0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7923   -3.6420    1.0187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3609   -3.1503   -0.5755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900    1.2570    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4039    0.0099   -0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0295    2.4644   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1222    1.2183   -0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4353    2.4451   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7110    1.2894    0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9193   -0.8730   -0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4694    3.3559   -0.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1439    1.2032   -0.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9593    3.3223   -0.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
>  <NSC>
170737

>  <CAS_RN>
76016-69-8

$$$$
170738
  Marvin  03121014323D          

 38 39  0  0  0  0            999 V2000
   -6.7480    3.3481   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6722    4.3634   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8269    5.7508   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2865    4.1200    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5545    6.2979    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9620    6.5800   -0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6633    2.8690    0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6336    5.3128    0.0905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573    7.6833    0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8045    7.9913   -0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3370    2.5895    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4843    8.5464    0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0191    8.8525   -0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8506    1.2690    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4581    3.5257   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2554   10.0156    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4990    1.0142    0.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6296    0.2833    0.0555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6644    4.3557   -0.0585 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1527   -0.2625    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6753   -0.0464    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7748    2.8071    0.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5586    2.6432   -0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
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  9 12  2  0  0  0  0
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 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END
>  <NSC>
170738

>  <CAS_RN>
40763-18-6

$$$$
171101
  Marvin  03121014323D          

 83 88  0  0  0  0            999 V2000
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 47 80  1  0  0  0  0
 51 81  1  0  0  0  0
 52 82  1  0  0  0  0
 53 83  1  0  0  0  0
M  END
>  <NSC>
171101

>  <CAS_RN>
999-99-9

$$$$
171442
  Marvin  03121014323D          

 21 20  0  0  1  0            999 V2000
   -0.5909   -2.1777    0.5139 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0034   -2.6812    0.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1868   -4.2178    0.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8268   -0.1981    0.1988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5863   -4.7017    1.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6776   -6.1147    1.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
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  5 16  1  0  0  0  0
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  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
>  <NSC>
171442

>  <CAS_RN>
21926-01-2

$$$$
171502
  Marvin  03121014323D          

 22 22  0  0  0  0            999 V2000
   -0.0278   -1.5714    0.2452 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7268   -1.9958    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <NSC>
171502

>  <CAS_RN>
13511-89-2

$$$$
171655
  Marvin  03121014323D          

 39 40  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
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 21 39  1  0  0  0  0
M  END
>  <NSC>
171655

>  <CAS_RN>
999-99-9

$$$$
171721
  Marvin  03121014323D          

 34 36  0  0  1  0            999 V2000
   -3.4363    5.1227    2.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4907    4.2540    3.3498 S   0  0  1  0  0  0  0  0  0  0  0  0
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   -5.2835    2.4404    3.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5432    1.8642    3.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1231    5.6905    4.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
>  <NSC>
171721

>  <CAS_RN>
999-99-9

$$$$
172949
  Marvin  03121014323D          

 40 42  0  0  1  0            999 V2000
   -1.7763    3.6106    1.7261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0372    2.4808    1.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2046    2.1688    0.6327 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0805    1.3586    1.3230 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0919    1.4432    0.3764 N   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1672    0.1816   -0.0728 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
>  <NSC>
172949

>  <CAS_RN>
89143-26-0

$$$$
172951
  Marvin  03121014323D          

 46 49  0  0  1  0            999 V2000
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   -4.4446    4.6169   -0.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 25  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
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  9 13  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  2  0  0  0  0
 10 30  1  0  0  0  0
 12 15  1  0  0  0  0
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 12 31  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 17  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 20  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 37  1  0  0  0  0
 19 23  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 23  1  0  0  0  0
 20 40  1  0  0  0  0
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 21 24  2  0  0  0  0
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 22 24  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END
>  <NSC>
172951

>  <CAS_RN>
999-99-9

$$$$
173889
  Marvin  03121014323D          

 25 24  0  0  0  0            999 V2000
   -3.9406    0.7603   -0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5036   -0.5077    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1137    1.8547   -0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3387   -1.5969    0.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6110    2.9684   -0.5600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7657    1.7928   -0.1421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8624   -2.7540    0.2094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6838   -1.4688    0.2867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9195    0.9357   -0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5264   -0.6892   -0.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 20  1  0  0  0  0
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 15 16  2  0  0  0  0
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 16 18  1  0  0  0  0
 16 23  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
>  <NSC>
173889

>  <CAS_RN>
999-99-9

$$$$
174116
  Marvin  03121014323D          

 10  9  0  0  0  0            999 V2000
   -1.1062    0.0241    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3967    0.0792    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9992    1.2518    0.4543 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9763    1.3101    0.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7441   -0.5717   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  3  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
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  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <NSC>
174116

>  <CAS_RN>
590-93-2

$$$$
174616
  Marvin  03121014323D          

 30 32  0  0  0  0            999 V2000
   -0.7229    1.1402   -0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757    1.9845   -0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6889   -0.5992    1.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5353    0.3600   -1.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  4 15  1  0  0  0  0
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 10 24  1  0  0  0  0
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 11 14  2  0  0  0  0
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 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
>  <NSC>
174616

>  <CAS_RN>
16896-36-9

$$$$
174861
  Marvin  03121014323D          

 35 37  0  0  1  0            999 V2000
   -0.9039   -1.8314    2.3333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5322   -1.7300    1.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8438   -1.1893   -1.2121 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -3.6857   -2.2852    0.0973 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6330    0.1676   -1.3189 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8140   -2.4012   -1.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7841    0.1319    1.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
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 11 14  1  0  0  0  0
 12 23  1  0  0  0  0
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 13 15  1  0  0  0  0
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 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END
>  <NSC>
174861

>  <CAS_RN>
93354-31-5

$$$$
174885
  Marvin  03121014323D          

 53 56  0  0  0  0            999 V2000
    0.4650    4.5719    0.5217 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4910    3.6851    1.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0536    3.7218   -0.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2807    3.3367   -1.4944 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.4813    3.2799   -0.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2464    2.4441   -3.4496 Hf  0  0  0  0  0  0  0  0  0  0  0  0
    2.9903    2.4140   -1.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121    0.6341   -4.3185 O   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1561    4.0536   -3.5530 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.2872    2.7720   -5.5662 O   0  3  0  0  0  0  0  0  0  0  0  0
   -1.5983    1.6060   -4.2348 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.3677    4.2609   -3.7859 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.3566    0.9074   -2.0692 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.1873    2.0692   -2.6153 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.4156    1.9063   -1.7669 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9423   -0.6098   -4.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2719    5.5120   -3.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2130   -0.3362   -1.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5004    0.5304   -1.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4367    2.8981   -1.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8734    1.6843   -3.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7818   -1.5250   -5.0312 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0841   -1.1019   -3.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1326    3.2395   -7.8799 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2011    1.2397   -6.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4595    0.5277   -5.3293 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5249    6.3596   -3.9560 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2035   -0.9806   -0.5774 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.8131    5.4837   -4.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4919    7.3388   -5.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7563   -0.0081    0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0767   -2.2829   -0.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2748   -1.3241   -0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  2  0  0  0  0
 19 11  2  0  0  0  0
 20 12  2  0  0  0  0
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 22 14  2  0  0  0  0
 23 15  2  0  0  0  0
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 25 17  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
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 29 19  1  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
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 33 21  1  0  0  0  0
 34 22  1  0  0  0  0
 35 23  1  0  0  0  0
 36 27  1  0  0  0  0
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 38 27  1  0  0  0  0
 39 29  1  0  0  0  0
 40 29  1  0  0  0  0
 41 29  1  0  0  0  0
 42 31  1  0  0  0  0
 43 31  1  0  0  0  0
 44 31  1  0  0  0  0
 45 33  1  0  0  0  0
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 47 33  1  0  0  0  0
 48 34  1  0  0  0  0
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 50 34  1  0  0  0  0
 51 35  1  0  0  0  0
 52 35  1  0  0  0  0
 53 35  1  0  0  0  0
  9 16  2  0  0  0  0
 23 28  1  0  0  0  0
 22 30  1  0  0  0  0
 21 32  1  0  0  0  0
M  CHG  8   6   1  10   1  11   1  12   1  13   1  14   1  15   1  16   1
M  END
>  <NSC>
174885

>  <CAS_RN>
63370-90-1

$$$$
175684
  Marvin  03121014323D          

 30 29  0  0  0  0            999 V2000
   -0.1888    2.1759    3.7717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3200    0.7999    3.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6260    2.9604    2.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8257    2.8380    4.6699 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1610   -0.0539    2.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9108    0.2009    4.6967 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1580    2.8735    3.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8093   -0.1452    1.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8656    3.4179    1.8984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1262   -0.8441    0.3122 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2772    3.0104    1.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9097   -0.9448   -0.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3961    2.6393    1.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3538    4.0205    2.8778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7602    3.7697    4.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3426   -1.0719    2.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1249    0.3025    2.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0188   -0.7278    4.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4599    1.8402    3.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    3.4661    3.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1111    0.8573    1.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7016   -0.7066    1.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3879    3.0593    1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7111   -0.2986    0.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7196    3.5623    0.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8424    3.2286    2.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3383    1.9432    1.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3013   -1.4481   -1.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1731    0.0469   -1.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8179   -1.5302   -0.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END
>  <NSC>
175684

>  <CAS_RN>
999-99-9

$$$$
176330
  Marvin  03121014323D          

 23 24  0  0  0  0            999 V2000
   -1.0613   -4.1552   -1.0940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9851   -5.2165   -0.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2280   -2.9220   -0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3131   -2.0485   -0.7403 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3240   -2.4517   -0.0558 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7511   -0.9777   -0.2616 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0408   -1.1244    0.1193 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0245    0.1797   -0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6665    1.4386   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3914    0.1441   -0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0841    2.6225    0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1418    1.3250    0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2384   -4.3578   -1.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0026   -4.9055   -1.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0776   -0.9384    1.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6858    1.5052   -0.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8899   -0.7470   -0.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3937    3.5247    0.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1636    1.2800    0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317    3.4252    0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <NSC>
176330

>  <CAS_RN>
999-99-9

$$$$
180668
  Marvin  03121014323D          

 68 69  0  0  1  0            999 V2000
    0.3810    2.0588   -0.3653 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0396    0.7343   -0.9719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2013    1.6953    1.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5478    3.1635   -0.2800 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8173    2.5442   -1.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3818   -0.4934   -0.6259 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7992    2.8093    1.9761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6948    2.9143    0.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1733    3.5296   -1.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3271    3.8720   -1.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5223    1.6978   -2.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9113   -1.7410   -0.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0714    2.3458    3.3802 N   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4068    4.3524   -1.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5955    2.1516   -2.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2598   -2.8435    0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9701   -1.9590   -1.3453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2727    3.4790    4.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    1.3269    3.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0391    3.4830   -2.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8717    5.6834   -1.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1660   -3.5489    1.0057 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0963    3.9639   -3.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9328    6.1491   -2.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8968   -4.7320    0.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5380    5.2924   -3.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
M  END
>  <NSC>
180668

>  <CAS_RN>
33839-95-1

$$$$
183759
  Marvin  03121014323D          

 26 26  0  0  0  0            999 V2000
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 13 26  1  0  0  0  0
M  END
>  <NSC>
183759

>  <CAS_RN>
33720-94-4

$$$$
184781
  Marvin  03121014323D          

 47 49  0  0  1  0            999 V2000
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M  END
>  <NSC>
184781

>  <CAS_RN>
40374-46-7

$$$$
190355
  Marvin  03121014323D          

 29 29  0  0  0  0            999 V2000
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   -4.3358    6.7287    3.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1183   -0.5446    1.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2394   -0.9431   -0.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9497    5.6769   -1.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6986    7.3760   -0.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6217    6.5994   -1.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7919    7.5192    1.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1094   -1.0855    0.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9331    0.3252   -0.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0546    0.5430    0.8203 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6 10  2  0  0  0  0
  6 19  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
>  <NSC>
190355

>  <CAS_RN>
21911-66-0

$$$$
190362
  Marvin  03121014323D          

 17 17  0  0  0  0            999 V2000
    0.3923    0.0116    0.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6976    0.6271    0.1598 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2986   -1.3272   -0.0664 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6521    0.6671    0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7668    2.0569    0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8504   -0.0733    0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7206    2.8215    0.7191 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311    2.6743    0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1111    0.5450    0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2058    1.9242    0.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4141    2.5227    0.4750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5762   -1.7593   -0.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8256   -1.0771   -0.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937    3.6770    0.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9582   -0.0140    0.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2199    2.0036    0.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4846    3.4759    0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <NSC>
190362

>  <CAS_RN>
446-31-1

$$$$
190373
  Marvin  03121014323D          

 21 23  0  0  1  0            999 V2000
   -3.1887   -1.4624    0.1185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1888   -0.7133    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2421    0.7567    0.0900 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9310   -1.1556   -0.0728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7671    1.1609   -0.0725 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8803    1.5029   -1.1136 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0722   -0.1324   -0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8400    2.0431   -1.3489 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0937    2.6974   -1.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5821    0.9044   -2.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1634   -0.2643   -0.3033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1038    1.3000   -2.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6503    1.1062    1.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753   -2.0913   -0.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4099    1.7353    0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9447    1.7057   -0.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0058    2.7447   -1.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7360   -0.1759   -2.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2063    1.3835   -3.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4486    0.4379   -2.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9794    1.9781   -3.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
>  <NSC>
190373

>  <CAS_RN>
999-99-9

$$$$
191783
  Marvin  03121014323D          

 23 24  0  0  1  0            999 V2000
   -0.0423    1.2716    0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1743    0.0436    0.3538 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8104    2.0019    1.2254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2064    1.9220   -0.1850 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2135    1.9646   -1.7462 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5287    1.1466    0.0843 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0358    1.3607   -2.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5580    1.2322   -2.0306 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8104    1.9803   -0.1485 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5683    0.2322   -1.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0589    1.9682   -2.4231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0918    0.1572   -3.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8429    2.0254   -1.6883 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3649    1.0889    0.5811 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9223    3.8169   -2.4124 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5868    1.5771    1.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2843    2.9403    0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2769    2.9969   -2.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5438    0.6430    1.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6189    0.8140   -3.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7278    2.9730    0.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7071   -0.2114   -3.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7045    1.4753   -2.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <NSC>
191783

>  <CAS_RN>
999-99-9

$$$$
193564
  Marvin  03121014323D          

 31 33  0  0  0  0            999 V2000
    0.1729    0.6788   -0.0843 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1281    1.3347    1.5099 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3273    0.0754   -0.3242 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1116    0.5012    2.4653 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6372    2.8520    1.4275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5179    1.2458    2.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4546   -1.2698   -0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800    0.7960   -0.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2670    0.0582    2.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0783    2.3415    2.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4658   -1.9232    0.3143 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6942   -1.9139   -0.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2802    2.0169   -1.0744 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793    0.2023   -1.0389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5493   -0.0437    2.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3617    2.2389    3.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7691   -1.1207   -0.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320   -3.2887   -0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0930    1.0428    3.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0294   -1.7054   -1.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1618   -3.8166   -0.3204 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2019   -3.0765   -0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8822   -0.7407    1.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5540    3.2133    2.9451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3185    0.7376   -1.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0864   -0.9094    2.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7614    3.0321    3.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -3.9054    0.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0175    0.9632    3.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8128   -1.1439   -1.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1052   -3.5227   -0.9465 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 23  1  0  0  0  0
 10 16  2  0  0  0  0
 10 24  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 15 19  2  0  0  0  0
 15 26  1  0  0  0  0
 16 19  1  0  0  0  0
 16 27  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 22  2  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
 22 31  1  0  0  0  0
M  END
>  <NSC>
193564

>  <CAS_RN>
40462-37-1

$$$$
193705
  Marvin  03121014323D          

 68 71  0  0  0  0            999 V2000
   -9.4170    0.0913    0.2975 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6955   -0.5008    1.7578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1541    1.6682    0.3629 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7665   -0.2177   -0.6999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0597   -0.6900   -0.3794 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5123    0.1357   -1.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3261   -0.4868    0.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2464    0.8353    1.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7432    0.1048    2.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6898    0.3047    0.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3863    0.6595    4.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0430    0.3720    0.3528 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.7304   -0.2513   -0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    0.6060    4.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3652    1.2776    4.9621 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4910    0.0026   -0.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9829    0.7987    1.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1849   -0.6715   -1.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3401   -0.3997    0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0732    0.0130    3.8579 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6956    1.1976    5.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0121    1.8441    6.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8714    0.1564   -1.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5399   -0.5314   -1.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3414    0.9343    0.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2816   -1.2189   -2.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4478   -0.9872   -0.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6756    1.8130    6.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7980    0.6334   -0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4015   -0.1238   -2.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9177   -1.3719   -2.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1264   -1.1451   -0.5002 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1687    0.8112   -0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7630    0.0557   -2.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0588   -1.9063   -3.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8205   -2.4564    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6595    0.5106   -1.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2100   -0.2411   -4.1643 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0907    0.8607   -5.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7798   -0.4936   -1.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4032   -1.3409   -2.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
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 15 45  1  0  0  0  0
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 29 33  1  0  0  0  0
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 30 55  1  0  0  0  0
 31 35  1  0  0  0  0
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 33 37  2  0  0  0  0
 33 56  1  0  0  0  0
 34 38  1  0  0  0  0
 34 37  1  0  0  0  0
 35 39  1  0  0  0  0
 36 57  1  0  0  0  0
 36 58  1  0  0  0  0
 36 59  1  0  0  0  0
 37 40  1  0  0  0  0
 38 41  1  0  0  0  0
 39 60  1  0  0  0  0
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 40 42  1  0  0  0  0
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 41 65  1  0  0  0  0
 42 66  1  0  0  0  0
 42 67  1  0  0  0  0
 42 68  1  0  0  0  0
M  CHG  1  12   1
M  END
>  <NSC>
193705

>  <CAS_RN>
999-99-9

$$$$
193713
  Marvin  03121014323D          

 37 41  0  0  0  0            999 V2000
    1.8547    2.1091   -0.0323 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3804    0.9845    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3774   -0.0657    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1708    1.0944    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9254    2.9127    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -1.9702   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7496   -2.5258    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0418    2.1788   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9740    0.8195   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2729    0.7548   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8641   -2.6537   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4192    0.6887    0.0016 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7773   -0.0288    0.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4796   -1.9101   -0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0340    3.9382    0.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7010   -4.0822   -0.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3267   -4.5557   -0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7645    4.8285   -0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7830    6.1290    0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1481    6.6407   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
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  4 28  1  0  0  0  0
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 18 22  2  0  0  0  0
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 21 36  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  3  0  0  0  0
 24 37  1  0  0  0  0
 25 27  3  0  0  0  0
M  END
>  <NSC>
193713

>  <CAS_RN>
52197-19-0

$$$$
194312
  Marvin  03121014323D          

 16 16  0  0  0  0            999 V2000
   -0.7350   -1.1838    0.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0524   -1.9647   -0.2749 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0026    0.0452    0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    0.0593    0.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928    1.2368    0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0904    1.2303    0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0075    2.3510   -0.1506 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3469    2.3836   -0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1362   -1.7961    1.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6663   -0.9348    1.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5097   -2.8229    0.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1635   -2.2410   -0.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9512   -0.7818    0.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7137    1.2792    0.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103    1.2420    0.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8192    3.2452   -0.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  2  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
>  <NSC>
194312

>  <CAS_RN>
84359-15-9

$$$$
195987
  Marvin  03121014323D          

 28 29  0  0  1  0            999 V2000
   -0.5928   -1.3044   -0.0292 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -1.2791   -2.4366    2.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5043    0.1592   -0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7160   -2.1002    2.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7007   -3.1987    3.0739 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -3.3277    2.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0419    2.4878    0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2867   -3.8587    3.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  2 18  1  0  0  0  0
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  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 20  1  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  8 13  2  0  0  0  0
  8 22  1  0  0  0  0
  9 14  1  0  0  0  0
  9 23  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  2  0  0  0  0
 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
>  <NSC>
195987

>  <CAS_RN>
999-99-9

$$$$
196203
  Marvin  03121014323D          

 14 14  0  0  0  0            999 V2000
    1.7457    0.0222   -1.6580 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1546   -1.1737   -2.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    0.2947   -0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1479   -0.3571    0.4398 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8160    1.4925   -0.9094 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9767   -0.0310    1.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8450    1.0725    0.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9619   -1.3798   -3.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8575   -2.1001   -2.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3039   -0.7591   -3.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5741   -0.9316    1.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6194    0.3208    2.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8104    0.6878    0.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9844    1.9430    1.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
>  <NSC>
196203

>  <CAS_RN>
19975-56-5

$$$$
196204
  Marvin  03121014323D          

 38 37  0  0  0  0            999 V2000
   -3.9007    0.0218    0.0517 N   0  0  2  0  0  0  0  0  0  0  0  0
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   -3.5452    2.2234   -1.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8946   -2.1886   -0.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8276    0.1131    2.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1354    0.2660   -1.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0039   -1.9311    0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9207    2.0871    0.1086 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4599    2.4708   -0.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1937    0.7943   -0.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  2  9  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
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 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
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 29 32  2  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 31 33  2  0  0  0  0
 31 37  1  0  0  0  0
 32 34  1  0  0  0  0
 32 33  1  0  0  0  0
 33 38  1  0  0  0  0
M  END
>  <NSC>
196204

>  <CAS_RN>
999-99-9

$$$$
196207
  Marvin  03121014323D          

 24 24  0  0  0  0            999 V2000
   -0.2921   -0.8071   -0.2075 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5711   -1.2670   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9066   -1.1780    0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6184   -0.7336   -0.7477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8803   -2.2010    0.7130 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0958   -0.5046   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0266   -2.2129    1.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912    0.3332   -1.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0857    0.6172   -0.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3527   -0.9479    0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2773   -2.6071    1.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0334    0.8531   -1.7265 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0762    1.5185   -0.9499 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4480   -1.9920    1.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9595   -2.4977    1.9353 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2162   -0.0970   -0.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
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  3  7  1  0  0  0  0
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  4 17  1  0  0  0  0
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  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 22  1  0  0  0  0
 11 14  1  0  0  0  0
 11 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
196207

>  <CAS_RN>
999-99-9

$$$$
196208
  Marvin  03121014323D          

 19 19  0  0  0  0            999 V2000
   -0.3639   -1.3724   -0.6064 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7632   -2.4736    0.0676 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6553   -1.2490   -1.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0550   -2.5623   -0.8795 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0947   -3.9263    0.1842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244   -2.2665   -2.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2274   -0.0320   -2.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0807   -1.9414    2.8436 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
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  4 14  1  0  0  0  0
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  7 16  1  0  0  0  0
  8 11  2  0  0  0  0
  8 17  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
>  <NSC>
196208

>  <CAS_RN>
999-99-9

$$$$
196254
  Marvin  03121014323D          

 52 54  0  0  0  0            999 V2000
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    1.7554    6.6445  -11.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3965    6.6262  -14.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9761    5.9184  -10.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2750    6.5547   -9.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416    4.5040  -10.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0642    6.2569  -16.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 50  1  0  0  0  0
 26 28  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  END
>  <NSC>
196254

>  <CAS_RN>
999-99-9

$$$$
200696
  Marvin  03121014323D          

 29 29  0  0  0  0            999 V2000
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M  END
>  <NSC>
200696

>  <CAS_RN>
7403-42-1

$$$$
201866
  Marvin  03121014323D          

 40 41  0  0  1  0            999 V2000
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 19 40  1  0  0  0  0
M  END
>  <NSC>
201866

>  <CAS_RN>
999-99-9

$$$$
201868
  Marvin  03121014323D          

 42 44  0  0  0  0            999 V2000
    6.6241   -4.7488    0.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
201868

>  <CAS_RN>
999-99-9

$$$$
202499
  Marvin  03121014323D          

 73 72  0  0  1  0            999 V2000
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 33 73  1  0  0  0  0
M  END
>  <NSC>
202499

>  <CAS_RN>
999-99-9

$$$$
202501
  Marvin  03121014323D          

 41 43  0  0  0  0            999 V2000
    1.9510   -1.0250    0.1186 C   0  0  2  0  0  0  0  0  0  0  0  0
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 23 25  1  0  0  0  0
M  CHG  2  23   1  25  -1
M  END
>  <NSC>
202501

>  <CAS_RN>
70298-77-0

$$$$
202503
  Marvin  03121014323D          

 22 22  0  0  0  0            999 V2000
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   -0.8895   -3.6875    1.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  4 17  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
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 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <NSC>
202503

>  <CAS_RN>
23383-87-1

$$$$
202652
  Marvin  03121014323D          

 22 23  0  0  1  0            999 V2000
   -1.4096   -0.3904    2.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2898    0.0145    2.9598 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7802   -1.2421    1.1903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0485    0.1746    1.9899 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.0560   -0.4897    2.8067 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.2334    2.5177    1.1121 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2316    0.3032    3.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3351    0.7267    4.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2018    2.4839    4.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  6  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 19  1  0  0  0  0
 13 15  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <NSC>
202652

>  <CAS_RN>
3513-09-5

$$$$
202715
  Marvin  03121014323D          

 18 18  0  0  0  0            999 V2000
    2.3612    0.3282   -0.0135 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284   -1.0763    0.7502 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9706   -0.0328   -1.5267 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0677    0.9010    0.7434 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6869    1.5011    0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0237    1.0580   -0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4147    2.8823    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    1.9853   -0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4683    3.8157    0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6816    1.4207   -0.1119 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8047    3.3676    0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1852    5.1303    0.1824 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8178    4.2694    0.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2254    0.0563   -0.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466    3.2102    0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2615    5.4274    0.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9045    5.7810    0.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9888    4.4411   -0.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <NSC>
202715

>  <CAS_RN>
22243-87-4

$$$$
202716
  Marvin  03121014323D          

 17 17  0  0  0  0            999 V2000
   -0.2807    2.1516   -0.3835 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2672    3.0057   -1.1813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0064    2.5010    0.8057 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6125    0.8937   -0.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1066   -0.2404   -0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7317    0.6769   -1.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5971   -0.0988    0.7410 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3373   -1.5411   -0.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1457   -0.6201   -1.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122   -1.5500    0.8139 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2664    0.3558    2.2432 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5867    0.9740    0.0747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4510   -1.7298   -1.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4749   -0.8434   -2.9136 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2573    1.4752   -1.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522   -2.3661   -0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7453   -2.6795   -1.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 15  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  8 16  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  1  0  0  0  0
 13 17  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
>  <NSC>
202716

>  <CAS_RN>
999-99-9

$$$$
202888
  Marvin  03121014323D          

 30 29  0  0  0  0            999 V2000
   -1.4783    1.6652    0.8987 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2870    0.6094    0.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7863    2.9653    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4176    1.6008    1.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9132   -0.5219   -0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7717    0.5740    1.5286 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5710    2.9922   -1.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2116    0.2126    2.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7867   -0.6860   -1.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9316    4.4248   -1.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2253    0.2642    3.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8582    3.5160    0.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3502    3.5314    1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4105    2.2473    1.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8209    2.0158    2.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8745   -0.4264   -0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9763   -1.4379    0.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9654    2.5236   -1.8014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5033    2.4316   -0.9245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7267   -0.1586    1.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5713   -0.4989    2.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5872   -1.6537   -1.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8513   -0.6392   -1.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5506    0.0980   -2.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4224    4.3873   -2.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6136    4.8885   -0.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0349    5.0408   -1.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7059   -0.7099    3.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9951    1.0140    3.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7129    0.5077    4.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
M  END
>  <NSC>
202888

>  <CAS_RN>
68506-60-5

$$$$
202978
  Marvin  03121014323D          

 12 11  0  0  1  0            999 V2000
   -0.8465    1.1956    0.0695 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4528    1.5534   -1.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2599   -0.1300    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1696    2.1322    0.4285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2580    3.1718   -1.3156 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1679   -1.5184    0.4496 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6251    1.2482    0.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2049    0.8138   -1.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6700    1.5640   -2.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6900   -0.2538   -0.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2808    3.0022    0.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5931    3.1022   -2.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  2  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
M  END
>  <NSC>
202978

>  <CAS_RN>
999-99-9

$$$$
202981
  Marvin  03121014323D          

 43 43  0  0  0  0            999 V2000
   -2.9610    0.7252   -2.0620 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6353    0.9007   -0.6250 P   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5572    0.2128   -3.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0453   -0.5442   -0.0662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5909    1.5573    0.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8467    1.7325   -0.6586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9302    0.3516   -3.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7292   -0.5165   -4.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9816   -1.5086    0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1882    2.9033    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4604   -0.2448   -4.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2613   -1.1233   -5.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6037   -2.9006    0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4129    3.5040    1.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6319   -0.9974   -5.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5363   -3.3779   -0.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9173    4.9445    0.9672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2885   -1.7488   -6.8786 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1554   -4.7698   -0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1384    5.5770    2.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0055    0.8937   -2.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5606    0.8882   -2.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7306   -0.6278   -3.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3576   -1.5838   -0.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3450   -1.2358    0.9204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0518    3.5499   -0.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414    2.8979   -0.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4533   -0.1273   -4.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6461   -1.6591   -5.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7973   -3.6283    0.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1728   -2.8518    1.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5576    2.8624    1.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0727    3.5214    2.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9736   -3.4151   -1.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3523   -2.6619   -0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7768    5.5817    0.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2665    4.9277    0.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3731   -5.5254   -0.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7537   -4.7610    0.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8032   -5.0392   -1.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1871    6.5798    1.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425    4.9787    2.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7741    5.6531    3.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 21  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  2  0  0  0  0
  8 23  1  0  0  0  0
  9 13  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 14  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 15  2  0  0  0  0
 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 13 16  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 17  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 20  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
M  END
>  <NSC>
202981

>  <CAS_RN>
999-99-9

$$$$
202983
  Marvin  03121014323D          

 27 28  0  0  1  0            999 V2000
   -2.3887    1.9360    3.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1145    2.2527    3.7003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3296    2.2965    4.0852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6701    1.2323    2.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6801    2.9454    4.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8683    0.6827    1.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0207    0.9568    1.6939 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4825    0.6079    1.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7819    0.1222    0.2495 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8278    1.0857    0.2895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4157   -0.5362    1.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0527    0.0104    0.0079 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
202983

>  <CAS_RN>
17310-94-0

$$$$
203345
  Marvin  03121014323D          

 32 32  0  0  0  0            999 V2000
   -1.9336    1.4257   -2.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
203345

>  <CAS_RN>
999-99-9

$$$$
203353
  Marvin  03121014323D          

 56 55  0  0  0  0            999 V2000
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M  END
>  <NSC>
203353

>  <CAS_RN>
999-99-9

$$$$
203357
  Marvin  03121014323D          

 32 31  0  0  1  0            999 V2000
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 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
M  END
>  <NSC>
203357

>  <CAS_RN>
74038-47-4

$$$$
203364
  Marvin  03121014323D          

 33 33  0  0  0  0            999 V2000
   -0.6568    0.2385   -1.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5349    1.3163   -1.0372 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
M  END
>  <NSC>
203364

>  <CAS_RN>
59486-99-6

$$$$
203383
  Marvin  03121014323D          

 34 34  0  0  1  0            999 V2000
    0.1307   -0.0669    0.1400 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5893   -0.9783    1.4183 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0505    1.0007    1.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
>  <NSC>
203383

>  <CAS_RN>
3813-69-2

$$$$
203444
  Marvin  03121014323D          

 26 25  0  0  0  0            999 V2000
    3.1798    0.3309   -0.8398 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9066   -0.2833   -0.5277 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1091   -0.7762   -1.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0579    1.5292   -1.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8377    0.8279    0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7547    0.3160   -0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6644   -1.3230   -2.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051   -0.5173    0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6499    1.5593    0.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6562   -2.0599   -2.8346 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3488   -1.0391   -3.8901 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2131    1.5686    0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1384   -1.1455    1.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
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  8 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <NSC>
203444

>  <CAS_RN>
999-99-9

$$$$
204739
  Marvin  03121014323D          

 40 41  0  0  0  0            999 V2000
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  -10.6745    1.5781    6.1176 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.8795    0.4309    3.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7050    4.4560    6.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2904   -0.2463    2.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7135   -0.5661    2.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8074    5.2575    5.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6209    4.6433    7.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6302    5.5971    6.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 33  1  0  0  0  0
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 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END
>  <NSC>
204739

>  <CAS_RN>
999-99-9

$$$$
204741
  Marvin  03121014323D          

 36 37  0  0  0  0            999 V2000
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M  END
>  <NSC>
204741

>  <CAS_RN>
999-99-9

$$$$
204749
  Marvin  03121014323D          

 40 41  0  0  0  0            999 V2000
   -3.7500   -4.0420   -3.3704 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875   -4.2312   -2.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
204749

>  <CAS_RN>
999-99-9

$$$$
204990
  Marvin  03121014323D          

 35 36  0  0  0  0            999 V2000
   -1.1058   -2.3000   -1.2406 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
204990

>  <CAS_RN>
23428-77-5

$$$$
204991
  Marvin  03121014323D          

 54 56  0  0  0  0            999 V2000
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M  END
>  <NSC>
204991

>  <CAS_RN>
999-99-9

$$$$
204992
  Marvin  03121014323D          

 54 56  0  0  0  0            999 V2000
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M  END
>  <NSC>
204992

>  <CAS_RN>
999-99-9

$$$$
205801
  Marvin  03121014323D          

 47 49  0  0  0  0            999 V2000
   -1.7224   -4.0934   -6.2881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6692   -5.2089   -7.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
205801

>  <CAS_RN>
999-99-9

$$$$
205831
  Marvin  03121014323D          

 35 36  0  0  0  0            999 V2000
    2.7940   -1.0994    0.5693 N   0  0  0  0  0  0  0  0  0  0  0  0
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 18 35  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
205831

>  <CAS_RN>
999-99-9

$$$$
205832
  Marvin  03121014323D          

 44 45  0  0  0  0            999 V2000
    6.9398    2.0928    1.8727 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7986    1.8963    1.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5730   -0.1061    2.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7356    0.5289    0.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5056    3.1557    4.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1832    0.9852    5.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0479   -0.9414    3.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7064    0.0942    1.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5192    0.5153   -0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 23 24  1  0  0  0  0
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 23 41  1  0  0  0  0
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 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
>  <NSC>
205832

>  <CAS_RN>
999-99-9

$$$$
205852
  Marvin  03121014323D          

 37 38  0  0  0  0            999 V2000
    0.0248    0.1338    1.8443 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0011    1.0334    1.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8648   -0.1342    0.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5623    1.8119    0.9226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4929    1.1944    3.0338 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8245   -1.4334    0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7971    0.8371    0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3935    1.7770   -0.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0912   -2.4918    0.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720   -1.7149   -0.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9536    2.1563    1.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6181    0.5200   -0.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4497    0.5854   -1.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2578   -0.2860   -3.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 22  1  0  0  0  0
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  4 23  1  0  0  0  0
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 21 37  1  0  0  0  0
M  END
>  <NSC>
205852

>  <CAS_RN>
999-99-9

$$$$
206273
  Marvin  03121014323D          

 18 18  0  0  1  0            999 V2000
   -1.6952    0.9743   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    0.5514   -0.5989 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5154    0.0950    0.7693 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8093   -0.3246    2.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7541    0.7517    1.2302 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1239    0.8258    3.0452 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4651    1.3880    2.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1951    0.3900    4.4007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062    2.8100   -0.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2950    0.0656    4.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
>  <NSC>
206273

>  <CAS_RN>
3398-22-9

$$$$
208726
  Marvin  03121014323D          

 28 29  0  0  0  0            999 V2000
    2.8815    1.4475   -2.6455 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7489    1.9668   -2.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1102   -3.1985    1.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4 17  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
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  7 11  1  0  0  0  0
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  8 19  1  0  0  0  0
  9 12  2  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
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 11 21  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 16  2  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
>  <NSC>
208726

>  <CAS_RN>
999-99-9

$$$$
209410
  Marvin  03121014323D          

 45 48  0  0  0  0            999 V2000
    5.7653    4.3781    7.4171 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9995    4.5250    6.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8397   -1.2765    0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 45  1  0  0  0  0
M  CHG  1  11   1
M  END
>  <NSC>
209410

>  <CAS_RN>
6681-15-8

$$$$
209871
  Marvin  03121014323D          

 44 47  0  0  1  0            999 V2000
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M  END
>  <NSC>
209871

>  <CAS_RN>
71711-46-1

$$$$
210528
  Marvin  03121014323D          

 36 37  0  0  0  0            999 V2000
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   -1.9123   -0.1666    3.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6943    2.0772   -1.3248 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8040    0.9203    3.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069   -0.5960    4.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8202   -1.4111   -0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7965   -2.4413    4.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2295    1.2112    2.9491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0382   -3.0564    5.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4688    0.5904    3.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3724   -2.4813    5.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9414   -1.0314    4.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 20  1  0  0  0  0
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  3  5  2  0  0  0  0
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 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
>  <NSC>
210528

>  <CAS_RN>
999-99-9

$$$$
210546
  Marvin  03121014323D          

 41 43  0  0  1  0            999 V2000
   -1.0089   -1.5482   -1.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7394   -1.0009    0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1224   -1.9422    0.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3886    0.5401   -2.5334 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4634   -3.0063    1.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5339   -1.8280    0.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9090    0.6460   -1.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0529   -1.7435   -1.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655    1.7023   -2.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3380   -2.7673    1.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9203   -2.8641    1.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0048   -4.8560    0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 24  1  0  0  0  0
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 20 23  2  0  0  0  0
 21 23  1  0  0  0  0
 21 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END
>  <NSC>
210546

>  <CAS_RN>
1931-04-0

$$$$
210565
  Marvin  03121014323D          

 34 35  0  0  0  0            999 V2000
    9.1525   -2.1635    0.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1030   -2.7445    0.1763 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3070   -2.9422    0.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0638   -0.7479    0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3122   -4.3444    0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4683   -2.3761    1.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9740    0.0731   -0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0224   -0.1260    1.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4126   -5.1426    1.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5771   -3.1709    1.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8540    1.4754   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8914    1.2762    1.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667   -4.5701    1.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6747   -5.3821    1.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7324   -4.8987    2.4406 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7776    4.2611   -1.0982 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5276   -1.3733    1.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7296   -0.3441   -0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3492   -0.6937    1.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3560   -6.1503    0.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3951   -2.7139    2.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5609    2.0236   -0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167    1.6911    1.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9327    3.7438    1.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4150   -7.2699    2.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
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  5 22  1  0  0  0  0
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 10 13  1  0  0  0  0
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 19 21  2  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
>  <NSC>
210565

>  <CAS_RN>
999-99-9

$$$$
210568
  Marvin  03121014323D          

 33 34  0  0  0  0            999 V2000
   -4.7065    1.5034    0.1901 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0027    0.3352    0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2928    2.8036    0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7130   -0.6727    0.3535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6278    0.1351   -0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2076    3.3253    0.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0537    3.7309   -0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034   -0.9279    0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9600    0.9406   -1.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9255    4.6522    0.8663 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1309    3.3537   -1.3078 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6649    5.5122    0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0373   -2.2633    0.6579 N   0  3  0  0  0  0  0  0  0  0  0  0
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    1.2395   -2.2507    1.0596 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5245   -0.5745   -1.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6698    1.3943    0.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6236    1.6278    1.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1936   -0.3859   -0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 22  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
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  6 10  1  0  0  0  0
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 10 25  1  0  0  0  0
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 18 21  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  CHG  2  17   1  20  -1
M  END
>  <NSC>
210568

>  <CAS_RN>
999-99-9

$$$$
210578
  Marvin  03121014323D          

 32 33  0  0  0  0            999 V2000
   -0.7705    0.3553    0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2822   -0.4192   -0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820    1.7558    0.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2218   -1.7798   -0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3610    2.5846    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9927    2.4005    0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2816   -2.5427   -0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3341    3.9911    0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0546    3.7911    1.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3086   -3.9405   -0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433    4.7410    0.3373 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9037    4.5734    0.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1833   -4.7923   -0.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -4.5588   -1.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4563    5.9012    0.4787 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689    4.2470    0.0070 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2669   -6.1876   -0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6290   -5.9474   -1.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378   -7.1164   -0.5232 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5005   -6.7699   -1.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736   -8.4403   -1.3594 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6354   -0.1164    0.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617    0.0096   -0.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -2.2162   -0.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2497    2.1689    0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8553    1.8637    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1447   -2.0642   -0.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9359    4.2376    1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800    5.5824    1.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7216   -4.4068   -0.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3797   -4.0019   -1.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5297   -6.3536   -1.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 22  1  0  0  0  0
  2  4  1  0  0  0  0
  2 23  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4 24  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  2  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 29  1  0  0  0  0
 13 17  1  0  0  0  0
 13 30  1  0  0  0  0
 14 18  2  0  0  0  0
 14 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  2  11   1  16  -1
M  END
>  <NSC>
210578

>  <CAS_RN>
15866-64-5

$$$$
210737
  Marvin  03121014323D          

 27 29  0  0  0  0            999 V2000
    2.0596   -0.9341   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3937   -1.1806   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    0.2206   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9336   -2.4729   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249   -0.3622   -0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1698    0.0228    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    1.5783   -0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3218   -2.3742   -0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3489   -3.7628    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6454    0.8771    0.0447 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6460   -1.0919   -0.1155 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0809    1.0929    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7536    2.5981   -0.0586 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1679   -3.4922   -0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1818   -4.9049    0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5831    2.4013   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5826   -4.7695   -0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5285   -1.7713   -0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5648   -0.9217    0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6117    1.8601   -0.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3371   -3.8901    0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5507   -0.7417   -0.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0878    0.9211    0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1799   -3.3753   -0.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7688   -5.8380    0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2163    3.2036   -0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1784   -5.6001   -0.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 19  1  0  0  0  0
  7 13  2  0  0  0  0
  7 20  1  0  0  0  0
  8 14  1  0  0  0  0
  8 11  1  0  0  0  0
  9 15  2  0  0  0  0
  9 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 16  2  0  0  0  0
 12 23  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
>  <NSC>
210737

>  <CAS_RN>
999-99-9

$$$$
210738
  Marvin  03121014323D          

 29 31  0  0  0  0            999 V2000
   -0.4632    2.3369   -0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8993    1.0785    0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546    2.7973   -0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2051    0.6312   -0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1771   -0.0418    0.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1824    3.9706    0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8922    2.1449   -0.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2116   -0.7476    0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4175    1.2937   -0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   -0.1010    0.7982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9729   -1.1246    0.4873 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2340    4.6802    1.2842 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5135    4.4311    0.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2213    2.6002   -0.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793   -1.5203    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6040    0.5352   -0.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5341    3.7383    0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5835   -0.8643   -0.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1444    3.0222   -0.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6884    1.3258   -1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4489    2.3053   -0.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6964   -2.0271    0.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1301    5.2896    0.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7469    5.2697    1.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9591    2.0974   -1.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3522   -2.5308    0.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4849    1.0011   -0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5028    4.0632    0.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4459   -1.4045   -0.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 20  1  0  0  0  0
  8 15  1  0  0  0  0
  8 11  1  0  0  0  0
  9 16  2  0  0  0  0
  9 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 17  2  0  0  0  0
 13 24  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  2  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
>  <NSC>
210738

>  <CAS_RN>
999-99-9

$$$$
210760
  Marvin  03121014323D          

114116  0  0  1  0            999 V2000
   -9.4227    0.4823    0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3174   -0.9596   -0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5445    1.0313    0.1693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3047    1.2324    0.2247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2707   -1.2682   -0.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7946   -1.2031   -1.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8103   -1.5111    0.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3709    2.1961    0.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6492    2.0381    0.4459 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8320    2.7134    0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4473    2.4705   -0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0766    2.3085    0.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8900    3.6693   -0.5906 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0048    3.7760    0.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7202    1.6709   -0.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3229    4.4423    1.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2585    4.4545   -0.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7140    0.2187   -0.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0127    2.3254   -2.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4663    3.8614    2.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3801    5.8285    1.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8225    3.7348   -1.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0515    5.8610   -0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4953    1.8147   -3.2009 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2349    2.5324    2.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8216    4.5839    3.7789 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7601    6.5476    0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0294    6.4851    2.4036 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2018    4.4208   -2.9010 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2342    6.4833   -1.2834 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3697    0.5902   -3.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8463    2.0868    2.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2741    1.7648    3.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6073    6.0052    3.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8336    8.0127    0.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8072    0.9028   -4.9916 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7068   -0.7999   -3.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4214    0.3348    3.8388 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4704   -1.6977   -3.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0111   -1.2511   -3.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1013   -0.4492    4.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9979    0.4291    5.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4957   -0.3752    2.8921 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3229   -2.5695   -3.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7901    0.1502    3.2291 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7319   -1.9414    2.7903 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4795   -3.1569   -3.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8579   -2.6915    4.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8657   -2.6980    1.7071 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7246   -4.6012   -3.6633 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5495   -2.1646    1.6397 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4256   -2.8354    0.2279 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7719   -5.0839   -4.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0213   -5.0854   -2.1976 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2028   -1.6858   -0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -4.1860   -0.0159 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9183   -6.5133   -2.1418 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3718   -4.5903   -1.5325 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7967   -1.0944   -1.4895 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2845   -1.3251    0.1928 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4544   -4.1192    0.6645 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5287   -5.6297   -1.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4191   -0.0212   -2.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1915    1.2313    0.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9475    2.7745    0.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0436    2.6142    1.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7369   -0.2003   -0.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4891   -0.2666   -1.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8925    0.0017    0.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1081    2.5209   -3.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8689    4.4704   -3.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
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 52100  1  0  0  0  0
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 63112  1  0  0  0  0
 63113  1  0  0  0  0
 63114  1  0  0  0  0
M  END
>  <NSC>
210760

>  <CAS_RN>
999-99-9

$$$$
210874
  Marvin  03121014323D          

 38 39  0  0  0  0            999 V2000
   -5.0827    4.9150   -3.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2799    4.9399   -1.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2053    5.9050   -3.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1723    3.8579   -1.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5241    5.5987   -2.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9945    7.2317   -3.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5020    3.9123   -0.6512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9433    4.2647   -2.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4804    6.5657   -2.8805 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7980    7.6603   -4.2365 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2  20   1  22  -1
M  END
>  <NSC>
210874

>  <CAS_RN>
15761-66-7

$$$$
210919
  Marvin  03121014323D          

 32 33  0  0  0  0            999 V2000
    4.6181   -4.4725    0.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2123   -4.3670    0.6811 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8366   -0.9305    0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9120   -8.4334    4.0862 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8909   -3.9764    1.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0529    2.2265   -0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 21  1  0  0  0  0
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  3  5  2  0  0  0  0
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  5 24  1  0  0  0  0
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  7 11  1  0  0  0  0
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  9 13  1  0  0  0  0
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 10 14  1  0  0  0  0
 10 28  1  0  0  0  0
 11 15  2  0  0  0  0
 11 29  1  0  0  0  0
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 13 16  2  0  0  0  0
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 14 31  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 32  1  0  0  0  0
M  CHG  2  13   1  17  -1
M  END
>  <NSC>
210919

>  <CAS_RN>
7377-11-9

$$$$
210940
  Marvin  03121014323D          

 37 40  0  0  1  0            999 V2000
    3.4452    1.1558    0.1619 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9117    1.2068   -1.2146 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1826    0.5087   -2.2486 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7635   -0.9061   -1.7855 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1903   -0.9840   -0.3160 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.9485    0.0983    1.8486 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
>  <NSC>
210940

>  <CAS_RN>
999-99-9

$$$$
211419
  Marvin  03121014323D          

 31 32  0  0  0  0            999 V2000
   -2.1386   -2.3079    1.8762 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1658   -2.7146    0.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
211419

>  <CAS_RN>
999-99-9

$$$$
211935
  Marvin  03121014323D          

 35 36  0  0  0  0            999 V2000
   -0.4407   -0.2826   -5.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
211935

>  <CAS_RN>
999-99-9

$$$$
211938
  Marvin  03121014323D          

 52 53  0  0  1  0            999 V2000
    4.7167   -2.1148    1.7492 C   0  0  1  0  0  0  0  0  0  0  0  0
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  4 31  1  0  0  0  0
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 25 27  2  0  0  0  0
 25 49  1  0  0  0  0
 26 28  2  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END
>  <NSC>
211938

>  <CAS_RN>
999-99-9

$$$$
215205
  Marvin  03121014323D          

 29 28  0  0  0  0            999 V2000
    1.9457   -0.6880   -1.1413 N   0  3  1  0  0  0  0  0  0  0  0  0
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   -0.0679    0.3900    0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5084    0.7217   -0.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
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  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
M  CHG  1   1   1
M  END
>  <NSC>
215205

>  <CAS_RN>
68-05-3

$$$$
215223
  Marvin  03121014323D          

 65 64  0  0  0  0            999 V2000
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   13.3654   -5.3549   -2.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  1  0  0  0  0
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 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 29 65  1  0  0  0  0
M  CHG  1  13   1
M  END
>  <NSC>
215223

>  <CAS_RN>
58226-73-6

$$$$
215224
  Marvin  03121014323D          

 77 78  0  0  0  0            999 V2000
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   -1.6391   -1.8079    2.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 76  1  0  0  0  0
 29 77  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <NSC>
215224

>  <CAS_RN>
999-99-9

$$$$
215225
  Marvin  03121014323D          

 76 76  0  0  0  0            999 V2000
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M  CHG  1   3   1
M  END
>  <NSC>
215225

>  <CAS_RN>
999-99-9

$$$$
215867
  Marvin  03121014323D          

 29 29  0  0  0  0            999 V2000
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 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END
>  <NSC>
215867

>  <CAS_RN>
56538-06-8

$$$$
216135
  Marvin  03121014323D          

 55 61  0  0  0  0            999 V2000
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 25 53  1  0  0  0  0
 26 27  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
M  END
>  <NSC>
216135

>  <CAS_RN>
37132-72-2

$$$$
216232
  Marvin  03121014323D          

 33 34  0  0  0  0            999 V2000
    1.8806    6.5315   -0.0800 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7516    5.2354    0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1960    4.9342    1.4434 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9416    2.9673   -0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5340    7.4642   -2.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 33  1  0  0  0  0
M  CHG  2  14   1  19  -1
M  END
>  <NSC>
216232

>  <CAS_RN>
999-99-9

$$$$
216238
  Marvin  03121014323D          

 42 43  0  0  0  0            999 V2000
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    1.4356   -5.9706    0.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433   -5.8837   -0.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1270    0.1551    0.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0529    0.1358   -0.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6469   -8.4200    0.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3738   -8.3509    0.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1904   -9.4014   -4.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5502  -12.2913   -2.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7143  -13.1294   -6.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3531  -14.4899   -3.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 31  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 32  1  0  0  0  0
  8 12  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 13  2  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 23 40  1  0  0  0  0
 25 27  2  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  CHG  4  15   1  18  -1  28   1  30  -1
M  END
>  <NSC>
216238

>  <CAS_RN>
999-99-9

$$$$
216315
  Marvin  03121014323D          

 37 38  0  0  0  0            999 V2000
    1.1099    2.3956   -0.0227 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9726    3.6972   -0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8234    1.3927   -0.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2748    4.2932   -1.6002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5082    4.4636    0.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2810    0.0780   -0.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178    1.6379   -1.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5328    3.7353   -2.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0768   -0.2506   -0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0467   -0.9478   -1.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8515    0.6146   -1.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573    2.6023   -3.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4863    4.3700   -3.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0505   -0.6029    1.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3178   -0.6811   -1.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1430    2.1091   -4.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7735    3.8756   -4.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1040    2.7389   -5.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3729    2.2519   -6.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2714    2.7455   -7.4653 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6648    1.2349   -7.2928 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6443    2.1521    0.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    5.2629   -1.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5358    2.5684   -1.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5043   -1.1010   -0.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7614    0.5874   -0.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6840   -1.9029   -1.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7757    0.8113   -2.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421    2.1349   -2.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9827    5.1998   -3.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0660   -0.8146    1.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3430    0.2269    1.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5666   -1.4883    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8566   -1.4280   -2.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6299    1.2865   -4.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4777    4.3628   -5.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8619    0.9320   -8.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 22  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 24  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 15  2  0  0  0  0
 10 27  1  0  0  0  0
 11 15  1  0  0  0  0
 11 28  1  0  0  0  0
 12 16  1  0  0  0  0
 12 29  1  0  0  0  0
 13 17  2  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
>  <NSC>
216315

>  <CAS_RN>
999-99-9

$$$$
216554
  Marvin  03121014323D          

 36 37  0  0  0  0            999 V2000
   -1.0956    0.7625    1.5130 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3504    0.4516    1.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0578    0.2628    0.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3745    1.0392    1.7782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5620   -0.3301    0.1398 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5901   -1.0079    1.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7649    1.0981    0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7013    0.7912    1.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0184   -1.8251    2.2352 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.8275   -1.4027    0.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9891    0.6823   -0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4700    1.6622    0.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3127   -0.3225    2.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5762   -2.5477    2.9352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2764   -1.8797    2.3797 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5327   -0.5780   -0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8435    1.4233    0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6888   -0.5595    2.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8185   -1.0018   -0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4634    0.3239    1.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8056    0.1235    1.0797 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5919    0.6716    2.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0117    1.3971    2.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3929    2.0176   -0.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2245   -2.3134    1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4831    1.3092   -1.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0290    2.4689    0.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7605   -0.9574    2.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3945    2.0554    0.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1253   -1.3689    2.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7228   -1.0350   -1.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1347   -1.9887   -0.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6001   -0.2868   -0.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6449    0.5692    1.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4175    0.1261    3.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3867    1.7341    2.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 23  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 24  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 10 25  1  0  0  0  0
 11 16  1  0  0  0  0
 11 26  1  0  0  0  0
 12 17  1  0  0  0  0
 12 27  1  0  0  0  0
 13 18  2  0  0  0  0
 13 28  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 29  1  0  0  0  0
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  CHG  2   9   1  15  -1
M  END
>  <NSC>
216554

>  <CAS_RN>
999-99-9

$$$$
216556
  Marvin  03121014323D          

 38 40  0  0  0  0            999 V2000
   -2.2302    1.9166    0.0464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4363    0.8087    0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8559    3.1917    0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2608    0.7943    0.7448 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8671   -0.2108   -0.5291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2259    3.9936   -0.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1286    3.7242    1.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5647   -0.2811    0.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8908    5.3369   -0.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7870    5.0550    1.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6545   -1.0585    2.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724   -0.5828   -0.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1745    5.8748    0.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2919    6.1588   -1.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1522   -0.8560    3.1001 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6273   -2.0950    2.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2891   -1.6439   -0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8465    7.2212    1.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0197    7.4993   -1.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0841   -1.2743    4.1658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2534   -0.2237    3.0322 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4393   -2.4036    0.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2539    8.0296    0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4244   -3.5063    1.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073    1.5978    1.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    3.5920   -1.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5785    3.1428    2.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9941    5.4193    2.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -0.0269   -1.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    5.7910   -2.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7447   -2.6521    2.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8523   -1.8507   -1.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0402    7.6248    2.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4425    8.0905   -1.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0232    9.0047    0.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9239   -3.6821    0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9274   -4.4324    1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1837   -3.2604    1.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 25  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  2  0  0  0  0
  7 27  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 29  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 30  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 16 31  1  0  0  0  0
 17 22  1  0  0  0  0
 17 32  1  0  0  0  0
 18 23  2  0  0  0  0
 18 33  1  0  0  0  0
 19 23  1  0  0  0  0
 19 34  1  0  0  0  0
 22 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  CHG  2  15   1  21  -1
M  END
>  <NSC>
216556

>  <CAS_RN>
999-99-9

$$$$
216795
  Marvin  03121014323D          

 45 47  0  0  0  0            999 V2000
    0.2713   -0.0773   -0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6781   -0.5645    0.5485 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5430    1.2984   -0.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9741   -1.7903    0.6785 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8681    1.8109   -0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5227    2.2331   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 26 45  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <NSC>
216795

>  <CAS_RN>
999-99-9

$$$$
216796
  Marvin  03121014323D          

 46 47  0  0  0  0            999 V2000
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 27 28  1  0  0  0  0
M  END
>  <NSC>
216796

>  <CAS_RN>
999-99-9

$$$$
216798
  Marvin  03121014323D          

 43 44  0  0  0  0            999 V2000
    0.0401    3.8411   -1.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0216    4.9099   -1.1409 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3907    1.4583   -2.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4797    0.1769   -1.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1462   -0.0201   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 43  1  0  0  0  0
M  END
>  <NSC>
216798

>  <CAS_RN>
999-99-9

$$$$
221150
  Marvin  03121014323D          

 40 40  0  0  0  0            999 V2000
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   -0.4763   -2.0306   -0.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6467    0.6287    0.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8131   -1.2331   -0.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
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  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
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  6  9  2  0  0  0  0
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 10 15  2  0  0  0  0
 10 27  1  0  0  0  0
 11 16  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
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 14 18  2  0  0  0  0
 14 32  1  0  0  0  0
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 15 33  1  0  0  0  0
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 16 35  1  0  0  0  0
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 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
M  END
>  <NSC>
221150

>  <CAS_RN>
7526-45-6

$$$$
221166
  Marvin  03121014323D          

 26 27  0  0  0  0            999 V2000
    3.1929    1.3457   -0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9051    3.5260   -0.7029 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8019    0.7920    0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2953   -0.8703    0.3171 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9685    4.1415   -1.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1313   -0.3886    0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0809   -1.4004    0.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 21  1  0  0  0  0
 12 13  2  0  0  0  0
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 13 15  1  0  0  0  0
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 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
>  <NSC>
221166

>  <CAS_RN>
32621-59-3

$$$$
221167
  Marvin  03121014323D          

 29 28  0  0  0  0            999 V2000
    3.2378   -3.9843    0.2458 N   0  0  1  0  0  0  0  0  0  0  0  0
    2.0147   -3.1743    0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8568   -1.7942   -0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
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  5  8  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
M  END
>  <NSC>
221167

>  <CAS_RN>
63224-19-1

$$$$
222974
  Marvin  03121014323D          

 21 22  0  0  0  0            999 V2000
   -0.3755   -2.4727    0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7844   -1.1010   -0.0634 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0298   -0.6255    0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2439   -1.2591    0.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4341   -0.0295   -0.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7347    1.1049   -0.3632 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1251    1.5577    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4026   -0.4687    0.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0159    0.0384    0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6746    0.8257   -1.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  9 11  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
>  <NSC>
222974

>  <CAS_RN>
2876-08-6

$$$$
223050
  Marvin  03121014323D          

 34 33  0  0  0  0            999 V2000
   -0.8062    0.9335   -0.3117 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4456    1.7919    0.8958 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8348    1.3762   -1.7370 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2595   -0.2885    0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9640    3.1922    0.3732 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2253    2.1937    1.8417 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0833    2.6354   -1.9225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3048    1.6853   -2.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2989    0.3139   -2.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2339   -0.7411    1.2546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0532    3.7224    1.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678    1.8099    3.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5380    5.0068    0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3151    3.0523    4.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1705   -0.9179   -0.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    2.9839   -2.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2323    3.4735   -1.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1130    2.3976   -1.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923    0.9297   -1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4009    1.6954   -3.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486    2.6625   -1.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9011   -0.5982   -2.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7420    0.0493   -2.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350    0.6917   -3.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7428    3.9708    2.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4855    1.1755    3.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2726    1.2383    3.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8720    4.7780   -0.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
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 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
>  <NSC>
223050

>  <CAS_RN>
999-99-9

$$$$
224227
  Marvin  03121014323D          

 20 20  0  0  1  0            999 V2000
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 10 20  1  0  0  0  0
M  END
>  <NSC>
224227

>  <CAS_RN>
35474-20-5

$$$$
226167
  Marvin  03121014323D          

 35 37  0  0  0  0            999 V2000
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 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END
>  <NSC>
226167

>  <CAS_RN>
999-99-9

$$$$
226173
  Marvin  03121014323D          

 83 87  0  0  1  0            999 V2000
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 31 82  1  0  0  0  0
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M  END
>  <NSC>
226173

>  <CAS_RN>
4657-58-3

$$$$
226835
  Marvin  03121014323D          

 57 59  0  0  1  0            999 V2000
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 30 31  1  0  0  0  0
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M  END
>  <NSC>
226835

>  <CAS_RN>
999-99-9

$$$$
226836
  Marvin  03121014323D          

 28 27  0  0  1  0            999 V2000
    1.3097    2.0573   -2.0552 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
226836

>  <CAS_RN>
3615-44-9

$$$$
226845
  Marvin  03121014323D          

 43 42  0  0  1  0            999 V2000
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 22 41  1  0  0  0  0
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 22 43  1  0  0  0  0
M  END
>  <NSC>
226845

>  <CAS_RN>
999-99-9

$$$$
226847
  Marvin  03121014323D          

 59 59  0  0  1  0            999 V2000
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 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
M  END
>  <NSC>
226847

>  <CAS_RN>
999-99-9

$$$$
227151
  Marvin  03121014323D          

 65 66  0  0  0  0            999 V2000
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M  END
>  <NSC>
227151

>  <CAS_RN>
999-99-9

$$$$
229625
  Marvin  03121014323D          

 16 15  0  0  1  0            999 V2000
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    3.2608   -2.3717    2.1128 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0222    1.0088    0.0237 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9054    0.5991    1.1509 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9422   -1.3588   -2.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9003   -1.3603   -0.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8267   -1.7917   -0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2475   -1.5387    2.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6155   -0.0170    1.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1240   -1.0510   -2.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7507   -1.5602   -2.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  4 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <NSC>
229625

>  <CAS_RN>
999-99-9

$$$$
230205
  Marvin  03121014323D          

 38 39  0  0  0  0            999 V2000
   -0.2209   -0.0479   -0.5981 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793    0.9641    0.1748 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9447   -0.5536   -1.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2937    1.6236    0.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368   -1.6035   -2.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845    0.0006   -0.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495    2.6880    1.4492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6710    1.3188    0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1891   -2.2477   -2.4894 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1841   -1.9776   -2.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923   -0.4067   -1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1772    3.1327    1.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -2.9024   -3.4562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2808   -2.2339   -1.8438 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4220   -1.3865   -2.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1031    4.3196    2.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5829   -1.7358   -2.9045 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1399    5.6286    2.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0255    4.1662    4.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6521   -2.5335   -3.7548 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7013   -1.2203   -2.5868 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1327    6.7534    3.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0199    5.2921    4.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0772    6.5858    4.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0547   -0.4616   -0.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2278    0.7261    0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7831    0.4658   -0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2218    1.1048    1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1214    2.1876   -0.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1933   -2.7140   -3.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2552    0.0322   -0.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137    2.3268    2.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7434    3.3824    0.9024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1870    5.7690    1.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0105    3.2314    4.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793    7.6936    2.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0142    5.1714    5.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0855    7.4029    5.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 25  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 26  1  0  0  0  0
  7 12  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 30  1  0  0  0  0
 11 15  1  0  0  0  0
 11 31  1  0  0  0  0
 12 16  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  2  0  0  0  0
 19 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  CHG  4   9   1  14  -1  17   1  21  -1
M  END
>  <NSC>
230205

>  <CAS_RN>
999-99-9

$$$$
230237
  Marvin  03121014323D          

 90 91  0  0  0  0            999 V2000
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  -10.3882    1.1654    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4427   -1.6437   -0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6186    0.4856   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6617   -0.9271   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9595   -1.6381   -0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9737    3.3732    0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3414   -1.5008    0.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
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  -13.2342   -1.7920   -1.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0792    3.2218   -3.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5063    4.1045   -4.2677 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4047    3.4823   -2.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7867    1.0833   -2.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8642    7.4835   -0.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2364   -2.5170   -0.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
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 49 86  1  0  0  0  0
 49 87  1  0  0  0  0
 50 88  1  0  0  0  0
 50 89  1  0  0  0  0
 50 90  1  0  0  0  0
M  CHG  1  36   1
M  END
>  <NSC>
230237

>  <CAS_RN>
999-99-9

$$$$
230243
  Marvin  03121014323D          

 80 80  0  0  0  0            999 V2000
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 25 28  1  0  0  0  0
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 37 38  1  0  0  0  0
 37 64  1  0  0  0  0
 37 65  1  0  0  0  0
 38 39  1  0  0  0  0
 38 66  1  0  0  0  0
 38 67  1  0  0  0  0
 39 40  1  0  0  0  0
 39 68  1  0  0  0  0
 39 69  1  0  0  0  0
 40 41  1  0  0  0  0
 40 70  1  0  0  0  0
 40 71  1  0  0  0  0
 41 42  1  0  0  0  0
 41 72  1  0  0  0  0
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 43 77  1  0  0  0  0
 44 78  1  0  0  0  0
 44 79  1  0  0  0  0
 44 80  1  0  0  0  0
M  CHG  1  28   1
M  END
>  <NSC>
230243

>  <CAS_RN>
999-99-9

$$$$
231618
  Marvin  03121014323D          

 37 39  0  0  0  0            999 V2000
    0.0768   -1.2651    0.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7470   -1.6040    1.3113 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5928    0.1426    0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9854   -2.2300    1.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2187   -1.3233    2.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2922    1.2301    0.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6009   -2.6765    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7055   -2.5287    2.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9147   -1.5967    3.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1772    2.5552    0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7464   -3.9190   -0.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
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 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <NSC>
231618

>  <CAS_RN>
999-99-9

$$$$
233018
  Marvin  03121014323D          

 40 43  0  0  1  0            999 V2000
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   -0.6670    1.1604    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 40  1  0  0  0  0
M  END
>  <NSC>
233018

>  <CAS_RN>
54934-22-4

$$$$
233903
  Marvin  03121014323D          

 37 39  0  0  0  0            999 V2000
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M  END
>  <NSC>
233903

>  <CAS_RN>
57963-39-0

$$$$
234025
  Marvin  03121014323D          

 30 32  0  0  0  0            999 V2000
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M  END
>  <NSC>
234025

>  <CAS_RN>
70178-15-3

$$$$
234160
  Marvin  03121014323D          

 70 74  0  0  1  0            999 V2000
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   -1.1411   -3.0771   -1.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7091   -6.6166    0.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3284   -1.0895    2.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3306   -2.3975    1.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6089    0.5430    0.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5165    2.3909    1.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6060    1.3597    2.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9094    1.6651    0.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3102    0.6842   -0.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156    0.4239   -1.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6733   -0.5698   -1.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  3  7  1  0  0  0  0
  3 39  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 40  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 41  1  0  0  0  0
  8 14  1  0  0  0  0
  8 42  1  0  0  0  0
  9 15  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 10 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 45  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 13  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 50  1  0  0  0  0
 17 23  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 19  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 24  1  0  0  0  0
 21 23  1  0  0  0  0
 21 58  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 59  1  0  0  0  0
 24 27  2  0  0  0  0
 24 25  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 33 35  1  0  0  0  0
 33 64  1  0  0  0  0
 34 36  1  0  0  0  0
 35 65  1  0  0  0  0
 35 66  1  0  0  0  0
 35 67  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 68  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
M  END
>  <NSC>
234160

>  <CAS_RN>
999-99-9

$$$$
234163
  Marvin  03121014323D          

 12 12  0  0  0  0            999 V2000
    1.1706   -0.1532   -0.0991 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3106    0.0826    0.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7315    0.7258    2.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9896   -0.2923    0.8059 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2113    0.9729    3.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8693   -0.0621    1.7508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5434    0.5680    2.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4951    0.8051    3.8410 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600   -1.0294    0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7046    1.0159    2.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    1.4449    3.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4766    0.0216    4.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <NSC>
234163

>  <CAS_RN>
63307-78-8

$$$$
234167
  Marvin  03121014323D          

 12 12  0  0  0  0            999 V2000
    1.1706   -0.1532   -0.0991 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3106    0.0826    0.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7315    0.7258    2.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9896   -0.2923    0.8059 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2113    0.9729    3.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8693   -0.0621    1.7508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5434    0.5680    2.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4951    0.8051    3.8410 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600   -1.0294    0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7046    1.0159    2.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    1.4449    3.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4766    0.0216    4.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <NSC>
234167

>  <CAS_RN>
999-99-9

$$$$
234182
  Marvin  03121014323D          

 27 28  0  0  0  0            999 V2000
   -0.4450    0.4154    0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2208   -0.6804    0.0195 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.6252   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1530   -1.9500    0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8891    1.9222   -0.4158 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    2.8809   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4597   -2.4037    0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8663   -2.9039   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7726    3.6741   -0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4183    3.9790   -0.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7376   -3.7832    0.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -4.2749    0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7620    4.5316   -0.7109 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.3323   -4.2453    0.9585 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7012   -4.7376    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    4.1719   -0.8623 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574    5.7834   -0.7522 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9507   -6.1938    0.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    0.4079    0.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4373    2.9947    0.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2161   -1.7282    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188   -2.6047   -0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0630    4.9368   -0.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3746   -4.9285   -0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7053   -6.5071   -0.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0501   -6.7827    0.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3063   -6.4229    1.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  8 12  2  0  0  0  0
  8 22  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  CHG  2  13   1  17  -1
M  END
>  <NSC>
234182

>  <CAS_RN>
999-99-9

$$$$
234183
  Marvin  03121014323D          

 38 40  0  0  0  0            999 V2000
   -0.2937    0.4163    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3873   -0.6735   -0.0561 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2744    1.6558   -0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0014   -1.9491    0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9576    2.0570   -0.4176 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4156    2.8731   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3383   -2.3609    0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9973   -2.9486   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7332    3.8000   -0.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3633    4.0209   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6598   -3.7170    0.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773   -4.3099    0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6670    4.7163   -0.7033 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6511   -4.6986    0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828    4.4160   -0.8660 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3854    5.9544   -0.7390 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9682   -6.0154    0.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447   -6.3445    2.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5336   -7.7368    2.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9069   -7.9939    2.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6443   -8.8342    2.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3821   -9.3126    2.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1204  -10.1542    2.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897  -10.3939    2.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2689    0.3894    0.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4237    2.9260    0.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966   -1.6811    0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9704   -2.6941   -0.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0523    4.9534   -0.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6311   -3.9871    0.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4119   -5.0188    0.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0620   -6.2474    2.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7283   -5.6678    2.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730   -7.2209    2.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3568   -8.6795    1.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3771   -9.4824    2.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4699  -10.9405    2.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8361  -11.3515    2.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 25  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  8 12  2  0  0  0  0
  8 28  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 29  1  0  0  0  0
 11 14  2  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 34  1  0  0  0  0
 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  CHG  2  13   1  16  -1
M  END
>  <NSC>
234183

>  <CAS_RN>
999-99-9

$$$$
237815
  Marvin  03121014323D          

 25 27  0  0  1  0            999 V2000
    1.2994   -0.0617    0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2256    1.5199    0.0998 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3209   -1.5751    0.2454 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0403   -0.0784    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9111   -1.2500   -0.0175 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7302    1.0542   -0.0128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3538   -0.6144   -0.0667 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7350   -2.2116   -1.2638 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0543    0.8180   -0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1246   -1.0914   -1.3576 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8513   -3.3179   -1.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340   -1.4377   -2.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9213    1.7205   -0.0202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2554   -0.8640   -2.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2774   -2.6481   -1.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7812   -1.8137    0.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9243   -0.8657    0.8338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2551   -2.6678   -1.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0960   -0.6017   -1.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7283   -3.8865   -0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7532   -4.0226   -2.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -1.3407   -3.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5497   -0.3201   -3.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8292   -2.8887   -0.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8533   -3.0385   -2.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 12 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
>  <NSC>
237815

>  <CAS_RN>
999-99-9

$$$$
237973
  Marvin  03121014323D          

 36 37  0  0  0  0            999 V2000
   -0.5139   -3.5084    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0587   -2.2890   -0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6230   -1.0629   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5468   -4.9323   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6567   -5.9357    0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8789   -1.1092    0.0208 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1365   -6.2146   -0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0767   -7.2162    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8361    3.5345   -0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8750   -5.2334   -1.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3470   -9.1015    2.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 21  1  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  2  0  0  0  0
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  5 23  1  0  0  0  0
  6 10  2  0  0  0  0
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 10 25  1  0  0  0  0
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 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
>  <NSC>
237973

>  <CAS_RN>
53744-27-7

$$$$
238127
  Marvin  03121014323D          

 43 44  0  0  0  0            999 V2000
   -7.9825   -0.0757   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4036   -0.0867   -0.1502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6221    0.9530   -0.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6108   -0.5875   -1.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6221   -0.5882    0.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6706    0.3851    0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0449   -2.7357    0.5454 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3611   -1.6044    1.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4502   -0.5410    1.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6210   -1.4978    1.6917 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9340    0.6229    2.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1451   -0.5678    0.9831 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0453   -0.3848    2.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1045    1.6834    2.1771 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2058    0.6710    2.4905 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2936    0.4810    1.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2943   -0.3358    2.8250 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8126    1.6568    1.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8487    0.8494   -0.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    0.7046   -2.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5288    0.6029   -2.8751 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0212   -0.7449   -2.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1640   -2.8470    0.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7109   -3.4376    0.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6079    0.4613    3.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8872   -1.0974    2.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2280    2.4830    1.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6594   -1.4061   -3.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -1.1438   -1.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10 13  2  0  0  0  0
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 13 15  1  0  0  0  0
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 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
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 19 34  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 23 25  2  0  0  0  0
 23 38  1  0  0  0  0
 24 26  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END
>  <NSC>
238127

>  <CAS_RN>
999-99-9

$$$$
238132
  Marvin  03121014323D          

 25 26  0  0  0  0            999 V2000
   -0.1693    4.2562    3.7088 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9324    4.3409    3.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1991    2.5915    3.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7410    4.9182    2.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7453    3.8274    4.6490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2842    2.0034    2.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    1.7843    4.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3894    5.5642    1.6081 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.0191    4.7044    3.0781 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3599    3.1768    5.8649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0086    4.0461    4.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0025    2.7131    1.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1805    5.8427    0.7963 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6961   -0.0705    2.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8972   -1.3751    2.3661 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    2.1622    4.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2290    2.8631    6.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7704    3.8583    6.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7598    2.2929    5.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8517    3.7606    4.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2152    2.0827    0.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3618   -1.7488    3.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 19  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 25  1  0  0  0  0
M  CHG  2   8   1  16  -1
M  END
>  <NSC>
238132

>  <CAS_RN>
999-99-9

$$$$
240487
  Marvin  03121014323D          

 32 33  0  0  1  0            999 V2000
   -0.6654   -2.9253    2.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1848   -2.6011    2.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3123   -4.4308    2.3918 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.2255   -4.6668    2.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9971   -4.9865    3.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9075   -5.2543    1.3925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5300   -0.5825    0.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6851   -0.3096    2.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7940   -4.6343    4.7645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9017   -5.9075    3.2200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8475   -6.0689    1.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0065    1.0506    2.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5626   -6.8451    1.2224 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5975   -3.1539    1.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6725   -4.1027    3.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862   -4.3339    1.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4623   -5.7260    2.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753   -5.2147    0.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3554   -1.1598   -0.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6248   -0.6863    3.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4996   -6.3784    3.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9100    1.1647   -0.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1802    1.6374    3.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6314    3.4486    2.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5241    3.2605    0.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  8 13  1  0  0  0  0
  8 26  1  0  0  0  0
  9 14  2  0  0  0  0
  9 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 16 17  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
>  <NSC>
240487

>  <CAS_RN>
999-99-9

$$$$
241076
  Marvin  03121014323D          

 54 56  0  0  0  0            999 V2000
   -4.5114    0.6637   -1.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7956   -0.0823   -1.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0926    0.9063    0.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8110   -1.4935   -1.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0302    0.6023   -1.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2956   -0.0399    0.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5179    2.0679    0.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0273   -2.1992   -1.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2461   -0.1048   -1.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9081    0.1856    2.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1296    2.2921    2.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2751   -1.5226   -1.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3191    1.3547    2.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4427   -2.1937   -1.1388 N   0  3  0  0  0  0  0  0  0  0  0  0
   -9.5097   -3.3609   -1.1393 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5728   -1.6114   -1.1394 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7403    0.1026   -1.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9332   -2.0185   -1.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1201    2.7549    0.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9932   -3.2224   -1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1167    0.4328   -1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3307   -0.5027    2.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4401    3.1350    2.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0327    1.5206    3.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8607   -0.0802    1.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7201    0.5589    0.7459 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9476   -0.4611    0.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5811   -0.1596    0.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8063    1.9479    0.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9950    0.4414    0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9567   -1.7381   -0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3927   -1.4617    0.4675 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5872    0.5281   -0.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8154    2.6116   -0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0343    0.0697   -0.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0026   -2.1148   -0.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3279   -1.9151    1.5408 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2147   -2.2501   -0.5141 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7052    1.9010   -0.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0455   -1.2137   -1.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2514    0.6063    2.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5453   -0.9554    2.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0105    1.3765    0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2028   -2.4042    0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7617    0.0305   -0.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9048    3.6098   -0.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7834    0.7314   -0.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0071   -3.0440   -1.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9824    2.3830   -1.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8115   -1.4902   -1.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  2  0  0  0  0
  5 20  1  0  0  0  0
  6 10  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  2  0  0  0  0
  7 22  1  0  0  0  0
  8 12  2  0  0  0  0
  8 23  1  0  0  0  0
  9 12  1  0  0  0  0
  9 24  1  0  0  0  0
 10 13  2  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 31 36  1  0  0  0  0
 32 37  2  0  0  0  0
 32 46  1  0  0  0  0
 33 38  1  0  0  0  0
 33 47  1  0  0  0  0
 34 39  2  0  0  0  0
 34 48  1  0  0  0  0
 35 40  2  0  0  0  0
 35 41  1  0  0  0  0
 36 42  2  0  0  0  0
 36 49  1  0  0  0  0
 37 42  1  0  0  0  0
 37 50  1  0  0  0  0
 38 43  2  0  0  0  0
 38 51  1  0  0  0  0
 39 43  1  0  0  0  0
 39 52  1  0  0  0  0
 42 53  1  0  0  0  0
 43 54  1  0  0  0  0
M  CHG  4  14   1  16  -1  35   1  41  -1
M  END
>  <NSC>
241076

>  <CAS_RN>
999-99-9

$$$$
241178
  Marvin  03121014323D          

 28 29  0  0  1  0            999 V2000
   -1.6889   -0.9588   -2.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9284   -2.3295   -2.9339 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9235   -1.1791   -0.5975 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5810   -1.3898    0.1981 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7789   -0.0089    0.0205 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1405   -0.0876    0.2102 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7958   -1.7300    1.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6253   -0.5375    1.0429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9176    1.1592    0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6202   -0.1527    0.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5943    0.6666    1.2598 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7994   -0.3575    2.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0725   -0.0750   -2.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6501   -0.8039   -2.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5071   -2.1023   -0.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0064   -2.1831   -0.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4593    0.4065   -0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0361   -2.3366    2.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7226   -2.2791    1.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2203    0.1981    1.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6537    1.8368   -0.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5001    1.7377    1.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0593   -0.7283   -0.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0415    0.8550    0.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103   -0.6133    1.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0372    1.5407    1.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0331   -0.3034    3.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7284   -0.1845    2.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  END
>  <NSC>
241178

>  <CAS_RN>
999-99-9

$$$$
241853
  Marvin  03121014323D          

 40 42  0  0  0  0            999 V2000
   -0.6373   -1.2140   -0.0405 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0586   -1.0358   -0.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0473    0.1369    0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2061   -1.9480   -1.3691 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4639   -2.0719    1.2719 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6478    1.3511   -0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4143    0.2491    0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5381   -0.9348   -2.8595 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5256   -2.5238   -1.4203 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0878   -1.1653    2.7363 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2913   -3.7001    1.2281 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0045    2.6000   -0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0561    1.4983    0.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4006   -1.6979   -4.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6137   -3.5795   -2.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969   -2.3763    4.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7399   -4.5389    2.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3493    2.6760    0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6107   -3.2182   -4.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2737   -3.5995    3.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4372   -1.9341   -0.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8203   -2.8421   -1.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5943   -2.2781    1.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6366    1.3476   -0.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9700   -0.5778    0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5236    3.4562   -0.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0392    1.5491    0.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676   -1.1973   -4.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1505   -1.5207   -5.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4384   -4.6113   -2.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6348   -3.5180   -3.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2337   -2.7075    4.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9318   -1.8609    5.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0777   -5.2163    2.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5765   -5.1454    3.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8186    3.5847    0.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542   -3.6876   -3.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9782   -3.6442   -4.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460   -3.2548    3.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2508   -4.1708    4.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7 13  2  0  0  0  0
  7 25  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 26  1  0  0  0  0
 13 18  1  0  0  0  0
 13 27  1  0  0  0  0
 14 19  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 19  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
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M  END
>  <NSC>
241853

>  <CAS_RN>
999-99-9

$$$$
244649
  Marvin  03121014323D          

 45 46  0  0  0  0            999 V2000
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M  END
>  <NSC>
244649

>  <CAS_RN>
999-99-9

$$$$
245116
  Marvin  03121014323D          

 28 29  0  0  0  0            999 V2000
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M  END
>  <NSC>
245116

>  <CAS_RN>
13556-55-3

$$$$
246116
  Marvin  03121014323D          

240253  0  0  1  0            999 V2000
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M  END
>  <NSC>
246116

>  <CAS_RN>
999-99-9

$$$$
247002
  Marvin  03121014323D          

 34 35  0  0  0  0            999 V2000
    4.2759    0.1387    1.8380 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0931   -0.8043    1.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9866    0.4953    1.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1929   -1.1908    2.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5592    1.8754    0.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
247002

>  <CAS_RN>
999-99-9

$$$$
247009
  Marvin  03121014323D          

 56 60  0  0  0  0            999 V2000
    4.1535   -2.4534    0.9134 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0850   -1.5463    0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1104    1.8343   -0.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4727    3.8651   -0.2962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5051    2.2667    0.4648 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
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 17 44  1  0  0  0  0
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 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  CHG  2  33   1  35  -1
M  END
>  <NSC>
247009

>  <CAS_RN>
999-99-9

$$$$
247057
  Marvin  03121014323D          

 31 33  0  0  0  0            999 V2000
   -0.4732   -3.5482   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0975   -2.3246   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1764   -4.7991    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5952   -1.0980   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -4.9777    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292   -5.9745   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8512   -1.1473   -0.0015 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0156    0.2125   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0633   -7.2644    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 22  1  0  0  0  0
  6 10  2  0  0  0  0
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  8 11  2  0  0  0  0
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 10 13  1  0  0  0  0
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 11 15  1  0  0  0  0
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 13 17  1  0  0  0  0
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 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
>  <NSC>
247057

>  <CAS_RN>
54619-91-9

$$$$
247058
  Marvin  03121014323D          

 28 29  0  0  0  0            999 V2000
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   -0.0999   -3.6560   -0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6314    2.6935    0.0374 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
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  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
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 10 15  2  0  0  0  0
 10 21  1  0  0  0  0
 12 15  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  1  0  0  0  0
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 14 17  2  0  0  0  0
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 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
>  <NSC>
247058

>  <CAS_RN>
81226-97-3

$$$$
248963
  Marvin  03121014323D          

 17 17  0  0  1  0            999 V2000
   -3.5156   -1.4396    0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852   -0.6995    0.9299 P   0  0  1  0  0  0  0  0  0  0  0  0
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   -3.6442   -1.2157   -0.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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  2  5  1  0  0  0  0
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  4 12  1  0  0  0  0
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  5 14  1  0  0  0  0
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  6  8  2  0  0  0  0
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  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
>  <NSC>
248963

>  <CAS_RN>
58311-83-4

$$$$
251637
  Marvin  03121014323D          

 49 51  0  0  1  0            999 V2000
    0.1849    1.4530    0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0485    0.0029   -0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3773    2.0314   -0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6013    3.5530   -0.0701 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.2726    4.2850    0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5281    3.7712    1.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8916    0.9151    0.7741 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8893   -0.3823    0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0753   -1.0851    0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4448   -1.1666    0.4237 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5174   -1.2324    0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 25  1  0  0  0  0
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  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5 26  1  0  0  0  0
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  7  9  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
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 11 14  2  0  0  0  0
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 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 17  1  0  0  0  0
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 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 20  2  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 21  1  0  0  0  0
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 20 22  1  0  0  0  0
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 22 24  1  0  0  0  0
 23 44  1  0  0  0  0
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 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END
>  <NSC>
251637

>  <CAS_RN>
999-99-9

$$$$
255226
  Marvin  03121014323D          

 19 20  0  0  0  0            999 V2000
   -0.7774   -1.2080   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0451   -1.3835    0.3595 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3131   -2.3896   -0.5212 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3570   -2.6792    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2604   -3.3194   -0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6851    1.2236    0.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3360    0.0427   -0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340    2.4314    0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0536    1.2532   -0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4023    2.4468    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  3 12  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
>  <NSC>
255226

>  <CAS_RN>
670-96-2

$$$$
255228
  Marvin  03121014323D          

 29 30  0  0  1  0            999 V2000
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M  END
>  <NSC>
255228

>  <CAS_RN>
999-99-9

$$$$
255523
  Marvin  03121014323D          

 50 53  0  0  1  0            999 V2000
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 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END
>  <NSC>
255523

>  <CAS_RN>
13484-66-7

$$$$
255950
  Marvin  03121014323D          

 56 59  0  0  1  0            999 V2000
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M  END
>  <NSC>
255950

>  <CAS_RN>
999-99-9

$$$$
255952
  Marvin  03121014323D          

 50 53  0  0  0  0            999 V2000
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M  END
>  <NSC>
255952

>  <CAS_RN>
999-99-9

$$$$
256409
  Marvin  03121014323D          

 24 25  0  0  0  0            999 V2000
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M  END
>  <NSC>
256409

>  <CAS_RN>
37944-48-2

$$$$
263606
  Marvin  03121014323D          

 46 49  0  0  0  0            999 V2000
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M  END
>  <NSC>
263606

>  <CAS_RN>
54923-40-9

$$$$
265903
  Marvin  03121014323D          

 26 25  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
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  1 10  1  0  0  0  0
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 20 26  1  0  0  0  0
M  END
>  <NSC>
265903

>  <CAS_RN>
69400-46-0

$$$$
265904
  Marvin  03121014323D          

 25 24  0  0  0  0            999 V2000
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 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
>  <NSC>
265904

>  <CAS_RN>
999-99-9

$$$$
266010
  Marvin  03121014323D          

 33 34  0  0  0  0            999 V2000
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 16 33  1  0  0  0  0
M  END
>  <NSC>
266010

>  <CAS_RN>
78996-70-0

$$$$
268641
  Marvin  03121014323D          

 68 71  0  0  1  0            999 V2000
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 33 66  1  0  0  0  0
 33 67  1  0  0  0  0
 33 68  1  0  0  0  0
M  END
>  <NSC>
268641

>  <CAS_RN>
54966-69-7

$$$$
268654
  Marvin  03121014323D          

 42 44  0  0  1  0            999 V2000
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M  END
>  <NSC>
268654

>  <CAS_RN>
999-99-9

$$$$
269117
  Marvin  03121014323D          

 33 35  0  0  0  0            999 V2000
   -2.6178   -2.6028   -0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6774   -1.4941   -0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
>  <NSC>
269117

>  <CAS_RN>
51167-48-7

$$$$
269195
  Marvin  03121014323D          

 26 26  0  0  0  0            999 V2000
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  1  2  2  0  0  0  0
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  1 17  1  0  0  0  0
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  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
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  9 12  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
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 13 15  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  CHG  2   4   1   8  -1
M  END
>  <NSC>
269195

>  <CAS_RN>
82040-74-2

$$$$
281793
  Marvin  03121014323D          

 29 31  0  0  0  0            999 V2000
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  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 13  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
>  <NSC>
281793

>  <CAS_RN>
64233-24-5

$$$$
286627
  Marvin  03121014323D          

 40 42  0  0  0  0            999 V2000
   -0.5125   -0.8106   -0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2868   -1.8131   -0.3006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8962   -1.0784   -0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0140    0.4844    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660   -1.8389   -0.2982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4220   -2.3243    0.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8248   -0.1206   -0.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    1.0973   -0.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3562    1.2206    1.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2800   -2.9968   -0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8026   -2.5958    0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2054   -0.3912   -0.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2930    2.4107   -0.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269    2.5285    1.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344   -2.8904   -0.4629 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6795   -4.0971   -0.4048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6951   -1.6286   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9516    3.1243    0.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840   -3.8601   -0.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9192   -3.4874   -0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3455   -5.1702   -1.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9822   -4.3899   -0.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4082   -6.0746   -1.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7269   -5.6845   -1.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8006   -3.0525    0.6099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5024    0.7875   -1.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0751    0.5989   -1.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9581    0.8090    1.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1574   -3.4963    0.5405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8530    0.3113   -1.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8839    2.8486   -1.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230    3.0469    2.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9783   -1.9912   -0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6979   -1.8250   -0.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    4.0748    0.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1308   -2.5486   -0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4071   -5.4838   -1.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9410   -4.1033   -0.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2215   -7.0151   -1.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4981   -6.3396   -1.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 25  1  0  0  0  0
  7 12  2  0  0  0  0
  7 26  1  0  0  0  0
  8 13  1  0  0  0  0
  8 27  1  0  0  0  0
  9 14  2  0  0  0  0
  9 28  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 11 29  1  0  0  0  0
 12 17  1  0  0  0  0
 12 30  1  0  0  0  0
 13 18  2  0  0  0  0
 13 31  1  0  0  0  0
 14 18  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  0  0  0  0
 15 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  2  0  0  0  0
 21 37  1  0  0  0  0
 22 24  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
>  <NSC>
286627

>  <CAS_RN>
25151-09-1

$$$$
289075
  Marvin  03121014323D          

 27 27  0  0  0  0            999 V2000
   -4.4610   -0.5517   -0.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9706   -0.8335   -1.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0152   -0.6209   -0.1567 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0461   -1.8148   -2.0720 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4463   -0.0928   -2.6231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2813   -0.6332    1.2485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5705   -1.8664   -0.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6553    0.5951   -0.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7614   -2.0945   -3.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3170   -2.5536   -1.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5028   -1.8593   -1.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5903    0.5539   -1.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0055   -0.6617   -2.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8531   -0.6797   -3.1032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1003    0.4423   -0.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0128   -1.2373    0.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2565   -0.6710    1.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2388   -2.7405   -0.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3789    1.4807   -0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810   -1.4163   -3.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6437   -1.9726   -4.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4179   -3.1196   -3.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5046   -3.1567   -1.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -1.8667   -0.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9962   -3.2283   -0.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8349   -2.7214   -2.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9870    1.4017   -1.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  2  0  0  0  0
  7 18  1  0  0  0  0
  8 12  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
289075

>  <CAS_RN>
999-99-9

$$$$
289332
  Marvin  03121014323D          

 32 33  0  0  0  0            999 V2000
    1.7870   -2.3999   -3.0671 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300   -1.3426   -2.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1611   -0.7181   -3.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222   -0.7573   -1.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8487    0.4909   -3.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2283   -1.2411   -5.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6824   -1.3267   -0.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1146    0.3998   -1.3972 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7849    0.9942   -2.3489 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5817    1.1557   -4.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596   -0.5805   -6.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2170   -0.8209   -0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6390    0.6187   -5.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9790   -1.1303   -7.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5670   -1.4335    0.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7959   -0.5962   -8.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2524   -1.2527    1.9138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6507   -2.1926    0.4343 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7355   -2.1095   -5.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1848   -1.0385    0.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7003   -2.4191   -0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2504    1.8203   -2.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0721    2.0289   -4.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2677   -1.0394   -1.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2092    0.2638   -0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1780    1.1127   -6.6222 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9150   -0.8773   -8.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9230   -2.2219   -7.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8253   -1.0334   -9.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8510    0.4910   -8.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8449   -0.8646   -7.9805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1743   -2.5944    1.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 19  1  0  0  0  0
  7 12  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 22  1  0  0  0  0
 10 13  2  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
>  <NSC>
289332

>  <CAS_RN>
55974-86-2

$$$$
290410
  Marvin  03121014323D          

 25 28  0  0  0  0            999 V2000
   -1.0145    0.7206   -1.6320 Pd  0  6  2  0  0  0  0  0  0  0  0  0
   -2.5692    2.2091   -1.5675 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7902    0.7345   -0.4575 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5939    0.3624   -3.5137 S   0  3  0  0  0  0  0  0  0  0  0  0
   -2.9431   -0.8444   -1.3365 S   0  3  0  0  0  0  0  0  0  0  0  0
   -3.7133    1.7422   -1.1003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813    0.8828   -1.1875 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9601    0.6691   -2.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0483    0.4164   -1.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6088    2.6940   -0.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9922    1.2248   -0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1916    0.7022   -3.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3314    0.0741   -0.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8606    2.3547   -0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1957    1.2740   -1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2898    0.9869   -2.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2213    1.0404   -0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3528    3.6555   -0.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9313    1.4359    0.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2915    0.5145   -4.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6210   -0.8778   -0.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5138    3.0557   -0.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0067    1.5210   -0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1829    0.9905   -2.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1549    0.7935   -0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  2  0  0  0  0
 11 19  1  0  0  0  0
 12 16  2  0  0  0  0
 12 20  1  0  0  0  0
 13 17  2  0  0  0  0
 13 21  1  0  0  0  0
 14 17  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  CHG  3   1  -2   4   1   5   1
M  END
>  <NSC>
290410

>  <CAS_RN>
82546-38-1

$$$$
290730
  Marvin  03121014323D          

 30 31  0  0  0  0            999 V2000
    0.0644   -0.0110   -0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4817   -1.5801    0.2453 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4832   -0.0552   -0.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1904   -1.4039    0.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5191   -0.2223    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2963   -0.3547    0.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7438   -0.2766    0.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6047   -0.3179    0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2477   -0.8468    3.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  2  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  9 12  2  0  0  0  0
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 10 12  1  0  0  0  0
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 11 13  2  0  0  0  0
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 14 28  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
>  <NSC>
290730

>  <CAS_RN>
999-99-9

$$$$
290737
  Marvin  03121014323D          

 27 28  0  0  0  0            999 V2000
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   -0.6389    2.3639    2.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1693   -2.9851    1.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2772   -1.0928    0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  2  0  0  0  0
  7 20  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  2  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
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 13 25  1  0  0  0  0
 14 17  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
>  <NSC>
290737

>  <CAS_RN>
999-99-9

$$$$
290739
  Marvin  03121014323D          

 20 21  0  0  0  0            999 V2000
    1.3902   -0.9870    1.7313 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6308   -1.1739    0.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0649   -0.4142   -0.4955 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5495   -2.2672    0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8854    0.9469    1.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
290739

>  <CAS_RN>
387-27-9

$$$$
292433
  Marvin  03121014323D          

 83 91  0  0  0  0            999 V2000
   -8.2663   -0.0007    0.1251 Cl  0  0  2  0  0  0  0  0  0  0  0  0
   -7.5961   -0.1095   -1.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4390    0.9442    1.0288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3332   -1.4070    0.7665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7887    0.6074   -0.0389 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2508   -0.0344   -0.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6812    0.1579    0.2214 Ni  0  6  1  0  0  0  0  0  0  0  0  0
    8.1965   -1.9329    0.2911 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.6346    0.7434   -1.8419 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2365    1.6242    0.9082 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.5952    0.0168    1.2379 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.0395   -2.9103   -0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4531   -2.3976   -0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4230   -3.5020    0.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2825   -2.3650    0.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3157    3.8649    2.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4055    4.8049    0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4184    0.4722    3.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8307   -1.9195    3.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7978   -6.6398   -0.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8975    1.2842   -5.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2711    0.7110    4.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6813   -1.6726    4.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9014   -0.3588    5.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6839    0.9439   -1.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4160    2.0731    1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2805    0.0318   -0.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3671   -2.6398    0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9155   -3.1018    1.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2764   -5.1875   -1.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6865   -2.8945    3.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7580   -6.0830    0.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5694    6.7358    0.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4392    1.6611    4.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1467   -2.4503    5.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1234   -7.8623   -0.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8256    1.3828   -7.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0320    6.9384    2.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5186   -0.1817    5.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  2  0  0  0  0
 13 52  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  2  0  0  0  0
 15 53  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  2  0  0  0  0
 17 54  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  2  0  0  0  0
 19 55  1  0  0  0  0
 20 32  2  0  0  0  0
 20 33  1  0  0  0  0
 21 30  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 32  1  0  0  0  0
 22 58  1  0  0  0  0
 23 34  2  0  0  0  0
 23 35  1  0  0  0  0
 24 27  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 34  1  0  0  0  0
 25 61  1  0  0  0  0
 26 36  2  0  0  0  0
 26 37  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 36  1  0  0  0  0
 28 64  1  0  0  0  0
 29 38  2  0  0  0  0
 29 39  1  0  0  0  0
 30 65  1  0  0  0  0
 30 66  1  0  0  0  0
 31 38  1  0  0  0  0
 31 67  1  0  0  0  0
 32 40  1  0  0  0  0
 33 41  2  0  0  0  0
 33 68  1  0  0  0  0
 34 42  1  0  0  0  0
 35 43  2  0  0  0  0
 35 69  1  0  0  0  0
 36 44  1  0  0  0  0
 37 45  2  0  0  0  0
 37 70  1  0  0  0  0
 38 46  1  0  0  0  0
 39 47  2  0  0  0  0
 39 71  1  0  0  0  0
 40 48  2  0  0  0  0
 40 72  1  0  0  0  0
 41 48  1  0  0  0  0
 41 73  1  0  0  0  0
 42 49  2  0  0  0  0
 42 74  1  0  0  0  0
 43 49  1  0  0  0  0
 43 75  1  0  0  0  0
 44 50  2  0  0  0  0
 44 76  1  0  0  0  0
 45 50  1  0  0  0  0
 45 77  1  0  0  0  0
 46 51  2  0  0  0  0
 46 78  1  0  0  0  0
 47 51  1  0  0  0  0
 47 79  1  0  0  0  0
 48 80  1  0  0  0  0
 49 81  1  0  0  0  0
 50 82  1  0  0  0  0
 51 83  1  0  0  0  0
M  CHG  5   7  -2   8   1   9   1  10   1  11   1
M  END
>  <NSC>
292433

>  <CAS_RN>
999-99-9

$$$$
292435
  Marvin  03121014323D          

 46 50  0  0  1  0            999 V2000
    1.0485    0.1671    1.0877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0262    0.1386    0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6722    1.3859   -0.0447 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6885   -1.1633    0.2147 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1403    1.4228   -0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1160    2.6901    0.0251 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0520    1.9020   -1.1712 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0615   -2.3861   -0.4123 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1697   -1.0705   -0.1254 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7148   -1.4325    1.1863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8585    2.7258   -0.4803 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7870    0.2326   -0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6288    4.0372   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5480   -2.0545   -1.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2240   -2.9159    0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8412    2.9623   -2.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310    3.8851    0.3234 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3692    2.7229    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8542    5.2717    0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0986    4.0954   -0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3232    5.1945    0.7453 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3939    4.9817    2.1565 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1231    2.6830    0.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6434   -3.2205   -0.4996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6211   -1.9138   -0.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7614    0.1964   -0.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1490    4.7269    0.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5149    4.4582   -1.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2852   -1.7053   -2.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9573   -2.9475   -2.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3169   -1.2784   -1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8772   -3.0981    1.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6023   -3.8559    0.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0529   -2.2080    0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8296    2.9497   -2.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4136    2.1851   -2.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2785    3.9213   -2.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1362    3.5968    1.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4144    2.3375    1.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9769    2.0584   -0.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3264    5.9984    0.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8368    5.6591   -0.7658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2459    4.4121   -1.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0917    3.9866    0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8064    6.1551    0.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9845    4.1059    2.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 25  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 26  1  0  0  0  0
 13 17  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END
>  <NSC>
292435

>  <CAS_RN>
999-99-9

$$$$
293067
  Marvin  03121014323D          

 38 40  0  0  1  0            999 V2000
    4.6433   -2.8713    2.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5191   -2.9006    0.7806 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6838   -1.4993    0.0422 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6257   -3.8653    0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0764   -3.4766    0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5097   -0.5477    0.4281 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1136   -0.8595    0.0588 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0744   -3.2879    0.1185 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8915   -2.4821    0.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -1.1574   -0.0709 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4187    0.7767   -0.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5527   -0.0889    1.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225   -1.8793   -0.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0885   -3.4747    1.7524 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3091   -0.0006   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1047    1.1212   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0179   -1.5541   -1.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0285   -0.0214    0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7068    2.3016   -0.2444 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6352   -2.5930    2.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9415   -2.1817    2.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411   -3.8604    2.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5372   -1.7100   -1.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6480   -4.8000    0.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3458   -4.1397   -0.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0361   -3.7630   -0.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8843   -4.3927    1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4996   -0.4220    1.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0964   -0.0900   -0.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6159   -3.9118   -0.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9709   -2.9320    0.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7569   -2.2922    1.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2431   -1.4082   -1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7331   -0.7457    2.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4799    0.4519    1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    0.6464    1.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5495    0.8212    0.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5248   -0.8800    0.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 23  1  0  0  0  0
  4  8  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  9  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 28  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 29  1  0  0  0  0
  8 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 15  1  0  0  0  0
 10 33  1  0  0  0  0
 11 16  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 16  1  0  0  0  0
 16 19  2  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END
>  <NSC>
293067

>  <CAS_RN>
999-99-9

$$$$
293104
  Marvin  03121014323D          

 42 43  0  0  1  0            999 V2000
   -0.1396    8.0234   -2.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0944    7.6216   -1.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4005    6.2599   -0.8294 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1417    8.4691   -0.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4235    6.3847    0.7323 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4935    5.1201   -1.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0314    9.7094   -0.1982 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4291    7.7965    0.9405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7650    5.9200    1.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0073    3.6602   -1.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8988    4.9443    2.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5934    2.9139   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2349    4.7777    2.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1733    4.0554    2.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309    2.7538    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    2.2267    0.9506 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0310    2.5646    2.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1061    0.7976    0.8130 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7238    0.3348   -0.2644 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7078   -0.6186    0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3293    8.9754   -2.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1275    7.3843   -3.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4217    6.0724   -1.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3603    5.9801    1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5286    5.2587   -1.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4941    5.2346   -2.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5945    6.4177    1.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1974    3.0643   -2.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970    3.6825   -1.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825    3.9871    3.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5411    5.7079    3.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9572    4.5341    2.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1660    4.3567    2.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2012    4.1154    3.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5264    3.1574   -0.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3157    2.4736    0.8013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6568    1.9673    3.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2333   -1.4827    0.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2587   -0.9541   -0.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -0.1698    0.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 23  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
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  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  9 11  2  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 17  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
>  <NSC>
293104

>  <CAS_RN>
71277-19-5

$$$$
294740
  Marvin  03121014323D          

 79 83  0  0  0  0            999 V2000
    5.7122    7.2191   -5.0738 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0605    6.4799   -6.0366 F   0  0  0  0  0  0  0  0  0  0  0  0
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 16 21  1  0  0  0  0
 16 19  1  0  0  0  0
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 18 23  2  0  0  0  0
 18 51  1  0  0  0  0
 20 24  2  0  0  0  0
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 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 22 28  2  0  0  0  0
 22 52  1  0  0  0  0
 23 28  1  0  0  0  0
 23 53  1  0  0  0  0
 24 29  1  0  0  0  0
 24 54  1  0  0  0  0
 25 30  2  0  0  0  0
 25 55  1  0  0  0  0
 26 31  1  0  0  0  0
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 27 32  2  0  0  0  0
 27 57  1  0  0  0  0
 28 33  1  0  0  0  0
 29 34  2  0  0  0  0
 29 58  1  0  0  0  0
 30 34  1  0  0  0  0
 30 59  1  0  0  0  0
 31 35  2  0  0  0  0
 31 60  1  0  0  0  0
 32 35  1  0  0  0  0
 32 61  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  1  0  0  0  0
 34 38  1  0  0  0  0
 35 39  1  0  0  0  0
 36 62  1  0  0  0  0
 36 63  1  0  0  0  0
 36 64  1  0  0  0  0
 37 65  1  0  0  0  0
 37 66  1  0  0  0  0
 37 67  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
 39 42  1  0  0  0  0
 39 43  1  0  0  0  0
 40 68  1  0  0  0  0
 40 69  1  0  0  0  0
 40 70  1  0  0  0  0
 41 71  1  0  0  0  0
 41 72  1  0  0  0  0
 41 73  1  0  0  0  0
 42 74  1  0  0  0  0
 42 75  1  0  0  0  0
 42 76  1  0  0  0  0
 43 77  1  0  0  0  0
 43 78  1  0  0  0  0
 43 79  1  0  0  0  0
M  END
>  <NSC>
294740

>  <CAS_RN>
63072-29-7

$$$$
294741
  Marvin  03121014323D          

 16 16  0  0  0  0            999 V2000
   -0.8167    2.3014   -0.4647 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7588    2.9747   -0.6200 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2915    2.9133   -0.4315 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9274    0.9801   -0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0377    0.0164   -0.3250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1209    0.4025   -0.0604 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4272    0.2247   -0.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580   -1.1702   -0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9159   -0.9057    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0127   -2.4631    0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168   -2.6828    0.2091 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    0.5443    0.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5462    0.9813   -1.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6509   -1.5875    0.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6362   -3.2648    0.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
>  <NSC>
294741

>  <CAS_RN>
39928-74-0

$$$$
294742
  Marvin  03121014323D          

 21 21  0  0  0  0            999 V2000
   -0.7456    0.2464   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0416    0.1727    0.0504 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0729    1.3659   -0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7288   -1.0370    0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7905    1.1898   -0.1038 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4358    1.4012   -0.3355 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3410    2.6859   -0.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3224    0.2682   -0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8214    2.6974   -0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7223    3.4700   -0.5856 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0442    3.2319   -0.6405 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1880    4.3722   -0.8535 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1166    2.5726   -0.5089 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2582   -0.6045    0.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6599   -0.8692    0.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1421   -1.7495    0.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9737   -1.4963   -0.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2948    3.0424   -0.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6454    0.1658    0.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8522   -0.6620   -0.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1978    0.3672   -0.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  4   2   1   5  -1  11   1  13  -1
M  END
>  <NSC>
294742

>  <CAS_RN>
40647-30-1

$$$$
294744
  Marvin  03121014323D          

 23 23  0  0  0  0            999 V2000
   -0.4602    0.1653   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9263   -1.0650    0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9520    1.4189    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   -2.0992   -0.2980 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.0910   -1.3358    1.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2366    2.5613    0.3954 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2847    1.7707    0.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4469   -2.7060    0.3790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4492   -2.4696   -1.5004 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1971    2.7080    0.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1130    3.5646    0.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3638    3.0699    0.6917 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8695    4.8546    0.9261 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7218    5.5836    1.2517 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2780    5.3777    0.8075 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3566    0.1936   -0.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1344   -2.3845    1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0656   -0.7345    1.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0050   -1.1271    0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0974    1.1628    0.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5728    3.0843    1.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7234    1.7774    0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4613    3.4116   -0.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  4   4   1   9  -1  13   1  15  -1
M  END
>  <NSC>
294744

>  <CAS_RN>
999-99-9

$$$$
295471
  Marvin  03121014323D          

 32 33  0  0  1  0            999 V2000
    1.9477    0.5696    1.0727 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9697    0.0639   -0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4533   -0.3529    2.0727 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6408    1.0718   -1.2589 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2233   -1.5855    2.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4600    0.3649    3.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0850    1.4441   -0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6440    0.5165   -2.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565   -2.1285    3.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3525   -0.6639    4.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3789   -1.7169    4.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7378   -3.1298    3.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9807   -2.2825    5.5396 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3377   -3.6908    4.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9403   -3.2406    5.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9410   -0.1214   -0.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5269   -0.8769   -0.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4143   -0.6083    1.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6293    1.0732    3.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3896    0.9287    3.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830    1.9132    0.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5239    2.1520   -1.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7195    0.5565   -0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6273    0.2974   -3.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0730    1.2499   -3.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2329   -0.4013   -2.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3644   -1.1312    4.5988 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0238   -3.4441    2.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0593   -4.4076    4.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3706   -3.6288    6.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 30  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
>  <NSC>
295471

>  <CAS_RN>
59801-39-7

$$$$
295721
  Marvin  03121014323D          

 40 42  0  0  0  0            999 V2000
   -3.7987    8.2195   -2.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9929    7.9039   -2.2181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8557    7.2320   -2.1647 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5825    9.5592   -2.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0092    5.9816   -1.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6009    7.3779   -2.4473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6835   10.4613   -3.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3323   10.0724   -3.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    5.3592   -1.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7599    5.3399   -1.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930    6.2721   -2.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5281   11.7595   -3.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2205   11.3813   -3.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3649    4.1320   -1.2873 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5452    6.1373   -2.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3115   12.1781   -3.9831 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0623    3.2246   -0.8521 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6599    2.0272   -0.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3124    1.5858   -0.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    1.1599    0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0676    0.3011   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3004   -0.1123    0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3486   -0.1180   -0.0177 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9607   -0.5340    0.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2279    0.5427   -0.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7053   -1.2673    0.3970 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.6201   10.1902   -2.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4742    9.5320   -3.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7667    4.8305   -1.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9105    6.0975   -0.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0183    4.6545   -0.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3281   12.3901   -3.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3190   11.7375   -4.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7960    5.1008   -2.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8231    6.7538   -3.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1081    6.4649   -1.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4046    2.2149   -0.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6336    1.4481    0.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241   -0.7307    0.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7434   -1.4668    0.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 27  1  0  0  0  0
  8 13  2  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 32  1  0  0  0  0
 13 16  1  0  0  0  0
 13 33  1  0  0  0  0
 14 17  2  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
 20 38  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 40  1  0  0  0  0
M  CHG  2  23   1  26  -1
M  END
>  <NSC>
295721

>  <CAS_RN>
75304-69-7

$$$$
297333
  Marvin  03121014323D          

 29 30  0  0  1  0            999 V2000
   -0.8676   -1.1503    0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.7806    1.5172 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0602    0.0983   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6082   -0.9563    2.4904 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -3.1099    1.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6904    1.3555   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3519    0.0563    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0758    0.2007    2.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8581   -1.4968    2.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6473   -3.0088    2.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0701    2.5365   -0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1122    1.2388    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7027    0.9381    3.7907 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4724    2.4790   -0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8901   -0.9573   -0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4406   -1.8804   -0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0710   -1.9955    1.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0973   -3.9860    1.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828   -3.2110    0.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7099    1.4211   -0.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8349   -0.8365    0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    0.4934    2.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6617   -1.1534    2.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -1.2480    3.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1244   -3.4028    3.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5942   -3.5408    2.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3963    3.4387   -0.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1318    1.1978    0.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0256    3.3376   -0.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 11  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  2  0  0  0  0
  7 21  1  0  0  0  0
  8 13  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 14  2  0  0  0  0
 11 27  1  0  0  0  0
 12 14  1  0  0  0  0
 12 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
>  <NSC>
297333

>  <CAS_RN>
82589-48-8

$$$$
297374
  Marvin  03121014323D          

 34 36  0  0  0  0            999 V2000
    5.8954    4.0986    0.4294 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622    3.3888    0.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0562    3.3195   -0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0391    2.5780    0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1845    3.2762   -1.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1702    1.7578   -0.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1469    4.0175   -2.3575 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3338    2.4449   -2.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3252    1.6890   -1.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1518    1.0038    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6839    5.3285   -2.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 34  1  0  0  0  0
M  END
>  <NSC>
297374

>  <CAS_RN>
69504-69-4

$$$$
297915
  Marvin  03121014323D          

 25 27  0  0  0  0            999 V2000
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 16 24  1  0  0  0  0
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M  END
>  <NSC>
297915

>  <CAS_RN>
61335-18-0

$$$$
297922
  Marvin  03121014323D          

 32 33  0  0  0  0            999 V2000
    1.2979   -0.7168   -0.4595 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
297922

>  <CAS_RN>
64803-02-7

$$$$
298362
  Marvin  03121014323D          

 42 43  0  0  1  0            999 V2000
   -1.4377   -1.9013   -1.5753 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
>  <NSC>
298362

>  <CAS_RN>
64872-85-1

$$$$
298378
  Marvin  03121014323D          

 34 34  0  0  0  0            999 V2000
    1.1436   -1.4195    0.0590 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1427   -2.4467    0.4251 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3514    0.2750    0.3905 S   0  3  2  0  0  0  0  0  0  0  0  0
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    2.1357   -3.6822   -0.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586   -2.9855    1.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5982   -1.8656    0.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1946    0.4776    2.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0777    1.2114   -0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1328   -2.2505    0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1073   -2.9591   -0.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2435   -1.7852   -3.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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 10 12  1  0  0  0  0
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 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <NSC>
298378

>  <CAS_RN>
35347-10-5

$$$$
299239
  Marvin  03121014323D          

 31 32  0  0  0  0            999 V2000
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  6 10  2  0  0  0  0
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 11 13  1  0  0  0  0
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 17 28  1  0  0  0  0
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 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
>  <NSC>
299239

>  <CAS_RN>
64620-98-0

$$$$
299584
  Marvin  03121014323D          

 35 35  0  0  1  0            999 V2000
    2.8032    2.5873   -0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6992    2.5431   -1.7759 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.0801    3.6493   -2.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 19  1  0  0  0  0
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 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END
>  <NSC>
299584

>  <CAS_RN>
69587-03-7

$$$$
299841
  Marvin  03121014323D          

 20 25  0  0  1  0            999 V2000
   -4.5669   -2.2657   -2.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1811   -2.2564   -0.2684 Mo  0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6345   -0.8208    2.5255 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
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 10  3  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  2  0  0  0  0
 20 17  2  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
299841

>  <CAS_RN>
26998-42-5

$$$$
299845
  Marvin  03121014323D          

 69 74  0  0  0  0            999 V2000
    3.1092   -0.9104    6.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0525   -1.4351    5.3114 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.4414    1.4899    4.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0847    1.2451    2.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
299845

>  <CAS_RN>
999-99-9

$$$$
299851
  Marvin  03121014323D          

 47 49  0  0  0  0            999 V2000
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M  END
>  <NSC>
299851

>  <CAS_RN>
64394-98-5

$$$$
299915
  Marvin  03121014323D          

 88 91  0  0  1  0            999 V2000
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 46 88  1  0  0  0  0
M  END
>  <NSC>
299915

>  <CAS_RN>
999-99-9

$$$$
299917
  Marvin  03121014323D          

 68 69  0  0  1  0            999 V2000
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M  END
>  <NSC>
299917

>  <CAS_RN>
999-99-9

$$$$
301675
  Marvin  03121014323D          

 47 47  0  0  1  0            999 V2000
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   -4.5237   -2.0395   -4.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8104   -0.2936   -4.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0980   -0.8072    1.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1455   -3.1916   -4.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2425   -1.4822   -4.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0985    0.9627    0.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0211   -0.1345    3.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5186    0.7807    2.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3385    1.8112    2.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1930    2.6980    1.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9949   -1.9682    1.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3696    3.5026    0.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0611   -2.1595    4.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6063   -1.2892    4.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5075   -2.8850    3.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6319   -0.3844    1.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7096   -0.7589    0.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4698   -2.0598    1.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 32  1  0  0  0  0
 10 13  2  0  0  0  0
 10 11  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
M  CHG  2   3   1   5  -2
M  END
>  <NSC>
301675

>  <CAS_RN>
999-99-9

$$$$
301691
  Marvin  03121014323D          

 43 48  0  0  0  0            999 V2000
    0.0104    6.1638    4.9526 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5899    6.9157    4.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4050    5.0709    3.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9317    5.6949    2.1897 S   0  3  0  0  0  0  0  0  0  0  0  0
   -0.3260    3.7758    3.9498 N   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4802    3.3706    1.2424 Cu  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7122    2.8963    3.1320 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.9388    3.7280   -0.7731 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7618    1.2210    1.3276 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.5723    3.9311    1.3432 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8052    3.1131    0.1233 S   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6195    1.6410    3.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1111    4.2029   -0.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1077    3.4937   -1.6993 N   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1361    0.7426    2.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3641    0.3860    0.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9759    4.3409    0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4078    3.9786    2.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1277    3.0872   -1.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0405   -0.6534    2.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3158   -1.0077    0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2694    4.8851   -0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7101    4.4918    2.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1066    2.5255   -2.7424 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6402   -1.5271    1.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1370    4.9523    1.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3451    0.7477   -2.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8652    7.6877    5.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3681    6.1521    4.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4819    7.3665    3.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1900    1.3135    4.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3998    4.4600   -1.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8511    0.7785   -0.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0778    3.6463    3.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5520   -1.0371    3.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7633   -1.6354   -0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5860    5.2243   -0.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3365    4.5313    3.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5915   -2.5384    1.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0792    5.3302    0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9428    0.3119   -3.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8599    0.6067   -1.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3741    0.2527   -2.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 15  1  0  0  0  0
 12 31  1  0  0  0  0
 13 17  1  0  0  0  0
 13 32  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 16 33  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 18 34  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  2  0  0  0  0
 20 35  1  0  0  0  0
 21 25  1  0  0  0  0
 21 36  1  0  0  0  0
 22 26  2  0  0  0  0
 22 37  1  0  0  0  0
 23 26  1  0  0  0  0
 23 38  1  0  0  0  0
 24 27  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  CHG  8   4   1   5  -1   6  -5   7   1   8   1   9   1  10   1  11   1
M  CHG  1  14  -1
M  END
>  <NSC>
301691

>  <CAS_RN>
999-99-9

$$$$
301743
  Marvin  03121014323D          

 35 35  0  0  1  0            999 V2000
   -1.3585    0.5567   -2.1503 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1008   -0.8604   -1.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4313    0.9984   -3.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4304    1.6080   -0.8646 P   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3038   -1.9539   -2.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7092    2.3760   -3.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9026    2.9376   -1.2723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4317    1.0324    0.3107 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0355    1.7098   -0.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3441   -3.5754   -2.0851 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1111    2.5422   -5.4675 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3352    1.7925    1.5832 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0936    2.4193    1.0326 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2931    1.1514    2.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682    1.8252    2.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5628    2.3598    1.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7930   -1.1234   -0.8884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0842   -0.9534   -1.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5099    0.2725   -4.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056    0.9828   -2.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2426   -1.7803   -3.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4835   -1.9361   -3.4969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3502    3.1819   -3.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7796    2.5018   -4.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3907    1.1254   -0.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6796    2.8214    1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1534    3.4771    0.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9887    0.1285    2.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2965    1.7328    3.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3103    1.1311    2.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5498    0.8076    2.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8205    2.4329    3.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862    2.9182    2.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2201    2.7955    0.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8662    1.3249    1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  8 12  1  0  0  0  0
  8 25  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 13 16  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END
>  <NSC>
301743

>  <CAS_RN>
999-99-9

$$$$
302002
  Marvin  03121014323D          

 23 23  0  0  0  0            999 V2000
   -0.9661   -1.9539    1.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1157   -1.1137    0.0328 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9677   -2.0400   -1.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2213    0.0317   -0.0051 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1528   -0.0091    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1922    0.0763    1.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1253    0.0582   -1.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0741    1.1215    0.0090 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0991   -0.0311   -0.0038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8262    2.0994    1.4601 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8158    2.1359   -1.4149 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8447   -2.5871    1.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0872   -2.6005    1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517   -1.3270    2.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0856   -2.6769   -1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8563   -1.4759   -2.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8444   -2.6838   -1.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8410    0.9532    1.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8209   -0.8159    1.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6657    0.1251    2.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7739    0.9376   -1.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7556   -0.8329   -1.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5471    0.0938   -2.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <NSC>
302002

>  <CAS_RN>
66239-90-5

$$$$
302036
  Marvin  03121014323D          

 67 72  0  0  1  0            999 V2000
   -4.4801    4.8650    1.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8908    3.6178    2.3788 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5312    3.0898    1.6939 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9221    2.4143    2.4551 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7212    4.0816    3.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5758    4.0683    1.0114 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
302036

>  <CAS_RN>
10410-83-0

$$$$
303264
  Marvin  03121014323D          

 29 31  0  0  1  0            999 V2000
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M  END
>  <NSC>
303264

>  <CAS_RN>
999-99-9

$$$$
303573
  Marvin  03121014323D          

 33 34  0  0  1  0            999 V2000
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 18 33  1  0  0  0  0
M  END
>  <NSC>
303573

>  <CAS_RN>
64686-53-9

$$$$
304105
  Marvin  03121014323D          

 36 36  0  0  1  0            999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
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  3  6  1  0  0  0  0
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  5 21  1  0  0  0  0
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  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 23  1  0  0  0  0
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 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END
>  <NSC>
304105

>  <CAS_RN>
999-99-9

$$$$
305345
  Marvin  03121014323D          

 37 39  0  0  0  0            999 V2000
   -1.1664   -2.0857    5.9124 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -1.8367    5.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3327   -1.5213    7.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4554   -2.1634    3.7137 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0075   -1.2406    5.2895 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2840   -1.1898    8.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6635   -1.2331    7.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4306   -1.8901    2.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9102   -0.9820    4.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5581   -0.5067    9.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9378   -0.5536    8.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -2.2038    1.0496 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0814    0.3421   10.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3603   -0.2324    0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 23  1  0  0  0  0
  2  4  2  0  0  0  0
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  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
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 17 18  2  0  0  0  0
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 19 21  2  0  0  0  0
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 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
>  <NSC>
305345

>  <CAS_RN>
20931-81-1

$$$$
305460
  Marvin  03121014323D          

 30 32  0  0  1  0            999 V2000
   -3.2387    4.1850    1.3062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3803    3.8710    0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3073    3.3536   -0.7827 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5452    3.9443   -0.5532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7433    2.0150   -0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2301    4.4607   -0.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3629    3.5235   -1.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3465    1.7069   -0.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6356    1.0152    0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0700    3.8923   -1.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2491    3.4570   -2.6852 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470    0.4407    0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5880    2.7144   -1.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1681   -0.2286    0.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4523    0.0722    0.0219 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7974   -0.5019    0.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3472    0.8207    0.0117 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8274   -1.1435    0.0818 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.3857    4.2516   -0.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7154    2.8368   -2.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8350    4.8026   -0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    1.1826    0.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4469    3.5443   -2.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726    4.6711   -2.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2437    2.2199   -1.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8297   -0.9329    0.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4982   -1.4164    0.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
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 10 15  2  0  0  0  0
 10 24  1  0  0  0  0
 11 14  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 13 16  1  0  0  0  0
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 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 30  1  0  0  0  0
M  CHG  2  16   1  19  -1
M  END
>  <NSC>
305460

>  <CAS_RN>
999-99-9

$$$$
306109
  Marvin  03121014323D          

 76 80  0  0  1  0            999 V2000
   -8.6669   -0.1769   -0.0351 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2095   -0.6542    0.2380 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -6.4270    0.2705    1.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.6161    2.1893   -0.2559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8660    1.0496   -2.1664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8033    0.5485    2.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2779    0.8204    0.6266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1929   -0.0265    0.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.3753   -1.9704   -0.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7486    1.4073    1.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3872    1.2310    1.6197 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    0.0878    1.6223 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0099    0.3994    1.6871 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.5519    1.4494    0.6086 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3375    0.9328    2.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4266   -1.0154    1.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1237   -1.3213    0.1069 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1011   -0.0929   -0.9819 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7855    0.9188   -0.8767 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2843    1.9127    1.1071 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2663    1.7411    2.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5493    0.6258    4.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4900   -0.5954   -1.0875 N   0  3  2  0  0  0  0  0  0  0  0  0
    9.2924    1.2165   -1.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8098   -1.0403   -2.1964 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3180    2.6736    0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3676    2.2527    3.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6434    1.1321    5.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9767   -0.7733   -1.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2332   -1.1334   -2.3277 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5145   -0.6768   -3.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5575    1.9385    4.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8572    0.7081    6.9872 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3437   -2.1989   -1.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9231   -2.4946   -2.6385 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0402   -0.4302   -3.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081   -2.1740   -0.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2666    1.6432    2.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8301   -0.5031    2.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2650   -1.6638    0.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1529    2.3605    0.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2986   -0.9706    1.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8220   -1.7498    2.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1162   -2.4080   -0.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1669    0.1264   -0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1944    1.5258   -1.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
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 44 76  1  0  0  0  0
M  CHG  1  30   1
M  END
>  <NSC>
306109

>  <CAS_RN>
79731-87-6

$$$$
306391
  Marvin  03121014323D          

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 93 94  2  0  0  0  0
 93114  1  0  0  0  0
 94115  1  0  0  0  0
M  CHG  1  10   1
M  END
>  <NSC>
306391

>  <CAS_RN>
74352-04-8

$$$$
306392
  Marvin  03121014323D          

 89 94  0  0  0  0            999 V2000
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M  END
>  <NSC>
306392

>  <CAS_RN>
67935-93-7

$$$$
307136
  Marvin  03121014323D          

 30 31  0  0  1  0            999 V2000
    2.9171   -1.0899   -2.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
307136

>  <CAS_RN>
999-99-9

$$$$
308336
  Marvin  03121014323D          

 48 50  0  0  1  0            999 V2000
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 27 48  1  0  0  0  0
M  END
>  <NSC>
308336

>  <CAS_RN>
999-99-9

$$$$
308598
  Marvin  03121014323D          

 25 25  0  0  1  0            999 V2000
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M  END
>  <NSC>
308598

>  <CAS_RN>
999-99-9

$$$$
308782
  Marvin  03121014323D          

 28 27  0  0  0  0            999 V2000
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 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
>  <NSC>
308782

>  <CAS_RN>
37886-90-1

$$$$
308797
  Marvin  03121014323D          

 80 81  0  0  0  0            999 V2000
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M  END
>  <NSC>
308797

>  <CAS_RN>
999-99-9

$$$$
308805
  Marvin  03121014323D          

 44 47  0  0  0  0            999 V2000
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M  END
>  <NSC>
308805

>  <CAS_RN>
999-99-9

$$$$
308806
  Marvin  03121014323D          

 28 30  0  0  0  0            999 V2000
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M  END
>  <NSC>
308806

>  <CAS_RN>
56105-29-4

$$$$
308807
  Marvin  03121014323D          

 38 38  0  0  0  0            999 V2000
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 20 38  1  0  0  0  0
M  END
>  <NSC>
308807

>  <CAS_RN>
34759-04-1

$$$$
308811
  Marvin  03121014323D          

 44 47  0  0  0  0            999 V2000
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 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END
>  <NSC>
308811

>  <CAS_RN>
999-99-9

$$$$
308818
  Marvin  03121014323D          

 39 38  0  0  0  0            999 V2000
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M  END
>  <NSC>
308818

>  <CAS_RN>
999-99-9

$$$$
308835
  Marvin  03121014323D          

 68 73  0  0  0  0            999 V2000
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M  END
>  <NSC>
308835

>  <CAS_RN>
78045-48-4

$$$$
308837
  Marvin  03121014323D          

 74 79  0  0  0  0            999 V2000
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M  END
>  <NSC>
308837

>  <CAS_RN>
78045-49-5

$$$$
308840
  Marvin  03121014323D          

 51 54  0  0  0  0            999 V2000
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M  END
>  <NSC>
308840

>  <CAS_RN>
71471-52-8

$$$$
308845
  Marvin  03121014323D          

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M  END
>  <NSC>
308845

>  <CAS_RN>
69408-98-6

$$$$
308877
  Marvin  03121014323D          

148154  0  0  1  0            999 V2000
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 66148  1  0  0  0  0
M  END
>  <NSC>
308877

>  <CAS_RN>
52286-59-6

$$$$
308897
  Marvin  03121014323D          

 49 54  0  0  1  0            999 V2000
    0.2229   -0.7103    0.2877 Pt  0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4506   -0.2409    2.1817 O   0  3  0  0  0  0  0  0  0  0  0  0
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 27 49  1  0  0  0  0
M  CHG  3   1  -4   6   1   7   1
M  END
>  <NSC>
308897

>  <CAS_RN>
999-99-9

$$$$
308922
  Marvin  03121014323D          

 44 44  0  0  1  0            999 V2000
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   -5.9691   -0.6180    3.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7344    2.2332   -0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
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 13 35  1  0  0  0  0
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 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
M  END
>  <NSC>
308922

>  <CAS_RN>
71190-94-8

$$$$
308928
  Marvin  03121014323D          

 33 34  0  0  1  0            999 V2000
    0.9646   -1.1461   -2.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
308928

>  <CAS_RN>
999-99-9

$$$$
308933
  Marvin  03121014323D          

 34 35  0  0  0  0            999 V2000
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 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
>  <NSC>
308933

>  <CAS_RN>
73355-58-5

$$$$
309084
  Marvin  03121014323D          

 36 37  0  0  0  0            999 V2000
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   -0.2295   -3.2469   -0.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
309084

>  <CAS_RN>
91860-15-0

$$$$
309104
  Marvin  03121014323D          

 30 30  0  0  0  0            999 V2000
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M  END
>  <NSC>
309104

>  <CAS_RN>
999-99-9

$$$$
309417
  Marvin  03121014323D          

 40 40  0  0  0  0            999 V2000
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M  END
>  <NSC>
309417

>  <CAS_RN>
34677-78-6

$$$$
