
 OpenBabel04291915413D

 63 64  0  0  1  0  0  0  0  0999 V2000
   17.8942    1.7493   -1.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6005    1.4686   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9069    1.3933    0.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7396    2.5856    0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4420    2.5150   -0.2536 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7865    3.2974    0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9129    1.1116   -0.0068 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9753    0.9907   -0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7210    0.8976    1.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0909   -0.7735    1.7797 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8672   -1.0229    3.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4049   -2.1985    3.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2354   -2.3875    5.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7731   -3.5630    5.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2264    0.1877    4.5786 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.8828    0.1193   -0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4361   -0.9099   -1.0255 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2629    0.3241   -0.4674 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0961   -0.5990   -0.9517 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7324    2.6754   -1.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1481    1.6954   -2.3094 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5565    3.8906   -2.3632 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8614    3.9937   -3.7611 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8934    3.7595   -3.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9952    3.0188   -4.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2650    1.6374   -4.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6094    0.6036   -4.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8539   -0.6482   -4.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1983   -1.6820   -4.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4428   -2.9338   -4.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1651    1.4194   -3.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5916    5.3752   -4.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1718    6.2166   -3.4358 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8151    5.7197   -5.5597 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5539    7.0569   -6.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9746    1.8023   -2.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5002    0.9630   -1.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4146    2.6801   -1.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0801    0.5378    0.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4272    2.3242    0.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5129    0.6071    0.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7001    1.1958    1.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2139    3.5346    0.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5789    2.4768    1.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0207    1.6141    1.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6586    1.0186    1.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1800   -2.9566    3.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4603   -1.6293    5.9574 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4163   -4.4771    6.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6212    1.1494   -0.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5840   -1.3428   -1.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2231    4.6764   -1.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2227    3.0958   -5.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9632    3.2530   -4.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9178    0.7711   -5.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5456   -0.8157   -3.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5067   -1.5144   -5.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3454   -3.9607   -4.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8275    1.8950   -2.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1518    5.0449   -6.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1966    7.6449   -5.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8143    7.0355   -6.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4561    7.4876   -6.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 39  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  0  0  0  0
  3 42  1  0  0  0  0
  4 43  1  0  0  0  0
  4 44  1  0  0  0  0
  5  6  1  1  0  0  0
  5 20  1  0  0  0  0
  5  4  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  6  0  0  0
  7 16  1  0  0  0  0
  7  5  1  0  0  0  0
  9 10  1  0  0  0  0
  9 45  1  0  0  0  0
  9 46  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  2  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
 14 49  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 22  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 52  1  0  0  0  0
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 23 25  1  0  0  0  0
 23 24  1  6  0  0  0
 25 26  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 55  1  0  0  0  0
 28 29  2  0  0  0  0
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 29 57  1  0  0  0  0
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 30 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 34  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
 34 60  1  0  0  0  0
 35 61  1  0  0  0  0
 35 62  1  0  0  0  0
 35 63  1  0  0  0  0
M  END
>  <SKU>
A12985

>  <Product Name>
Batimastat (BB-94)

>  <CAS>
130370-60-4

>  <M.Wt>
477.63994

>  <Formula>
C23H31N3O4S2

>  <Synonyms>
BB 94

>  <URL>
https://www.adooq.com/batimastat-bb-94.html

$$$$
