
 OpenBabel04291915413D

 50 52  0  0  1  0  0  0  0  0999 V2000
    2.9054   -1.2465   -1.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6751   -0.2001   -0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6523    2.8252    2.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6151    1.8667    1.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657    1.3079    1.2805 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4218    0.1454    0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2987   -0.5018   -0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5232   -1.5205   -1.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7764   -1.8660   -1.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9851   -2.8142   -2.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9406   -3.4168   -3.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2670   -0.3570   -0.3553 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9291   -1.2009   -1.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -0.1638   -0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0802   -0.8280   -0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750   -0.2585   -0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5184   -0.9174   -0.9102 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7706   -0.3667   -0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9528   -1.0479   -1.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2476   -0.4785   -0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4299   -1.1597   -1.1552 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.6923   -0.6045   -0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6568    0.5518    0.0812 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7602   -1.1853   -0.7835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3912   -2.2116   -0.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4652   -2.3625   -0.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9643   -1.6056   -1.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4533   -2.0563   -0.7852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4649   -0.8330   -2.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6638    3.5620    3.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942    1.4801    1.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482   -3.0796   -3.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5698   -4.1049   -4.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724   -0.4798   -0.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5242   -0.7103   -1.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5229   -1.9325   -0.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0880    0.5643    0.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0416   -1.8799   -0.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0397   -0.6566   -1.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4137    0.7933   -0.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4156   -0.4300    0.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8093    0.6852   -0.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8112   -0.5381    0.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9141   -2.0998   -0.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9123   -0.8765   -2.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2863    0.5734   -0.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2882   -0.6499    0.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8417    0.9952    0.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1288   -2.6770    0.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9027   -3.1167   -1.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  6  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 14  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  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
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  1  0  0  0
 22 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  END
>  <SKU>
A13198

>  <Product Name>
Tiagabine

>  <CAS>
115103-54-3

>  <M.Wt>
375.548

>  <Formula>
C20H25NO2S2

>  <Synonyms>
Gabitril, NO050328, NO328, TGB

>  <URL>
https://www.adooq.com/tiagabine.html

$$$$
