
 OpenBabel04291915393D

 40 40  0  0  1  0  0  0  0  0999 V2000
    5.2290    1.6249   -3.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6418    0.2447   -4.2405 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0063    0.2758   -5.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8526   -0.1746   -3.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -1.3683   -3.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5224   -1.7483   -1.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9073   -2.9420   -1.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0073   -3.7558   -3.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526    0.6392   -1.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1181   -3.3614   -0.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -4.7416   -1.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6559   -5.7359   -1.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2785   -5.1716    0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7387   -0.7247   -4.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5210   -1.9301   -4.3895 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0207   -0.2662   -4.7818 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2981   -1.3933   -5.0502 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5025   -2.2386   -3.7962 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9374   -2.3013   -6.2225 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8242   -0.4967   -5.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4370    2.3249   -3.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988    1.9277   -4.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8645    1.5938   -3.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3144   -1.9937   -3.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455   -1.1229   -1.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8469   -4.6046   -3.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9130    1.4880   -1.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3261   -2.6614   -0.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7536   -3.3925    0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1046   -4.7105   -1.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2914   -5.7670   -0.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2257   -5.4331   -2.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2426   -6.7075   -1.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3570   -5.2027    1.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6919   -6.1432    0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705   -4.4717    0.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1953    0.7005   -4.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6809    0.0960   -6.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -1.1960   -5.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0771    0.1400   -4.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  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  3  1  6  0  0  0
  2 14  1  0  0  0  0
  2  1  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 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 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 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 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 20  1  0  0  0  0
 17 19  2  0  0  0  0
 17 18  2  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
M  END
>  <SKU>
A12383

>  <Product Name>
Reparixin

>  <CAS>
266359-83-5

>  <M.Wt>
283.38644

>  <Formula>
C14H21NO3S

>  <Synonyms>
DF 1681Y; Repertaxin

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

$$$$
