
 OpenBabel04291915343D

 40 42  0  0  0  0  0  0  0  0999 V2000
    4.1045   -4.4418   -1.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635   -3.2187   -1.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0350   -2.1099   -0.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635   -1.0016   -0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0350    0.1072    0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3779    0.1077    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0206   -3.2192   -1.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3130    1.2990    0.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9844    2.4078    0.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3130    3.5161    1.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0142    3.5156    1.1156 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0142    1.2985    0.4123 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3160    0.1455    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0270    0.1450    0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6984   -0.9638   -0.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0413   -0.9643   -0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7128    0.1441    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9874   -0.9628   -0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9273   -2.4273   -0.7636 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5601   -2.8132   -2.1937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5572   -3.5667    0.1817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6577   -2.1214   -0.6645 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0539    4.7397    1.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    4.4788    2.5570 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8173    5.1355    0.4868 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1897    5.7030    1.8081 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1565   -4.2550   -1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8450   -4.7125   -2.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8470   -5.2409   -0.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0670   -2.1095   -0.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3315   -1.0019   -0.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3275    0.4932    0.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -3.6046   -1.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0164    2.4081    0.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5430    0.9967    0.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1824   -1.8155   -0.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    0.7351    0.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8122   -1.5538   -0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9031   -1.8635    0.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1677   -2.9635   -0.9310 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  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4 31  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 23  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 22  1  0  0  0  0
 19 21  2  0  0  0  0
 19 20  2  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 26  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <SKU>
A10193

>  <Product Name>
Celecoxib

>  <CAS>
169590-42-5

>  <M.Wt>
381.3721696

>  <Formula>
C17H14F3N3O2S

>  <Synonyms>
Celebrex, Celebra

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

$$$$
