
 OpenBabel04291915413D

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.9698    0.0496    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3127    0.0496    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9842   -0.5545   -0.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3271   -0.5545   -0.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9986   -1.1585   -1.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3271   -1.7625   -2.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9842   -1.7625   -2.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3127   -1.1585   -1.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698   -1.1585   -1.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2984    0.6536    1.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0838   -1.9555   -3.2176 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4525   -1.3064   -4.5486 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4525   -3.4360   -3.2543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6466   -1.7885   -2.9428 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859   -2.3907   -3.9336 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8781   -2.9234   -4.8101 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9844   -2.3907   -3.9336 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2973   -1.1585   -1.9062 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9467   -1.7427   -2.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3329   -2.2948   -3.7759 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2896   -1.7427   -2.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9034   -2.2948   -3.7759 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9765    0.0297    0.0487 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4538   -0.4146   -0.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287    0.5138    0.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431   -2.2267   -3.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0622    1.1559    1.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8930   -2.2224   -2.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1566   -2.2473   -3.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7896   -0.7157   -1.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8552    0.5372    0.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 10  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5 18  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7 15  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 12  2  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 31  1  0  0  0  0
M  CHG  2  15   1  17  -1
M  END
>  <SKU>
A13109

>  <Product Name>
NBQX

>  <CAS>
118876-58-7

>  <M.Wt>
336.28012

>  <Formula>
C12H8N4O6S

>  <Synonyms>
N/A

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

$$$$
