
 OpenBabel04291915423D

 51 55  0  0  0  0  0  0  0  0999 V2000
   21.3079    2.6364    0.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5979    3.8482    0.6857 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2018    3.5930    0.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8326    2.5954    1.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5426    1.3836    1.5155 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8367    3.0202   -0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4608    4.8577    0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1179    4.8581    0.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3769    3.5938    0.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4465    6.0041    1.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1035    6.0045    1.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2848    6.2636    1.1030 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.4321    7.1506    1.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1303    5.9586    1.0442 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5648    5.9582    1.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0715    4.5459    0.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4915    4.5455    0.8059 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9648    3.2261    0.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4131    4.7346    0.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1333    7.1509    1.2467 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4840    8.2593    1.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0400    8.2597    1.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3685    9.4057    1.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0698    9.4061    1.6315 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4204   10.5144    1.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1186   11.7058    2.0310 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1217   10.5148    1.8207 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3685    7.1140    1.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0958    7.1121    1.2467 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3599    2.8288    0.5117 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0509    2.2332   -0.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0480    1.9342    1.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7806    2.4031    1.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0896    2.9986    2.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5048    3.1232   -1.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0077    3.0941   -1.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0722    2.7923    0.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7632    3.6876   -0.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7603    3.3886    1.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9200    6.3065    1.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9230    6.6038    0.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7163    4.1976   -0.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7134    3.9003    1.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4036    2.6502    1.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5996    2.7123   -0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8367    4.6681   -0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6460    4.3322    1.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8845   10.2861    1.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031   11.7055    2.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6264   12.5460    2.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4876    6.1040    1.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  2  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
 13 20  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  2  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  2  0  0  0  0
 25 27  1  0  0  0  0
 25 26  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  2  0  0  0  0
 28 51  1  0  0  0  0
M  END
>  <SKU>
A13992

>  <Product Name>
GNE-317

>  <CAS>
1394076-92-6

>  <M.Wt>
414.48138

>  <Formula>
C19H22N6O3S

>  <Synonyms>
GNE317, GNE 317

>  <URL>
https://www.adooq.com/gne-317.html

$$$$
