
 OpenBabel04291915403D

 41 44  0  0  1  0  0  0  0  0999 V2000
   -6.0804   -0.6114   -3.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8386   -0.5213   -3.2691 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0244   -1.5330   -3.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8619   -1.4486   -2.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5413   -0.3181   -1.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5391    0.5348   -2.6617 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9566   -2.5734   -2.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7941   -2.4891   -1.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4845   -1.3962   -1.2710 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6397   -1.3146   -0.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4822   -2.3603   -0.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447   -2.2759    0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -3.5004   -1.8852 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2784   -4.5561   -2.4935 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990   -1.5277   -2.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9775   -1.1007    0.7341 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2772   -0.8631   -0.6341 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1595   -0.1120    0.0670 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2287   -0.1473    0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7089    1.1352   -0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8100    1.1852   -0.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2606    2.4324   -1.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7295    2.4808   -1.4803 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6244   -0.0757    1.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1630   -1.5778   -4.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1111    0.1413   -4.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8933   -0.4650   -3.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2707   -2.4017   -3.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7494    0.0164   -1.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4527   -0.7294   -2.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8298   -1.0389    1.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3599   -0.3341    0.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856    1.1096   -1.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0841    2.0034   -0.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1867    1.2108    0.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853    0.3170   -1.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8839    2.4069   -2.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8854    3.3006   -0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2697    2.0141   -2.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1757    0.4857    2.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4480   -0.8851    2.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 24  1  0  0  0  0
 18 19  1  1  0  0  0
 18 10  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
>  <SKU>
A12703

>  <Product Name>
SCH900776 (S-isomer)

>  <CAS>
891494-64-7

>  <M.Wt>
376.25432

>  <Formula>
C15H18BrN7

>  <Synonyms>
SCH-900776; SCH 900776

>  <URL>
https://www.adooq.com/sch900776-s-isomer.html

$$$$
