
 OpenBabel04291915403D

 57 61  0  0  0  0  0  0  0  0999 V2000
   13.8677  -26.2082   15.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2674  -25.0107   15.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3844  -26.1234   15.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7507  -25.0955   15.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1702  -23.9373   14.3629 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4140  -24.0355   14.4255 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9519  -25.3209   13.7451 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9562  -24.0375   15.8812 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7142  -22.6394   13.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3806  -22.5032   13.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8502  -21.4451   12.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5165  -21.3089   12.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7133  -22.2307   13.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5175  -21.7176   13.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9650  -20.2086   12.1353 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5781  -20.0669   12.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0652  -19.0437   11.4393 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7755  -18.9119   11.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451  -17.8539   10.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0886  -17.7176   10.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8013  -20.9584   12.5902 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6401  -16.6174    9.9891 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0647  -16.4719    9.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3997  -15.2007    9.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9092  -15.0465    9.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2359  -13.8070    8.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5591  -11.1234    6.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5455  -11.9037    7.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8279  -11.5608    6.9597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8143  -12.3411    7.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5183  -13.4642    8.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1025  -11.9967    7.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5437  -27.1095   15.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5467  -26.2097   16.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0923  -24.1057   14.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9827  -26.7006   14.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2705  -26.0227   16.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4297  -25.0969   16.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4267  -25.9967   14.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4762  -23.9359   13.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7633  -23.2115   13.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4675  -20.7367   12.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8214  -22.6750   13.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4093  -21.2733   12.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5539  -19.5328   11.7282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582  -19.6203   11.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8624  -17.1455   10.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4766  -16.4151   10.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4796  -17.3149    9.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9878  -15.2574    8.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9848  -14.3576    9.6534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3211  -14.9897   10.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3241  -15.8895    8.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3180  -12.7667    7.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0553  -10.6978    6.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2763  -14.0638    8.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7907  -12.5412    7.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  6  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  2  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  2  0  0  0  0
 11 42  1  0  0  0  0
 12 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 54  1  0  0  0  0
 29 30  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
M  END
>  <SKU>
A12876

>  <Product Name>
Pyrintegrin

>  <CAS>
1228445-38-2

>  <M.Wt>
451.5413

>  <Formula>
C23H25N5O3S

>  <Synonyms>
N/A

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

$$$$
