375
 OpenBabel09292113323D

 53 55  0  0  1  0  0  0  0  0999 V2000
    3.5574    1.7808    0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0173    0.1098    0.2587 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4215   -0.7430    1.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1360   -2.0628    1.7749 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4208   -2.8045    2.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0820   -4.1533    2.9344 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1060   -4.9088    1.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7497   -5.5355    1.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3455   -6.7532    1.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2175   -7.7157    2.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0754   -7.2064    1.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0876   -8.3632    0.9375 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0269   -2.1531    3.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4629   -2.6092    5.1889 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9145   -1.5352    5.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7764   -0.4091    5.0469 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0398    0.9699    5.4084 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1303    1.0573    6.3399 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7082    1.8546    7.4809 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3530    0.9792    8.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5278    0.3115    9.0857 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3254   -0.6615   10.3876 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.2352   -1.6167    9.9242 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6984   -1.2791   10.5811 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8922    0.3134   11.4722 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5151    2.6568    6.9768 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9392    3.7971    6.1842 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8338    1.6873    6.0215 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0564    2.4088    5.0547 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2487   -0.7974    3.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9805   -0.0310    2.7716 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3742    2.4407   -0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6287    1.7983    0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9965    2.1647    1.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5104   -4.5958    3.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9002   -5.6605    1.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3140   -4.3096    0.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0322   -4.8771    1.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2076   -7.3133    2.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3584   -8.6375    2.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7506   -7.9684    3.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6926   -6.4432    1.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5454   -7.4568    2.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3817   -8.1135    0.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347   -1.5209    6.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750    1.4765    4.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5554    2.4993    7.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5844    0.2472    8.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9804    1.6071    9.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8495    3.0357    7.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9112    3.7391    6.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1734    0.9936    6.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4789    3.2929    5.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  2  3  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 17 46  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 19 47  1  1  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 50  1  1  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  1  0  0  0
 29 53  1  0  0  0  0
 30 31  1  0  0  0  0
M  CHG  2  24  -1  25  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
