413
 OpenBabel09292113373D

 49 52  0  0  1  0  0  0  0  0999 V2000
    5.9868   -0.8021    0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9044   -0.4507    1.1244 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7399   -0.0435    0.3901 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056   -1.6329    2.0443 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0211   -2.7290    1.3107 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9936   -3.2646    2.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4047   -4.3992    1.9132 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7827   -5.2510    0.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0699   -5.2732    0.4207 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3333   -6.0443   -0.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4578   -6.7323   -1.4058 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2283   -6.7215   -0.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8052   -6.0321    0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4528   -6.2394    0.4580 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830   -7.0499   -0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1160   -7.3416   -1.3677 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9695   -8.0336   -2.6304 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7097   -9.2585   -2.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2198   -9.4676   -3.9946 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7463   -9.4417   -4.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2572  -10.5816   -3.3865 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8814  -10.7756   -3.5341 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.4449   -9.4822   -2.9507 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1632  -12.0278   -2.7145 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0747  -10.9267   -5.0296 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5958   -8.3625   -4.8547 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2753   -8.7262   -5.3406 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787   -7.2317   -3.8626 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3361   -6.3488   -4.3050 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6214   -2.4025    3.0145 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5040   -1.3512    3.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4317   -0.4046    3.8225 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2501    0.0811   -0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6354   -1.5572   -0.6047 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8903   -1.1747    0.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2305    0.4116    1.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3949   -0.8447   -0.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4928   -1.9638    2.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6266   -3.4452    0.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3686   -6.0956   -0.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9171   -7.4351   -0.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0909   -8.3095   -2.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8685  -10.4606   -4.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0606   -9.4661   -5.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1437   -8.5342   -3.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1859   -8.0679   -5.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0735   -9.6133   -4.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2962   -6.6546   -3.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1823   -6.8854   -4.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  2  3  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 17 42  1  6  0  0  0
 18 19  1  0  0  0  0
 19 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  6  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  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 46  1  6  0  0  0
 27 47  1  0  0  0  0
 28 29  1  0  0  0  0
 28 48  1  1  0  0  0
 29 49  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  CHG  2  24  -1  25  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
