441
 OpenBabel09292113353D

 45 47  0  0  1  0  0  0  0  0999 V2000
    1.0620   -1.0987   -0.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265   -0.7291   -0.4745 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2847   -1.5775    0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9958   -2.8877    0.1055 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.7437   -3.8227    0.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5552   -5.0323    0.5767 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7715   -3.2691    1.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9658   -1.9280    1.5986 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0117   -1.6890    2.4681 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5733   -0.3990    2.8078 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8993    0.8640    2.2546 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4579    1.2861    0.9925 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2122    1.8792    3.3340 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5297    2.3987    3.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1901    1.0436    4.6189 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7909    0.9847    5.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8679    0.3860    6.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3649    0.2541    7.3870 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.3472    1.7995    7.3627 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8979   -0.6199    6.2056 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8620    0.1222    8.2336 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6753   -0.2767    4.2352 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4123   -2.8667    2.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7727   -3.8478    2.3328 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.9877   -5.2722    2.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2712   -1.0400    0.8833 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6265    0.7156   -0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9338   -2.1658   -1.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7727   -0.5782   -1.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -0.8019   -0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6072   -0.4401    2.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163    0.7811    2.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1023    1.9844    1.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    2.7265    3.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0618    2.3406    3.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8978    1.4348    5.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1228    0.4161    4.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4138    2.0082    5.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1880   -2.9871    3.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8789   -5.4740    3.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1472   -5.6808    1.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1208   -5.7525    2.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    1.2954   -0.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5614    1.0230   -0.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.9953    0.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 31  1  6  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  6  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  1  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 15 36  1  1  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  CHG  3  20  -1  21  -1  24   1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
