420
 OpenBabel09292113373D

 76 80  0  0  1  0  0  0  0  0999 V2000
    3.7839   -3.6220    3.4032 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4954   -2.8264    2.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0352   -2.5645    1.3727 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8193   -1.7316    0.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0288   -1.1810    1.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4557   -0.2990   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6258    0.6230   -0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1795    2.0209   -0.0444 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3397    2.4232    1.0876 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0968    2.4223    2.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8474    3.5092    3.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8644    4.4003    2.4558 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6093    4.1795    3.0961 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9119    3.9230    0.9813 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6751    4.0970    0.2774 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2068    5.4515    0.1961 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9468    5.4930   -0.5040 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0617    5.0814   -1.8940 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6444    5.0561   -2.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7786    4.1933   -1.7439 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9827    6.0620   -2.6424 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4416    7.4120   -2.6061 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    6.1167   -1.9450 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1856    7.1473   -2.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1640    6.4701   -0.4625 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4223    6.6132    0.2145 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -0.4112   -1.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5134   -1.2541   -0.6041 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2783   -1.5293   -1.3187 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5103   -1.5058   -2.7445 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4622   -0.7271   -3.3851 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9441    0.6466   -3.8456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9344    0.4869   -4.8389 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4386    1.8925   -5.5168 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.5447    1.4548   -6.4587 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1810    2.4211   -6.1907 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8781    2.7257   -4.3144 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3628   -0.6204   -2.3335 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5758   -1.8378   -2.2705 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1490   -0.5343   -1.0329 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3157   -0.9010    0.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5401   -1.5226    2.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6078   -1.1440    2.7948 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6950   -2.3546    3.0387 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0360   -4.1047    2.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3040   -4.2092    4.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2339    0.4296   -0.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2877    0.4438    0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6448    2.1535   -0.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4387    1.8031    1.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7442    1.6172    2.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2644    3.7073    4.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1276    5.4563    2.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2107    3.4049    2.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7195    4.4248    0.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9865    5.7946    1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4680    4.0634   -1.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6604    4.7107   -3.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1826    6.0472   -2.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3048    3.3972   -1.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0925    5.7982   -3.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8576    7.4546   -1.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8867    5.1668   -2.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5579    7.7907   -2.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7054    7.4650   -0.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1006    6.4977   -0.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4535    0.0907   -1.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9818   -2.5510   -1.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1397   -1.3084   -4.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3617    1.2189   -3.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0952    1.1993   -4.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6641    0.2105   -2.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0346   -2.4945   -2.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5281    0.4778   -0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7206   -1.5894   -0.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9870   -2.5603    3.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  2  3  2  0  0  0  0
  2 44  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  2  0  0  0  0
  7  8  1  0  0  0  0
  7 47  1  0  0  0  0
  7 48  1  0  0  0  0
  8  9  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 50  1  1  0  0  0
 10 11  2  0  0  0  0
 10 51  1  0  0  0  0
 11 12  1  0  0  0  0
 11 52  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 53  1  1  0  0  0
 13 54  1  0  0  0  0
 14 15  1  0  0  0  0
 14 55  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 16 56  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 57  1  0  0  0  0
 19 20  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 61  1  6  0  0  0
 22 62  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 63  1  6  0  0  0
 24 64  1  0  0  0  0
 25 26  1  0  0  0  0
 25 65  1  0  0  0  0
 26 66  1  0  0  0  0
 27 28  1  0  0  0  0
 27 67  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 40  1  0  0  0  0
 29 68  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 38  1  0  0  0  0
 31 69  1  6  0  0  0
 32 33  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 72  1  6  0  0  0
 39 73  1  0  0  0  0
 40 41  1  0  0  0  0
 40 74  1  1  0  0  0
 41 75  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 76  1  0  0  0  0
M  CHG  2  36  -1  37  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
