414
 OpenBabel09292113373D

 56 60  0  0  1  0  0  0  0  0999 V2000
    8.8345    4.4039    7.7831 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6189    4.7711    6.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4765    6.0278    6.1860 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125    6.2624    4.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2336    5.3286    3.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1256    6.0221    2.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0841    5.4272    1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3124    5.7224    0.4654 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5186    5.2550    1.1471 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5542    3.7521    1.3026 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1344    3.2675    2.5173 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9873    3.3244    1.3711 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.8269    4.5545    1.1922 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1872    5.0906    2.4731 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8779    5.5230    0.4298 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3314    6.8634    0.5122 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0973    7.3722    2.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1966    7.5105    4.2928 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1150    8.7456    5.0558 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2847    9.7247    4.3901 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7456   11.0506    4.7969 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2395   11.9119    3.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1629   12.2705    2.7607 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5728   13.3264    1.4530 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.8716   14.3809    2.5445 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   12.2510    1.0318 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.9827   14.3822    0.1453 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.8855   10.7978    5.7974 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3883   10.6081    7.1528 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4381    9.4494    5.3448 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2184    8.8522    6.3857 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3040    3.9365    4.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1290    2.9854    3.4641 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5534    3.7516    5.5693 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6607    5.1760    8.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4361    3.5295    8.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2248    5.8351    0.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9197    4.3455    1.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3784    6.7427    0.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5895    5.7525    2.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8805    3.1628    0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3133    2.4250    0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7483    4.3674    0.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4485    4.8966    3.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8192    5.2269   -0.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6651    6.9994    1.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0147    8.2522    2.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5969    8.4816    5.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8854   11.5375    5.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6784   12.8224    4.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0130   11.3682    3.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6427   11.5843    5.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4156   10.6653    7.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0536    9.5460    4.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7734    9.1232    7.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6670    2.8005    5.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  2  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
  9  8  1  0  0  0  0
  9 40  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 43  1  6  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  6  0  0  0
 16 46  1  0  0  0  0
 17 18  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 19 48  1  1  0  0  0
 20 21  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  1  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 52  1  6  0  0  0
 29 53  1  0  0  0  0
 30 31  1  0  0  0  0
 30 54  1  6  0  0  0
 31 55  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 56  1  0  0  0  0
M  CHG  2  26  -1  27  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
