77
 OpenBabel09292113353D

 55 58  0  0  1  0  0  0  0  0999 V2000
    1.0790    0.1163   -0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5155   -0.1259   -0.1241 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1296   -1.3635   -0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5123   -1.4845   -0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9447   -2.7753   -0.0788 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -3.4635   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947   -2.6805   -0.0813 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3842   -3.3099   -0.1517 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4263   -4.5745    0.5821 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8010   -5.6214   -0.2042 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8407   -6.6635   -0.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4129   -7.3109    0.4909 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1338   -4.9247   -1.3825 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2056   -4.5057   -1.0653 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9733   -3.6693   -1.5825 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2195   -2.6426   -2.2207 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520   -0.3096   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5784   -0.3353   -0.1834 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6966    0.9268   -0.1283 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034    1.0278   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9413    2.2980   -0.0912 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1070    3.0400   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1013    4.5265   -0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2172    2.2135   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6738    2.5644   -0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2525    2.8891    1.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3316    1.7410    2.2916 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2377    0.6342    1.8823 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8441    2.2747    3.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5865    1.3335    4.2920 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138    3.3784    4.1154 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4758   -0.7867   -0.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7898    0.7174   -1.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7795    0.6638    0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8013   -4.5430    0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6612   -2.6835    0.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0714   -6.1072    0.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6562   -6.2222   -1.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660   -7.4399   -1.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8584   -6.6327    1.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0700   -5.5410   -2.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3133   -4.4779   -0.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8494   -3.8972   -2.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7223   -2.9101   -2.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0872    4.9325   -0.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6255    4.9060   -0.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6224    4.9087    0.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7837    3.4695   -0.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2807    1.8174   -0.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6627    3.7036    1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2600    3.3027    1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3393    1.3190    2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1054    1.0329    1.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8183    0.1623    1.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6403    0.5640    3.6700 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
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  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
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 36  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 37  1  1  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 41  1  6  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 43  1  6  0  0  0
 16 44  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 55  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
