437
 OpenBabel09292113363D

 55 57  0  0  1  0  0  0  0  0999 V2000
    1.2044   -2.7984    3.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3109   -2.5667    2.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1426   -1.2923    2.5714 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7394   -1.3356    3.8745 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2339   -1.0295    1.5019 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9242    0.2749    1.6900 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4150    1.4091    1.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3990    1.3438    0.4068 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2218    2.5047    1.2791 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229    3.7887    0.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6737    4.1151    0.3823 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4682    5.3371   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625    6.3194   -0.3438 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5809    5.9662    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    4.7627    0.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2707    4.7612    1.0247 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7270    5.9427    0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7453    6.6898    0.0235 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8830    7.9332   -0.7123 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1475    7.9585   -1.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7734    9.2503   -1.1941 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9056    9.1841   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9759    8.3674   -0.6661 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3212    8.2643    0.4168 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.4763    9.7869    0.2000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3240    7.6590    1.4328 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.6664    8.1611    1.4996 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.6474   10.1637   -0.6983 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8338   10.6580   -1.7954 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7642    9.2205    0.1099 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4240    9.7371    0.1683 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3223   -2.1112    1.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1432   -3.3105    1.6171 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5461   -1.6126    1.1540 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6883   -3.7402    3.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4632   -1.9946    3.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6072   -2.8734    4.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8673   -2.5258    1.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9435   -3.4575    2.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550   -0.4377    2.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1164   -2.2263    3.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7715   -1.0301    0.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2727    0.4436    2.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1918    2.3776    1.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4488    5.5518   -0.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7550    6.2947    0.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1153    7.9167   -1.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1670    9.5719   -2.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5200    8.7899    0.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2610   10.2052   -0.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9769   11.0357   -0.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2299   10.3187   -2.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1287    9.0875    1.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3477   10.3059   -0.6296 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4691   -0.6419    1.0144 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
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2 38  1  0  0  0  0
  2 39  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 46  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 47  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 21 48  1  6  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  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 51  1  1  0  0  0
 29 52  1  0  0  0  0
 30 31  1  0  0  0  0
 30 53  1  1  0  0  0
 31 54  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 55  1  0  0  0  0
M  CHG  2  26  -1  27  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
