442
 OpenBabel09292113353D

 45 47  0  0  1  0  0  0  0  0999 V2000
    5.0549   -2.7580    2.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9395   -1.7130    2.3504 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7252   -0.3735    2.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1085   -0.0397    3.6793 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.8655    1.2557    3.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3653    1.6160    5.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2443    2.1555    2.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8501    1.6812    1.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    2.7567    0.9711 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7482    2.7260   -0.3256 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1091    1.3573   -0.9185 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4272    0.9646   -0.5041 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7031   -0.3950   -0.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9720    1.6026   -2.4120 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1785    2.1559   -2.9534 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059    2.5950   -2.4696 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4536    1.8783   -2.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4355    2.8388   -2.6895 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8718    2.1072   -2.8016 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.3578    3.4441   -2.2282 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2100    1.9287   -4.2989 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3081    1.3756   -2.9137 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9394    3.4219   -1.2737 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5980    3.8594    1.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1888    3.5478    2.7967 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7021    4.4373    3.8203 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1501    0.3982    1.5828 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4052   -3.7150    2.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0339   -2.5980    2.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0600   -2.8209    3.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2426   -1.8653    1.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6613    3.3189   -0.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3718    0.5968   -0.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6946   -0.6341   -0.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7114   -0.5588   -1.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9739   -1.0553   -0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7777    0.6747   -2.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1991    3.1019   -2.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8930    3.2698   -3.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2558    1.3489   -1.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4334    1.1601   -3.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6039    4.8549    1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8312    5.4760    3.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2782    4.2849    4.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6439    4.2443    4.0116 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 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  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 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 32  1  1  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 33  1  1  0  0  0
 12 13  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  6  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 16 39  1  6  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 24 25  2  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  CHG  3  21  -1  22  -1  25   1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
