419
 OpenBabel09292113373D

 44 47  0  0  1  0  0  0  0  0999 V2000
    1.3426    0.3171    0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8126    0.1411    0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -1.1280    0.1043 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6238   -0.9853    0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5636   -1.9675    0.0727 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8680   -1.6293    0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3482   -0.3427    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3783    0.7493    0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6566    1.9472    0.0441 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063    0.3635    0.0583 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8202    1.0965    0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7060    2.5761    0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7180   -0.3493   -0.0389 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0527   -1.6349   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9535   -2.4569   -0.0045 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9044   -3.9020    0.1490 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2103   -4.4677    0.3236 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3271   -5.6458   -0.5218 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2279   -5.3936   -1.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5622   -5.1288   -1.2902 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7035   -4.8355   -2.5568 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.4173   -6.2892   -3.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7952   -3.6524   -2.9609 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.8448   -4.5422   -3.8234 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8973   -5.9880   -0.9524 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1895   -6.7632    0.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2110   -4.6308   -1.0018 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7928   -4.7675   -0.7709 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8416   -0.6576    0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.8625   -0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0089    0.8609    0.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2431   -2.9322   -0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6588    3.1043    0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1453    2.9264    0.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1539    2.8865   -0.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0628   -2.0285   -0.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3634   -4.0713    1.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7635   -6.4336    0.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8346   -4.5491   -2.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2100   -6.2874   -2.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8216   -6.5407   -1.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079   -6.9066    0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659   -4.1277   -1.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6959   -5.6789   -0.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 16 37  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 18 38  1  1  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 41  1  6  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  6  0  0  0
 28 44  1  0  0  0  0
M  CHG  2  23  -1  24  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
