415
 OpenBabel09292113373D

 76 80  0  0  1  0  0  0  0  0999 V2000
    2.4357   -2.0724   -3.0038 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4462   -1.6001   -2.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6611   -2.0743   -1.0333 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7337   -1.5204   -0.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5439   -0.5033   -0.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5750   -0.2862    0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7416    0.6404    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3053    2.0403   -0.0942 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4523    2.4417    1.0318 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2339    2.4092    2.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0565    3.4912    3.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0397    4.3668    2.4730 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7972    4.0597    3.1102 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0378    3.9260    0.9873 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8060    4.1486    0.2864 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3425    5.5045    0.2832 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0744    5.5812   -0.4124 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1719    5.1584   -1.7776 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7732    5.1319   -2.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    4.7139   -3.7851 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1458    6.0494   -2.5650 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2729    5.5588   -3.9116 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5128    6.0728   -1.8575 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4086    6.9466   -2.5536 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3288    6.4924   -0.3864 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5713    6.6076    0.3161 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2941   -1.1282    1.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2038   -1.9029    0.8378 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6854   -2.9914    1.6571 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9257   -2.7604    3.0625 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3015   -4.0154    3.6977 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7429   -3.9851    4.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9208   -2.9708    5.2223 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5327   -2.9145    5.8481 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.2966   -4.3684    6.3173 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9714   -2.5455    4.4123 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.1445   -2.8583    6.4739 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0653   -5.0964    2.6283 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6770   -5.5360    2.6248 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2815   -4.3553    1.3153 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5863   -5.0154    0.2467 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1975    0.0746   -2.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7020    1.1135   -2.6084 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1971   -0.5927   -2.7934 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420   -2.5760   -2.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0418   -1.4383   -3.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3890    0.3893   -0.8127 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750    0.4949    0.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7848    2.1162   -0.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5354    1.8424    1.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8330    1.5506    2.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5058    3.6122    4.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2540    5.4401    2.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5563    3.1763    2.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8558    4.3787    0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1488    5.8231    1.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    4.1313   -1.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2954    6.1161   -2.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1283    4.4332   -1.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048    5.0803   -4.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    7.0707   -2.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9648    4.8676   -3.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9839    5.0875   -1.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1635    7.8644   -2.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9035    7.5005   -0.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2008    5.9585   -0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8117   -1.2613    2.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967   -2.9844    1.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6238   -4.1536    4.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4041   -3.7932    3.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9830   -4.9753    4.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6801   -5.9945    2.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1698   -4.8682    3.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3461   -4.2938    1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8084   -5.4243    0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9593   -0.2485   -3.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  2  3  2  0  0  0  0
  2 44  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  2  0  0  0  0
  7  8  1  0  0  0  0
  7 47  1  0  0  0  0
  7 48  1  0  0  0  0
  8  9  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 50  1  1  0  0  0
 10 11  2  0  0  0  0
 10 51  1  0  0  0  0
 11 12  1  0  0  0  0
 11 52  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 53  1  1  0  0  0
 13 54  1  0  0  0  0
 14 15  1  0  0  0  0
 14 55  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 16 56  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 57  1  0  0  0  0
 19 20  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 61  1  6  0  0  0
 22 62  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 63  1  6  0  0  0
 24 64  1  0  0  0  0
 25 26  1  0  0  0  0
 25 65  1  0  0  0  0
 26 66  1  0  0  0  0
 27 28  1  0  0  0  0
 27 67  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 40  1  0  0  0  0
 29 68  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 38  1  0  0  0  0
 31 69  1  1  0  0  0
 32 33  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 72  1  1  0  0  0
 39 73  1  0  0  0  0
 40 41  1  0  0  0  0
 40 74  1  6  0  0  0
 41 75  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 76  1  0  0  0  0
M  CHG  2  36  -1  37  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
