418
 OpenBabel09292113373D

 68 71  0  0  1  0  0  0  0  0999 V2000
    3.7847    2.3617    1.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1922    3.5064    0.4978 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3451    3.2600   -0.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1627    2.1848   -1.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    4.3794   -1.4386 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4797    4.3244   -2.7361 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1735    5.6283   -3.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7082    6.7085   -3.2511 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1386    5.4802   -4.3570 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7678    6.7031   -5.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0185    4.2084   -2.5251 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3750    5.1598   -1.5008 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4391    2.7936   -2.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9215    2.4706   -2.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0841    3.1994   -1.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3357    4.6608   -1.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1647    2.3539   -1.5976 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7195    1.1156   -1.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3837   -0.0991   -1.5788 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8120   -0.0588   -1.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6776   -1.2820   -1.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3507   -1.2786   -2.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6772   -0.0353   -2.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5744    0.0549   -2.9510 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3699    1.1423   -2.0851 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8097   -2.5207   -2.1927 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7902   -3.3148   -1.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9752   -2.6299   -1.6065 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2166   -3.3593   -1.3780 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2272   -4.5522   -2.2159 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6601   -5.7057   -1.4390 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5441   -6.7044   -1.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0050   -7.4213   -2.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8317   -8.6218   -1.7854 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.0017   -9.3635   -1.0966 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0528   -7.4811   -1.0922 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.6584   -9.8223   -1.3670 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.2779   -5.0964   -0.1735 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6411   -4.6452   -0.3992 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4538   -3.8304    0.0595 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2124   -2.8835    0.8322 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7793    2.6376    2.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4851    1.5304    1.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7714    2.0673    0.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0379    5.1568   -0.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1095    3.4838   -3.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7717    6.5794   -5.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4788    6.9156   -5.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229    7.5456   -4.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5412    4.4774   -3.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4264    4.6836   -0.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307    2.1116   -2.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0518    2.5905   -1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4982    5.2730   -2.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1630    4.9407   -2.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5979    4.9425   -0.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2018    0.9644   -1.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3676   -0.5265   -2.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0585   -0.5634   -0.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7144   -4.3983   -1.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0345   -2.7263   -1.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4054   -6.2227   -2.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7537   -6.1654   -0.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9825   -7.4298   -0.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3014   -5.7614    0.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9400   -5.0588   -1.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5188   -4.0462    0.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1418   -3.1843    0.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 45  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 46  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
 10 47  1  0  0  0  0
 10 48  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 50  1  0  0  0  0
 12 51  1  0  0  0  0
 13 14  1  0  0  0  0
 13 52  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 20 59  1  0  0  0  0
 21 22  2  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 60  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 61  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 62  1  6  0  0  0
 32 33  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  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 65  1  1  0  0  0
 39 66  1  0  0  0  0
 40 41  1  0  0  0  0
 40 67  1  1  0  0  0
 41 68  1  0  0  0  0
M  CHG  2  36  -1  37  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
