42
 OpenBabel09292113373D

 67 70  0  0  1  0  0  0  0  0999 V2000
    3.2874   -1.6989    0.8800 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1775   -1.0814    1.6593 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7877    0.0089    2.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9613    1.0422    2.8754 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3618    2.0377    3.8668 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6987    2.8423    3.6330 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5319    4.0836    2.8335 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    4.7151    2.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7679    6.0052    1.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6511    7.1208    1.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3815    8.0640    1.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0422    9.2295    0.8782 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0238    9.3641    1.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3989    8.5519    2.7164 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.7393    7.3945    2.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0112    6.5969    3.8113 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8104   10.4654    1.6971 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3742    7.6104    0.2384 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8817    8.3719   -0.9079 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6380    8.1082   -2.2227 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6828    9.0289   -2.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5414    8.2356   -3.2714 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4378    9.6119   -3.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    7.8001   -2.5460 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9596    6.3214   -2.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7699    5.9808   -2.0444 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4852    8.0407   -1.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9773    6.3646    0.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1267    3.1110    5.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4540    2.3882    5.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4359    1.5030    5.3346 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8591    0.1577    5.4980 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.1348    3.0975 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0510   -0.6970    0.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4910   -1.9343   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768   -1.6227   -0.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1647   -0.5187   -1.1414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1581   -2.7292   -1.5858 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0505   -1.8768    1.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6739   -0.9821    0.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7859   -1.8526    2.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5421    2.7704    3.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4445    2.2099    3.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9946    4.7621    3.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4809    4.0209    1.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3448    4.9187    3.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3409   11.2596    1.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2324   10.6353    2.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9129    9.4351   -0.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0602    7.0975   -2.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2680    9.7944   -2.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7591    7.6519   -4.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9471   10.1099   -3.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4137    8.4045   -2.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7612    5.6741   -2.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7895    6.1107   -3.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344    6.2249   -1.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1950    5.8148    0.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    3.7821    5.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    2.4111    7.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4660    1.6077    5.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6869    0.0549    4.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4093    0.0360   -0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2351   -0.2088    1.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1473   -2.6750    0.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2678   -2.3905   -0.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723   -3.5472   -1.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 41  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  2  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5  4  1  0  0  0  0
  5 42  1  1  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 43  1  6  0  0  0
  7  8  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 19 49  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 50  1  6  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 52  1  6  0  0  0
 23 53  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 24 54  1  6  0  0  0
 25 26  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 57  1  0  0  0  0
 28 58  1  0  0  0  0
 29 30  2  0  0  0  0
 29 59  1  0  0  0  0
 30 31  1  0  0  0  0
 30 60  1  0  0  0  0
 31 32  1  0  0  0  0
 31 61  1  1  0  0  0
 32 62  1  0  0  0  0
 34 35  1  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
 35 36  1  0  0  0  0
 35 65  1  0  0  0  0
 35 66  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 67  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
