79
 OpenBabel09292113323D

 56 58  0  0  1  0  0  0  0  0999 V2000
    2.0119    0.9529   -3.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8470    2.1159   -3.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3681    2.1331   -3.3134 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8409    3.2815   -4.0468 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    2.2116   -1.8428 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5378    1.0612   -0.9910 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8878   -0.1985   -1.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641   -1.2340   -0.5697 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483   -1.4146    0.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9961   -0.4707    1.3018 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -0.8873    2.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4518    0.4097    3.3521 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2441   -0.4251    4.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516   -2.1492    2.8646 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8387   -3.0192    2.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5581   -2.7502    0.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1037   -3.8983    0.4312 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7887   -4.8478    1.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0605   -4.3535    2.3404 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8106   -5.0025    3.6021 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9496   -5.8277    3.9389 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -7.0439    4.5580 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8026   -8.2209    3.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2129   -8.3328    3.4703 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -6.8533    4.7565 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6727   -6.1946    6.0048 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5815   -5.9009    3.6315 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3762   -5.2027    3.9290 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6088   -0.4236   -2.2903 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3779    2.5617   -1.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2253    1.6090   -2.3152 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8111    3.6442   -1.4150 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966    1.0426   -3.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9115    0.9581   -1.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4020   -0.0155   -3.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083    3.0542   -3.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7070    2.1408   -4.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8047    1.2673   -3.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7359    4.0787   -3.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3979    3.0745   -1.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2212    1.2202   -0.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218   -2.0958   -0.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0491    0.3047    5.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6390   -1.2959    4.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6782   -0.6990    3.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0902   -5.8873    1.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459   -4.2192    4.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0013   -7.1430    5.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3644   -8.1006    2.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4434   -9.1581    4.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -7.4895    3.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3879   -7.7830    4.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356   -5.6464    6.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4520   -6.4384    2.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2746   -5.2226    4.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7461    0.7908   -2.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  2  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 20 47  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 48  1  1  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 52  1  6  0  0  0
 26 53  1  0  0  0  0
 27 28  1  0  0  0  0
 27 54  1  6  0  0  0
 28 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 56  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
