55
 OpenBabel09292113323D

 53 55  0  0  1  0  0  0  0  0999 V2000
   -0.1293    1.0254   -4.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1505    1.6155   -3.9394 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7813    2.4900   -2.8615 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2309    0.6217   -3.4337 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8209   -0.1805   -2.2594 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9017   -1.1486   -2.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4390   -1.7072   -1.1849 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7570   -1.6196    0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6460   -0.7712    0.7641 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8658   -0.9467    2.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7027    0.2653    3.1098 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    0.9456    2.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3704   -1.9356    2.8816 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4967   -2.7136    2.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1122   -2.5952    0.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8160   -3.5597    0.5984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9451   -4.2888    1.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1324   -3.8390    2.6978 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2313   -4.6155    3.8660 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3761   -3.7612    5.0174 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5923   -4.1385    5.7180 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6348   -3.0209    5.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1200   -1.8211    6.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700   -5.4449    5.0852 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4432   -6.5965    5.6763 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5623   -5.3346    3.6592 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4081   -6.6095    3.0419 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4915   -1.5779   -3.3834 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8939   -0.0856   -4.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4826   -1.3446   -4.8964 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6787    0.4847   -5.3747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7615    1.8286   -4.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7423    0.5337   -3.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0743    0.3259   -5.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5952    2.2494   -4.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5325    1.9216   -2.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0400    1.2336   -3.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2561    0.0065   -1.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2391   -2.4369   -1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5830    1.6259    2.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5380    1.5273    1.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6488    0.1762    1.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5626   -5.1752    1.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5896   -5.3140    4.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3141   -4.2722    6.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9291   -2.8160    4.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5400   -3.2899    6.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3893   -1.5382    5.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1511   -5.5987    5.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6405   -6.3113    6.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2555   -4.7421    3.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4264   -7.2675    3.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6967   -1.6208   -4.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  2  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 19 44  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 45  1  1  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 49  1  1  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  6  0  0  0
 27 52  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 53  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
