182
 OpenBabel09292113323D

 53 55  0  0  1  0  0  0  0  0999 V2000
    0.9158    0.3240    2.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0565    1.1555    2.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252    2.2342    3.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3156    0.9022    2.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5661    1.5806    2.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2845    2.0720    1.4309 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6442    2.3535    1.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4757    2.3841    0.5746 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8128    2.5075    0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8779    2.2153   -0.6224 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4155    3.6025   -1.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5847    3.6275   -3.1112 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9003    4.9948   -4.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4511    2.6696    1.9442 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6003    2.7091    2.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2239    2.5725    2.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6811    2.6721    4.1885 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7095    2.8376    4.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8922    2.8531    4.3031 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2177    2.9675    4.8764 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1966    2.4005    6.2119 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9128    3.2812    7.1109 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9247    3.8987    8.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3100    2.8841    8.8955 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5986    4.3260    6.2368 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8963    3.8897    5.7982 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6938    4.4140    5.0176 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4066    4.9004    3.8850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0423    0.6301    2.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0633   -0.7311    2.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8332    0.4200    0.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6527    2.2828    3.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    3.2139    3.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334    2.0526    4.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    0.0890    1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1492    0.8176    3.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3416    2.4019    3.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    2.9095    1.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4911    4.5492   -1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3959    3.4657   -2.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4966    5.1170   -4.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9466    5.9286   -3.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8694    4.7843   -4.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6484    2.9248    6.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8998    2.3613    4.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6334    2.6558    7.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1254    4.4496    7.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4442    4.5782    8.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8703    2.2631    8.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7383    5.2937    6.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9435    2.9161    5.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8515    5.0873    5.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3534    4.7028    4.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  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 44  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 45  1  6  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 46  1  1  0  0  0
 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 50  1  1  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 27 52  1  1  0  0  0
 28 53  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
