
     RDKit          3D

 61 64  0  0  0  0  0  0  0  0999 V2000
    0.5422   -3.5147    0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4058   -2.5410   -0.0904 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685   -1.1542    0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8046   -0.2174   -0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5954   -0.8262   -1.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -1.3915   -0.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7863   -0.3676   -0.2691 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2281   -0.4596   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7637   -1.5833   -0.5616 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1027    0.7276   -0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4955    0.6513   -0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1016    2.2095   -0.0824 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5839    2.9150    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6083    1.9870   -0.0594 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1528    0.5544    0.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7683    0.0492    1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2036    1.1650   -0.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8492    1.8485    0.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276    2.9563    0.9848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1192    2.3347   -0.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9864    2.9876    0.5064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8972    1.2303   -1.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655    0.6779   -0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2913    1.5236   -0.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5095    1.0746    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6336   -0.2331    0.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5418   -1.0985    0.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3110   -0.6713   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583   -1.5959   -0.0787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7608   -2.2813   -1.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4985   -3.0580   -0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3961   -4.2162   -1.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478   -3.9558   -0.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0105   -4.3266    0.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197   -3.0488    1.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4236   -1.1795    1.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2845   -0.6703    0.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0087   -1.5952   -1.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7936   -0.0427   -2.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8820   -2.2736   -0.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4716   -1.7196   -1.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0882   -0.2467   -0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3932    3.9716    0.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7819    0.6411    1.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0666    1.5616    0.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3199    0.7771    1.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9286   -0.8888    1.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2158    1.0327   -1.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0327    1.8800   -0.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1854    1.1646    1.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6869    3.1245    1.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7590    3.0681   -1.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7015    3.9361    0.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2365    0.4188   -1.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2053    1.6812   -2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2272    2.5376   -0.8763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3614    1.7415    0.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5783   -0.5790    0.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6493   -2.1132    0.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5547   -1.5924   -2.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5450   -2.9865   -1.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
  7 15  1  0
 15 16  1  0
  4 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 31  2  1  0
 16  4  1  0
 28 23  1  0
 14 10  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  3 36  1  0
  3 37  1  0
  5 38  1  0
  5 39  1  0
  6 40  1  0
  6 41  1  0
 11 42  1  0
 13 43  1  0
 15 44  1  0
 15 45  1  0
 16 46  1  0
 16 47  1  0
 17 48  1  0
 17 49  1  0
 18 50  1  0
 19 51  1  0
 20 52  1  0
 21 53  1  0
 22 54  1  0
 22 55  1  0
 24 56  1  0
 25 57  1  0
 26 58  1  0
 27 59  1  0
 30 60  1  0
 30 61  1  0
M  END
$$$$
