
     RDKit          3D

 90 94  0  0  0  0  0  0  0  0999 V2000
   -0.7345   -4.2254    1.5955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4876   -3.2193    1.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9880   -1.8877    1.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2229   -1.3935    1.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8067   -0.1348    1.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4591    0.9949    1.3191 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7372   -0.2251    2.8384 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6217    0.8764    3.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8165    0.8836    2.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7806    1.5767    1.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611    1.4991    0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9914    0.7314    0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    0.6483   -0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7215    1.9906   -0.6928 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5132    2.4886    0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0386    2.4935    0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4752    1.2886   -0.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7573    1.2351   -1.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4589    2.0674   -1.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0256    0.0479    1.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440    0.1167    2.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0970   -1.2398   -0.2608 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2921   -0.6153   -0.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6136    0.5223   -0.3135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1466   -1.2957   -1.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7506   -2.5588   -2.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4545   -3.1792   -3.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5634   -2.5532   -3.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9944   -1.3254   -3.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3456   -0.7185   -2.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9355    0.4473   -1.7719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5675    0.5567   -0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7934   -0.3732   -0.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0504    0.1901   -0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5395    1.4757   -0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4505    2.6892   -1.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8644    3.8818   -0.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3725    3.8758    0.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4778    2.6719    1.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0698    1.4752    0.9363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5442   -1.7495   -0.7486 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0038   -2.8079    0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4021   -3.9880   -0.1438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -2.5688    1.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4791   -2.8844    2.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4994   -1.9910    2.8761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7594   -3.3866    0.8256 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6741   -2.0298    3.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7772   -1.1126    1.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0165   -2.1678    1.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9122   -1.1567    3.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0772    1.8400    3.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9492    0.7540    4.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172    2.1727    0.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8148    2.0310   -0.7583 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9306   -0.0490   -0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7642    0.2137   -1.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1935    3.5283    0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3032    1.9011    1.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3339    3.4262   -0.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5646    2.4872    1.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2551    0.3669   -0.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5728    1.3222   -0.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5199    0.1771   -2.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4358    1.6103   -2.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8141    1.7394   -2.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7132    3.1327   -2.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8860   -0.5464    1.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860   -0.4318    3.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5442   -1.6960   -0.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8945   -3.0828   -1.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1412   -4.1507   -3.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1005   -3.0339   -4.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8851   -0.8735   -3.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8543    0.4193    0.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8842    1.6150   -0.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0168   -0.4080    0.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8712   -0.5587   -0.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8369    0.3304   -2.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0531    2.7135   -2.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7914    4.8139   -1.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6886    4.8004    1.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8653    2.6680    2.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1517    0.5512    1.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0476   -2.0547   -1.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552   -1.5195    1.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8774   -3.9246    2.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6564   -2.8214    3.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0581   -1.1329    3.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8839   -4.2671    0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 12 20  1  0
 20 21  2  0
  4 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 33 41  1  0
 41 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
 45 46  1  0
 44 47  1  0
 47  2  1  0
 21  9  1  0
 30 25  1  0
 40 35  1  0
 19 14  1  0
  3 48  1  0
  3 49  1  0
  4 50  1  0
  7 51  1  0
  8 52  1  0
  8 53  1  0
 10 54  1  0
 11 55  1  0
 13 56  1  0
 13 57  1  0
 15 58  1  0
 15 59  1  0
 16 60  1  0
 16 61  1  0
 17 62  1  0
 17 63  1  0
 18 64  1  0
 18 65  1  0
 19 66  1  0
 19 67  1  0
 20 68  1  0
 21 69  1  0
 22 70  1  0
 26 71  1  0
 27 72  1  0
 28 73  1  0
 29 74  1  0
 32 75  1  0
 32 76  1  0
 33 77  1  0
 34 78  1  0
 34 79  1  0
 36 80  1  0
 37 81  1  0
 38 82  1  0
 39 83  1  0
 40 84  1  0
 41 85  1  0
 44 86  1  0
 45 87  1  0
 45 88  1  0
 46 89  1  0
 47 90  1  0
M  END
$$$$
