
     RDKit          3D

 79 82  0  0  0  0  0  0  0  0999 V2000
   -3.8579    2.8442    1.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6524    3.5192    0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3973    4.9028    0.2503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3757    2.9320   -1.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9521    2.5996   -1.3672 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4359    1.3084   -1.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0042    1.1132   -2.8850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3044    0.2241   -0.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1824    0.4958    0.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1440   -0.0879   -0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6627   -1.0318    0.5700 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8401    0.4644   -1.2105 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1769    0.0201   -1.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1973    0.4429   -0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2579    1.7824   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2041    2.1818    0.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1063    1.2529    1.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0657   -0.0895    0.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0658   -1.0771    1.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3389   -0.9443    0.7295 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5989   -1.4938   -0.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0173   -1.0275   -0.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4732   -0.0203    0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3957   -0.0813    1.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4124    0.5635    2.1841 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1175   -0.4864   -0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5685    0.0676    1.6956 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1557   -1.1911    2.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6093   -1.3045    3.2634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1970   -2.3778    1.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1081   -3.2651    1.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0658   -4.3948    0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1192   -4.6630   -0.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2286   -3.8174   -0.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3021   -2.6914    0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4678   -1.9152    0.2854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1964   -1.3606    1.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5525   -0.8447    0.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4780    0.5652    0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5417    0.6227   -0.8664 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3304    1.8252   -1.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8831    1.9264   -2.7463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2124    3.2256    2.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9903    1.7477    1.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7748    3.0721    1.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7336    3.4022    0.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4373    5.0360    0.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5853    3.7677   -1.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2873    3.4017   -1.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1482   -0.7541   -1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2558    0.1770   -0.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0190    1.5956    0.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4086    1.2510   -1.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4463    0.4802   -2.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1696   -1.0827   -1.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5671    2.5156   -0.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2405    3.2157    1.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8364    1.5824    2.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2163   -0.9120    2.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6880   -2.1165    1.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8559   -1.0977   -1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5395   -2.6037   -0.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7104   -1.8972   -0.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0169   -0.5583   -1.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4452   -0.3197    0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5406    1.0043   -0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0952   -1.5162   -0.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4847    0.7915    2.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2820   -3.0761    1.9507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2143   -5.0616    0.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0836   -5.5351   -1.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0517   -4.0492   -1.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6427   -0.5275    1.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3686   -2.1545    2.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9741   -1.5566    0.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2581   -0.8078    1.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4916    0.8536   -0.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1846    1.2778    1.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4050   -0.2604   -1.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 18 26  2  0
  9 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  2  0
 41  4  1  0
 26 14  1  0
 35 30  1  0
 24 20  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  2 46  1  0
  3 47  1  0
  4 48  1  0
  5 49  1  0
  8 50  1  0
  8 51  1  0
  9 52  1  0
 12 53  1  0
 13 54  1  0
 13 55  1  0
 15 56  1  0
 16 57  1  0
 17 58  1  0
 19 59  1  0
 19 60  1  0
 21 61  1  0
 21 62  1  0
 22 63  1  0
 22 64  1  0
 23 65  1  0
 23 66  1  0
 26 67  1  0
 27 68  1  0
 31 69  1  0
 32 70  1  0
 33 71  1  0
 34 72  1  0
 37 73  1  0
 37 74  1  0
 38 75  1  0
 38 76  1  0
 39 77  1  0
 39 78  1  0
 40 79  1  0
M  END
$$$$
