
     RDKit          3D

 81 85  0  0  0  0  0  0  0  0999 V2000
   -2.6108    0.4143   -2.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6203    0.9769   -1.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993    1.3176   -0.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8700    0.3558    0.2666 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5629    0.5204    1.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2675    1.8662    2.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3170    2.7118    2.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0311    3.9536    3.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7062    4.3570    3.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    3.5205    2.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0631    2.2762    2.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6899   -1.0298   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5694   -2.1186    0.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6232   -3.0505    1.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4093   -4.0099    2.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -4.0630    2.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7976   -3.1688    2.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6518   -2.2140    1.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360   -1.3849    1.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2613   -0.6092    2.1115 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5742   -1.5805   -0.0146 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5527   -2.9490   -0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3888   -3.0760   -1.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0380   -1.9414   -2.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2684   -0.5512   -2.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4871   -0.5775   -0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3763    0.8560   -0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2643    1.8507   -0.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6650    1.7256   -0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4967    2.6414   -1.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9392    3.6859   -2.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5482    3.8205   -2.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7078    2.9090   -1.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8986   -3.1314    0.5003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5903   -2.1154   -0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1064   -2.2872   -0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8475   -0.9422   -0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6154   -0.2696   -1.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1629    1.1960   -1.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8698    1.3280   -0.8248 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3641    2.3462   -0.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5146    1.3639   -1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2134   -0.2280    2.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6529    0.3914    1.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3531    2.4081    2.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8390    4.6001    3.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968    5.3175    3.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3709    3.8303    3.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828    1.6378    2.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4077   -1.3001   -1.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2374   -1.0220   -0.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1933   -4.7157    2.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0886   -4.8102    3.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -3.2472    3.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5087   -3.2415   -0.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370   -3.6650    0.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1829   -4.0535   -2.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4709   -3.0554   -1.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9665   -2.0414   -3.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437   -2.0494   -3.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1588   -0.0905   -2.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3945    0.0895   -2.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5293   -0.9225   -0.4471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3169    1.2017   -0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7223    0.8560    1.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098    0.9177   -0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5740    2.5389   -1.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5846    4.3969   -2.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    4.6386   -2.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6289    3.0233   -1.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3284   -1.1362    0.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3211   -2.1863   -1.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3431   -2.6983    0.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4744   -3.0180   -0.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5524   -0.2634    0.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9389   -1.1280   -0.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5741   -0.2914   -2.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8926   -0.8316   -2.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0932    1.6361   -2.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9352    1.7702   -0.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8570    1.8184    0.0975 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  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 14 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40  2  1  0
 11  6  1  0
 18 13  1  0
 26 21  1  0
 33 28  1  0
  3 41  1  0
  3 42  1  0
  5 43  1  0
  5 44  1  0
  7 45  1  0
  8 46  1  0
  9 47  1  0
 10 48  1  0
 11 49  1  0
 12 50  1  0
 12 51  1  0
 15 52  1  0
 16 53  1  0
 17 54  1  0
 22 55  1  0
 22 56  1  0
 23 57  1  0
 23 58  1  0
 24 59  1  0
 24 60  1  0
 25 61  1  0
 25 62  1  0
 26 63  1  0
 27 64  1  0
 27 65  1  0
 29 66  1  0
 30 67  1  0
 31 68  1  0
 32 69  1  0
 33 70  1  0
 35 71  1  0
 35 72  1  0
 36 73  1  0
 36 74  1  0
 37 75  1  0
 37 76  1  0
 38 77  1  0
 38 78  1  0
 39 79  1  0
 39 80  1  0
 40 81  1  0
M  END
$$$$
