
     RDKit          3D

 54 56  0  0  0  0  0  0  0  0999 V2000
    5.3850    2.6852    1.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    1.9332    1.1898 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2679   -0.2735    1.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1512   -1.6656    1.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8897   -2.2653    1.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7330   -1.4737    1.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4052   -2.1164    1.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1441   -2.9183    2.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4225   -1.8784    0.0588 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8185   -1.3467   -1.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067   -0.2153   -1.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0015    1.0520   -0.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0970    2.0787   -1.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0188    2.2717   -0.0942 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9350    3.4964    0.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9370    1.2373    0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2815    1.1720    1.5411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5293    0.2732   -0.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0855    0.7600   -1.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7466   -0.0998   -2.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4236    0.5243   -4.1931 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.8886   -1.4505   -2.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3647   -1.9447   -1.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -1.1035   -0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1460   -1.6762    0.8618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7600   -1.6556    1.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9200   -2.4684    0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8536   -0.0771    1.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1400    3.7657    1.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9485    2.4901    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0058    2.4214    2.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    0.1648    1.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0410   -2.2812    1.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8143   -3.3456    1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620   -0.9722   -1.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7832   -2.1754   -2.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1558   -0.5664   -1.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766    0.0438   -2.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0008    1.5100   -1.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6254    3.2468    1.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9271    3.9946    0.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1961    4.2138    0.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0323    1.8159   -2.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4098   -2.1180   -3.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4803   -2.9946   -0.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6443   -2.0989    2.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3955   -0.6172    1.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8398   -3.5215    0.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4319   -2.5305   -0.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9711    0.5415    1.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
  7 29  2  0
 29  3  1  0
 28 10  1  0
 25 19  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  4 33  1  0
  5 34  1  0
  6 35  1  0
 11 36  1  0
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 23 48  1  0
 24 49  1  0
 27 50  1  0
 27 51  1  0
 28 52  1  0
 28 53  1  0
 29 54  1  0
M  END
$$$$
