
     RDKit          3D

 51 54  0  0  0  0  0  0  0  0999 V2000
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    5.6645    0.1096    2.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1674    1.2898    2.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8627    1.7022    2.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0545    0.9420    1.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5537   -0.2354    1.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7356   -1.0490    0.3011 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7212   -0.5289   -0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7841    0.7171   -0.9568 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8588    1.4204   -1.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0096    2.3764   -1.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2686    2.8677   -1.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5603    2.1910   -1.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7659    0.7988   -1.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6886    0.0229   -1.1138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5421   -0.3837    0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7253   -0.5914    0.9486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6897   -0.9262    2.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4660   -1.0641    2.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -0.8928    2.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2941   -0.5839    0.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0614   -0.5103    0.2265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6112   -1.4905   -0.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4646   -2.4561   -1.1116 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0740   -3.4122   -1.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2370   -3.4298   -2.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1384   -2.4639   -2.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7219   -1.4762   -1.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8575   -0.6540    1.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7872    1.8826    3.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4740    2.6077    3.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359    1.2617    1.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9110   -2.0796    0.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611    0.7108   -2.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4523    2.0209   -2.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6164    3.2572   -0.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4289    2.8244   -1.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5572    2.1413   -0.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263    0.2532   -2.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1819    0.9234   -2.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6833   -0.4644    0.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6130   -1.0683    2.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4388   -1.3161    4.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3299   -1.0280    2.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7821   -4.1595   -2.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551   -4.1922   -3.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1633   -2.4898   -2.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2473   -1.5682    1.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 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
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 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
  6 29  2  0
 29  2  1  0
 28  8  1  0
 21 16  1  0
 28 23  1  0
  3 30  1  0
  4 31  1  0
  5 32  1  0
  7 33  1  0
 10 34  1  0
 10 35  1  0
 11 36  1  0
 11 37  1  0
 12 38  1  0
 12 39  1  0
 13 40  1  0
 13 41  1  0
 14 42  1  0
 14 43  1  0
 17 44  1  0
 18 45  1  0
 19 46  1  0
 20 47  1  0
 25 48  1  0
 26 49  1  0
 27 50  1  0
 29 51  1  0
M  END
$$$$
