
     RDKit          3D

 50 53  0  0  0  0  0  0  0  0999 V2000
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   -3.6668    3.5255    0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0005    1.8513    0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9873    1.0845   -0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6302   -0.1615   -0.8651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5517   -1.1878   -1.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2270   -2.9887   -0.2597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793   -2.5737   -0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621   -1.7520    1.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6154   -1.3595    1.5110 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4286   -0.5811    0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7514   -0.3405    1.3768 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5650    0.7760    0.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5328    1.2511    1.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2763    0.1661    2.4834 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4079   -0.7237    3.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4247   -1.3724    2.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739   -0.0294   -0.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7910   -0.4689   -1.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4545   -0.0110   -2.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034    0.8925   -3.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2719    1.3273   -1.9313 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0338    0.9005   -0.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6740    1.4073    0.4220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6562    3.1558    0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9304    4.4632    1.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6033    3.6337    1.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0796    1.0114   -0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2858   -1.3377   -0.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0945   -0.8950   -2.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4105   -0.8604    1.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9184    1.6318    0.5841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1421    0.4410   -0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2394    1.9822    1.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9802    1.7850    2.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181   -1.5223    3.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8578   -0.2071    3.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9755   -2.0571    1.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6946   -1.9712    2.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5973   -1.1842   -1.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9995   -0.3581   -3.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276    1.2544   -4.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 14 21  1  0
 21 22  2  0
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 23 24  2  0
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 25 26  2  0
 26 27  1  0
  6  1  1  0
 20 15  1  0
 26 21  1  0
 27  4  1  0
  1 28  1  0
  2 29  1  0
  3 30  1  0
  6 31  1  0
  8 32  1  0
  8 33  1  0
  9 34  1  0
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 11 36  1  0
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 12 38  1  0
 12 39  1  0
 16 40  1  0
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 19 44  1  0
 19 45  1  0
 20 46  1  0
 20 47  1  0
 22 48  1  0
 23 49  1  0
 24 50  1  0
M  END
$$$$
