
     RDKit          3D

 50 51  0  0  0  0  0  0  0  0999 V2000
    5.3818    2.5032   -2.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8458    2.6117   -1.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4119    2.7460   -0.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4483    2.2672    0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3449    0.7653    0.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2585    0.0647   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9299    0.0816    0.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8362   -0.6052   -0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9808   -1.0264   -1.2822 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6469   -0.6913    0.5473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4713   -1.4383    0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -1.1583    0.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2928   -1.3545    2.2983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3547    0.2198    0.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3752   -0.4978   -0.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7433   -0.0435   -0.2291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0073    1.2212   -0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5058    1.4351   -0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0633   -1.8198    0.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9951   -3.0504   -0.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0063   -2.0924    1.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7771    0.1382    1.9285 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5636    0.0066    0.9800 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9736    2.3984   -3.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3642    2.2073   -0.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6373    3.8046   -0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4535    2.7049    0.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8062    2.6508    1.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5506   -0.9755   -0.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1334    0.5295   -1.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6155    1.1130    0.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0352   -0.4286    1.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6357   -0.5171    1.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6371   -1.1428   -1.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1986   -2.4995    0.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2347   -2.3212    2.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7339    0.9639    0.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7960    0.6955    1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0354   -0.5376   -1.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5282    2.0082   -0.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6002    1.2387   -1.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9926    0.6499   -1.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7494    2.4063   -1.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9280    1.3869    0.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3836   -2.8759   -1.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5681   -3.9036    0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9944   -3.3351   -0.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1006   -1.2237    2.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0105   -2.3488    1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6410   -2.9313    2.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
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 11 12  1  0
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 14 15  1  0
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 16 17  1  0
 17 18  1  0
 15 19  1  0
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  5 22  1  0
 22 23  2  0
 23  5  1  0
 19 12  1  0
  1 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
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 10 33  1  0
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 13 36  1  0
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 17 40  1  0
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 18 44  1  0
 20 45  1  0
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 21 48  1  0
 21 49  1  0
 21 50  1  0
M  END
