
     RDKit          3D

 51 53  0  0  0  0  0  0  0  0999 V2000
    5.7912    2.1399   -0.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8262    1.5506    0.0590 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6698    2.3610    0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6205    1.7158    0.9895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2255    0.4064    0.4722 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2980    0.1708   -0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5402    1.2436   -1.0067 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7560    1.0568   -1.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6896    2.2475   -1.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8340    2.6056    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4984    1.4956    0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5727    0.9899    2.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1823   -0.0744    2.8098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6472   -1.2898    2.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7632   -1.8711    2.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3497   -3.0205    2.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8318   -3.5956    1.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6978   -3.0518    0.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0522   -1.9281    1.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8537   -1.4062    0.6387 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0597   -2.0118   -0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005   -3.3429   -0.5239 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8743   -3.9445   -1.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8857   -3.1985   -1.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957   -1.8393   -1.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0830   -1.2316   -0.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4240    2.2056   -1.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6969    1.4993   -0.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0911    3.1452   -0.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9071    3.3673    0.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2490    2.4820   -0.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7366    2.3788    1.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0628    1.5752    1.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9654    2.1946   -1.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971    0.9672   -2.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.1252   -1.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6928    2.0283   -1.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2933    3.1376   -1.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8435    2.8949    0.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4650    3.5190    0.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8219    0.6495    0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4211    1.8997    1.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828    1.8266    2.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.6854    1.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2005   -1.4052    3.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2247   -3.4481    2.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3124   -4.4640    0.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3638   -3.5025   -0.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7853   -5.0032   -1.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5883   -3.6728   -2.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8011   -1.2633   -2.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  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  1  0
 14 15  2  0
 15 16  1  0
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 17 18  1  0
 18 19  2  0
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 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26  6  1  0
 19 14  1  0
 26 21  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  4 33  1  0
  7 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
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 12 44  1  0
 15 45  1  0
 16 46  1  0
 17 47  1  0
 18 48  1  0
 23 49  1  0
 24 50  1  0
 25 51  1  0
M  END
$$$$
