
     RDKit          3D

 50 53  0  0  0  0  0  0  0  0999 V2000
   -1.6334   -0.1016    1.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640    1.0352    1.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5440    2.2705    0.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7882    2.6803    0.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6921    1.9581    1.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9997    0.5902    1.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0574   -0.3477    0.9427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4675   -1.6605    0.5205 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6772   -2.5263   -0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1937   -3.7664   -0.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4525   -4.5551   -1.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517   -4.1168   -2.0373 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7417   -2.9230   -1.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4606   -2.1323   -0.7897 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100   -2.4793   -2.1701 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4627   -1.6932   -1.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6295   -1.1720   -1.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831   -0.7017   -0.9490 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7151   -0.8941    0.1808 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5510   -1.5244   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2743   -0.6584    1.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1023    0.6388    1.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2367    1.9032    1.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5865    2.0102    0.2027 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5767    3.0750    0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5298    2.7533   -0.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7849    3.0727   -0.4414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.9415    1.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0969    1.0183    1.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1569    3.5887    0.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6393    2.5290    1.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2204    1.8891    2.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0345    0.3573    0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4484   -1.9568    0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1600   -4.1061   -0.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8365   -5.5115   -1.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880   -2.8303   -3.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9364   -1.1834   -2.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8739   -1.9067    0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4576   -0.6175    2.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9311   -1.5150    1.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    0.6545    0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6512    0.6492    2.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4799    1.8503    2.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8778    2.7956    1.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3159    2.2330   -0.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716    3.1751    1.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0562    4.0560   -0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7478    3.3550   -1.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5672    1.6828   -1.1992 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  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
  7  1  1  0
 14  9  2  0
 20 16  2  0
 27  3  1  0
  1 28  1  0
  2 29  1  0
  4 30  1  0
  5 31  1  0
  5 32  1  0
  6 33  1  0
  8 34  1  0
 10 35  1  0
 11 36  1  0
 15 37  1  0
 17 38  1  0
 20 39  1  0
 21 40  1  0
 21 41  1  0
 22 42  1  0
 22 43  1  0
 23 44  1  0
 23 45  1  0
 24 46  1  0
 25 47  1  0
 25 48  1  0
 26 49  1  0
 26 50  1  0
M  END
$$$$
