
     RDKit          3D

 67 69  0  0  0  0  0  0  0  0999 V2000
    6.6119    2.2850    1.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7938    1.5213    0.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7273    0.9511   -0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9669    0.4050    1.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9730   -0.1583    0.4034 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0532   -1.1709    0.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0998   -1.6178    2.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0471   -1.6986   -0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037   -2.3227   -1.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6028   -2.8660   -2.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2330   -2.7796   -1.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2546   -2.1248   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6518   -1.5763    0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1046   -0.8024    1.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7937    0.2930    0.8881 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0400    1.3718    0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9628    2.1482   -0.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3158    3.4744   -0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1927    4.1766   -1.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7249    3.5595   -2.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3816    2.2383   -2.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5022    1.5348   -1.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5871    0.8189    2.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207    0.4034    1.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8588    1.2144    1.4068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4311   -0.9111    2.2804 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8332   -1.3223    2.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4678   -1.5312    0.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6052   -2.4048    0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9502   -1.5755   -1.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6447   -2.1980   -1.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6315   -1.9801   -0.5828 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3352    1.6081    2.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1728    3.1167    1.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9381    2.7256    2.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0965    2.2453    0.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4373    0.2184    0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    1.7712   -0.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1454    0.4425   -1.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6427   -0.4041    1.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4318    0.8214    2.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8744    0.2225   -0.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5654   -2.4060   -1.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9696   -3.3588   -3.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4437   -3.2152   -2.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4563   -1.5334    1.9409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9038   -0.3861    1.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663    2.0321    0.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7679    0.9604   -0.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9134    3.9653    0.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4559    5.2009   -0.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4029    4.1045   -3.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931    1.7611   -3.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2385    0.5145   -2.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5557    1.9304    2.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2030    0.4618    3.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7086   -1.5736    2.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8931   -2.2790    2.9309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4121   -0.5636    2.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6998   -0.5459    0.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4484   -2.0349    1.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8392   -2.9608    0.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2501   -3.1775   -0.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6598   -1.4925   -1.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7257   -0.5428   -0.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7709   -3.2862   -1.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3565   -1.6974   -2.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 15 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 13  8  1  0
 22 17  1  0
 32 12  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  0
  3 37  1  0
  3 38  1  0
  3 39  1  0
  4 40  1  0
  4 41  1  0
  5 42  1  0
  9 43  1  0
 10 44  1  0
 11 45  1  0
 14 46  1  0
 14 47  1  0
 16 48  1  0
 16 49  1  0
 18 50  1  0
 19 51  1  0
 20 52  1  0
 21 53  1  0
 22 54  1  0
 23 55  1  0
 23 56  1  0
 26 57  1  0
 27 58  1  0
 27 59  1  0
 28 60  1  0
 28 61  1  0
 29 62  1  0
 29 63  1  0
 30 64  1  0
 30 65  1  0
 31 66  1  0
 31 67  1  0
M  END
$$$$
