
     RDKit          3D

 86 90  0  0  0  0  0  0  0  0999 V2000
    6.5147   -0.2158   -0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4338    1.0593    0.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4678    1.3962    1.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3889    2.5598    2.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    3.3976    2.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2332    3.0811    1.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0338    3.9841    1.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2985    1.8900    0.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2487    1.5374   -0.2721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1158    0.8183    0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1411    0.5929   -0.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1972    1.3071   -1.9480 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1142   -0.3988   -0.7621 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800   -0.7586   -1.8363 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2354   -0.2466   -1.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1505   -0.5386   -2.3613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5296    0.7717   -0.5658 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2515    1.9753   -0.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4121    2.8297    0.2999 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7973    2.0315    1.4556 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2252    0.7402    0.8623 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7695   -0.4898    1.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9398   -1.3347    1.9921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1567   -0.6710    1.9041 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3010   -0.4530    1.0103 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8870    0.8606    1.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3654    1.8859    1.5533 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4002   -1.5331    1.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2527   -2.8659    0.4716 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8756   -3.5486    0.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1609   -3.2903   -0.7447 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2160   -3.0188   -1.7024 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3887   -2.6830   -0.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4349   -2.2746   -1.5650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3013   -4.4501   -1.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8645   -5.5305   -1.5140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8642   -4.3704   -1.2609 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0677   -3.1852   -0.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3027   -2.3005   -2.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7767   -2.5960   -2.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5424   -2.6614   -3.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1873    3.3759    1.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4711    4.5326    1.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1695    3.4119    0.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5646   -0.5698   -0.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1276   -0.0589   -1.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9112   -1.0013    0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3356    0.7563    1.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1903    2.8116    3.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2321    4.2942    2.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2898    3.6725    2.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5663    3.9450    0.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3249    5.0385    1.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6144    1.3892    1.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4439   -0.1628    0.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0844   -0.9372    0.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4817   -0.2174   -2.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    2.5310   -1.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2563    1.7031   -1.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3961    3.2870    0.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4362    2.0076    2.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1315    0.7800    1.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3398   -1.1149    2.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9755   -0.4579   -0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3963   -1.1182    0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4746   -1.7635    2.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0459   -3.5647    0.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363   -4.6405    0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2802   -3.1865    1.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5814   -2.3646   -0.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0679   -2.8274   -2.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3484   -5.2047   -1.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669   -2.6008   -0.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8549   -3.5357   -0.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4714   -2.3678   -1.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082   -3.6698   -2.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0857   -1.9879   -3.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3647   -1.9323   -4.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2742   -3.6697   -3.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6255   -2.6889   -3.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4396    5.4934    1.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4673    4.4408    2.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6949    4.5517    2.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2850    2.6357   -0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9787    3.2834    1.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2981    4.3987   -0.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  3  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 31 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 20 42  1  0
 42 43  1  0
 42 44  1  0
  8  2  1  0
 39 14  1  0
 21 17  1  0
 33 29  1  0
 42 19  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  3 48  1  0
  4 49  1  0
  5 50  1  0
  7 51  1  0
  7 52  1  0
  7 53  1  0
 10 54  1  0
 10 55  1  0
 13 56  1  0
 14 57  1  6
 18 58  1  0
 18 59  1  0
 19 60  1  1
 20 61  1  1
 21 62  1  6
 24 63  1  0
 25 64  1  6
 28 65  1  0
 28 66  1  0
 29 67  1  1
 30 68  1  0
 30 69  1  0
 31 70  1  1
 32 71  1  0
 37 72  1  0
 38 73  1  0
 38 74  1  0
 40 75  1  0
 40 76  1  0
 40 77  1  0
 41 78  1  0
 41 79  1  0
 41 80  1  0
 43 81  1  0
 43 82  1  0
 43 83  1  0
 44 84  1  0
 44 85  1  0
 44 86  1  0
M  END
$$$$
