
     RDKit          3D

 83 88  0  0  0  0  0  0  0  0999 V2000
   -6.7218    1.8264    4.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2062    1.4818    3.3609 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2356    0.5756    3.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0385    0.4792    1.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0346   -0.3914    1.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7395    0.3377    0.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170    1.2930    1.5047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8483   -0.0610   -0.3311 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1498    1.0008   -1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1811    1.8681   -0.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421    1.1031    0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8855    0.3728   -0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9095   -0.3896    0.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4969    0.5747    1.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9243    1.8208    1.3973 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2098    2.1369    0.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3761    3.3228    0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6323    3.6840   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7205    2.8479   -0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5529    1.6999    0.6622 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395    1.3275    1.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334   -1.6062    1.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4866   -2.9786    0.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5910   -2.8557   -0.4844 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5968   -1.9400   -1.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0760   -0.9175   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8253   -3.7196   -1.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2809   -4.7599   -0.9027 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6618   -3.4060   -2.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -4.0892   -3.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4553   -3.7537   -5.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6294   -2.7253   -5.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8078   -2.0416   -4.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7916   -2.3819   -3.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0995   -1.6653   -2.4273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6999   -2.1337   -1.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0168   -1.3958   -0.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9217    1.3763    1.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1586    1.7076   -0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1583    2.6618   -0.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8919    3.2527    0.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6255    2.9062    1.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6248    1.9590    2.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0918    1.3729    5.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7604    1.4512    4.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7108    2.9266    4.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6998    0.0136    3.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4814   -0.7354    0.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8255   -1.2832    1.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5894    0.5878   -1.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9129    1.6757   -1.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4399    2.4670   -0.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7626    2.6097    0.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1435    0.4079    1.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1758    1.8550    1.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -0.3299   -0.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4381    1.1262   -0.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3041    0.0879    2.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090    0.8002    2.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5270    3.9663    0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7616    4.6032   -0.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6984    3.1124   -0.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2763    0.4069    1.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1383   -1.4710    1.7057 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5971   -1.6804    2.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673   -3.6697    1.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4361   -3.4065    1.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4645   -2.5217   -1.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1728   -1.3868   -1.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415   -1.4064    0.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790   -0.0846   -0.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1575   -4.8657   -3.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0913   -4.2797   -5.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6206   -2.4617   -6.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1634   -1.2496   -4.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9324   -3.2159   -1.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0176   -2.0005   -0.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5911   -2.0630   -0.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938   -1.2968   -1.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5986    1.2467   -0.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3656    2.9428   -1.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6615    3.9814    0.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1802    3.3626    2.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  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  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 13 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
  4 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43  2  1  0
 37  8  1  0
 43 38  1  0
 26 13  1  0
 34 29  1  0
 21 16  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  3 47  1  0
  5 48  1  0
  5 49  1  0
  9 50  1  0
  9 51  1  0
 10 52  1  0
 10 53  1  0
 11 54  1  0
 11 55  1  0
 12 56  1  0
 12 57  1  0
 14 58  1  0
 14 59  1  0
 17 60  1  0
 18 61  1  0
 19 62  1  0
 21 63  1  0
 22 64  1  0
 22 65  1  0
 23 66  1  0
 23 67  1  0
 25 68  1  0
 25 69  1  0
 26 70  1  0
 26 71  1  0
 30 72  1  0
 31 73  1  0
 32 74  1  0
 33 75  1  0
 36 76  1  0
 36 77  1  0
 37 78  1  0
 37 79  1  0
 39 80  1  0
 40 81  1  0
 41 82  1  0
 42 83  1  0
M  END
$$$$
