
     RDKit          3D

 64 68  0  0  0  0  0  0  0  0999 V2000
   -1.4213    1.2833   -2.4560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8449    1.4864   -1.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241    2.1218   -0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5148    1.1603    0.3279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9178    1.2568    0.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5703    2.5040    0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9629    2.5726    0.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7215    1.4041    0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0923    0.1588    0.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6907    0.0652    0.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0348   -1.3107    0.4779 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2702   -1.5519   -0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1926   -2.6370   -0.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2933   -2.4313    0.4501 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1584   -2.5975    1.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2052   -1.4826    1.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7477   -1.1193    0.4526 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5328   -1.0821   -0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0661    0.3686   -0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6237    0.4423    0.0073 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3324   -0.3916   -0.9904 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5970   -1.3474   -0.2707 S   0  0  0  0  0  6  0  0  0  0  0  0
    5.1372   -2.2829   -1.3154 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0463   -2.1629    0.8671 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9380   -0.2910    0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1126   -1.0576    0.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9214   -0.5401    2.1425 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8087    0.2044    1.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0491    1.9063   -0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6427    2.4670   -1.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4841    1.7008   -2.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5547    1.1736   -1.2219 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9411    2.4982    0.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1645    2.9917   -0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0123    3.4290    0.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4552    3.5361    0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8004    1.4629    0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7029   -0.7344    0.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8220   -2.0975    0.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7890   -0.6305   -1.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0036   -1.8419   -1.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5774   -2.6133   -1.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6760   -3.6380   -0.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141   -3.2303    0.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6634   -3.5888    1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110   -2.5564    2.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6851   -0.5445    2.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8983   -1.7087    2.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234   -1.7365    0.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4855   -1.4344   -1.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6923    0.8285    0.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8909    0.1421    1.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6980   -1.0531   -1.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2329    0.4973   -0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9896   -2.1633    0.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0846   -0.7218    0.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8894   -0.1197    2.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0014    1.2957    1.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5758    2.5229    0.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1476    2.0039   -0.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5205    2.4400   -2.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3529    3.5339   -1.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8834    0.8570   -2.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9638    2.3833   -2.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  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
 14 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  2  0
 22 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 20 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32  2  1  0
 10  5  1  0
 16 11  1  0
 32 19  1  0
 28 25  1  0
  3 33  1  0
  3 34  1  0
  6 35  1  0
  7 36  1  0
  8 37  1  0
  9 38  1  0
 11 39  1  1
 12 40  1  0
 12 41  1  0
 13 42  1  0
 13 43  1  0
 14 44  1  1
 15 45  1  0
 15 46  1  0
 16 47  1  0
 16 48  1  0
 18 49  1  0
 18 50  1  0
 19 51  1  0
 20 52  1  1
 21 53  1  0
 25 54  1  0
 26 55  1  0
 26 56  1  0
 28 57  1  0
 28 58  1  0
 29 59  1  0
 29 60  1  0
 30 61  1  0
 30 62  1  0
 31 63  1  0
 31 64  1  0
M  END
$$$$
