
     RDKit          3D

 48 52  0  0  0  0  0  0  0  0999 V2000
    5.1137    0.2656   -0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7454    0.8737   -0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6243    2.2336   -0.0719 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    2.8460   -0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3032    4.2397   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0397    4.8421    0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1221    4.0578    0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0311    2.6577   -0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    2.0591   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3766    0.7108   -0.0214 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5756    0.0827   -0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048   -1.3580   -0.0853 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3615   -2.1438   -0.0093 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6642   -3.5792    0.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6716   -2.1511   -1.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6580   -2.2829   -1.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7212   -2.4313   -0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8735   -1.3965   -0.6393 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0653   -1.8558    0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9930   -0.7677    0.6041 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4895    0.5212    0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2023    1.3421    1.6027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1482    0.8610    0.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4114    2.0191    0.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2489    1.8106   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3015    0.6166   -0.6693 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4233    0.0040   -0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2283   -0.3381   -1.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2699   -0.3795    0.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8920    1.0581   -0.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1937    4.8560   -0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9598    5.9209    0.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893    4.5441    0.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5181   -1.8594   -0.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7160   -1.6825    0.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3164   -4.0839   -0.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7205   -4.1566    0.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1799   -3.5745    1.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3084   -2.0726   -2.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990   -2.3017   -2.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1443   -3.4521   -0.6259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3071   -2.3882    0.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -1.3700   -1.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6756   -2.2750    1.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6245   -2.6673   -0.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9994   -0.9918    0.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6683    2.8784    1.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6134    0.2585   -1.3625 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 11  2  1  0
 27 18  1  0
  9  4  1  0
 27 23  2  0
 25  8  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  5 31  1  0
  6 32  1  0
  7 33  1  0
 12 34  1  0
 13 35  1  1
 14 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  0
 16 40  1  0
 17 41  1  0
 17 42  1  0
 18 43  1  6
 19 44  1  0
 19 45  1  0
 20 46  1  0
 24 47  1  0
 26 48  1  0
M  END
$$$$
