
     RDKit          3D

 53 57  0  0  0  0  0  0  0  0999 V2000
    6.2893    0.2738    1.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2540    0.7665    0.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5092    1.8822   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5716    2.3127   -0.9280 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987    1.6416   -1.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3896    1.9808   -1.8515 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4457    1.0420   -1.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9099    0.1550   -0.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1479    0.5596   -0.2762 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0298    0.0926    0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2350   -1.0603   -0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9113   -2.2874   -0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2697   -3.4077    0.3538 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0412   -3.3947    0.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6693   -4.6138    1.1190 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7703   -2.1972    0.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1040   -1.0224    0.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1477   -2.2013    0.8970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1388   -1.6188    0.0384 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8782   -1.9305   -1.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4663   -0.1733    0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1834   -0.0381    1.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6695    1.1967    2.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3719    1.2875    3.2196 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4616    2.3296    1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7276    2.2401    0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1745    1.0171   -0.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2952    1.0705   -1.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7581    0.7329   -2.6320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9554    1.6045   -1.4248 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7262    2.8461   -0.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1021    1.0356   -2.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9126    1.1164    2.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9429   -0.4668    1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8074   -0.2077    2.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4503    2.4117    0.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7923   -0.7631    1.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9426   -2.3604   -0.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6766   -4.6444    1.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1193   -5.5008    1.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6274   -0.0860    0.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0723   -2.1887    0.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7065   -1.5395   -2.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9051   -1.5298   -1.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8428   -3.0320   -1.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3947   -0.9090    2.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625    3.2842    1.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5856    3.1404   -0.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8923    2.6682    0.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3036    3.2313   -0.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4107    3.6393   -1.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -0.0109   -2.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642    1.6258   -3.2166 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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 10  2  2  0
 17 11  1  0
 27 21  1  0
  9  5  1  0
 32  7  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  3 36  1  0
 10 37  1  0
 12 38  1  0
 15 39  1  0
 15 40  1  0
 17 41  1  0
 19 42  1  1
 20 43  1  0
 20 44  1  0
 20 45  1  0
 22 46  1  0
 25 47  1  0
 26 48  1  0
 31 49  1  0
 31 50  1  0
 31 51  1  0
 32 52  1  0
 32 53  1  0
M  END
$$$$
