
     RDKit          3D

 72 74  0  0  0  0  0  0  0  0999 V2000
   -5.5376   -3.0209   -0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4681   -2.6101   -1.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0046   -3.7511   -2.1092 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2528   -1.8714   -0.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4746   -2.7895    0.0414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0851   -3.1068   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6392   -4.1814    0.3464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1159   -2.1522   -0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1847   -0.9620    0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9145   -1.3598    1.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4680   -0.9774    2.5243 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1458   -2.0961    1.3482 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2300   -1.8645    2.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0137   -0.5968    1.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7127   -0.7445    0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4308    0.4837    0.2343 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9717    1.4572   -0.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0957    2.5112   -0.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1890    2.1309    0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6894    0.8694    0.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3082    0.2041    1.6235 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722    0.0456   -0.5674 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5476    1.4077   -0.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0205    2.1043   -1.6625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3903    2.0370    0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0512    2.0875    1.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8780    2.7468    2.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0284    3.3978    2.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3711    3.3609    0.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5887    2.6438   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0243    2.5532   -1.5373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2962    1.3108   -2.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7699    0.9193   -2.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1272    0.5751   -0.6585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1104    1.3969    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6756   -0.6415   -0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7276   -0.7215    1.2472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1317   -3.7260    0.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9524   -2.1296    0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3757   -3.5286   -0.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9565   -1.9260   -2.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7100   -4.0052   -2.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6308   -1.5428   -1.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9676   -3.2903    0.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153   -1.7834   -1.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8176   -2.6862   -1.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7961   -0.5283    0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101   -2.7811    0.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9217   -2.7384    2.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8198   -1.7691    3.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7765   -0.4107    2.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    0.2721    1.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4234   -1.5997    0.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9587   -0.9555   -0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8030    0.9622   -1.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0251    1.9284   -0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5207    2.5111   -1.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6973    3.5285   -0.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2811    2.9062    0.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1644    1.9624   -0.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8105   -0.2691   -1.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8712    1.6434    1.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6144    2.7774    3.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6577    3.9253    2.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2721    3.8575    0.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0756    1.4347   -3.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6419    0.5056   -1.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3911    1.7636   -2.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9898    0.0671   -2.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4219    2.2828   -0.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0135    0.7905    0.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6817    1.7554    1.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  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  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
  9 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  2  0
 36  4  1  0
 20 16  1  0
 30 25  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  3 42  1  0
  4 43  1  0
  5 44  1  0
  8 45  1  0
  8 46  1  0
  9 47  1  0
 12 48  1  0
 13 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 17 55  1  0
 17 56  1  0
 18 57  1  0
 18 58  1  0
 19 59  1  0
 19 60  1  0
 22 61  1  0
 26 62  1  0
 27 63  1  0
 28 64  1  0
 29 65  1  0
 32 66  1  0
 32 67  1  0
 33 68  1  0
 33 69  1  0
 35 70  1  0
 35 71  1  0
 35 72  1  0
M  END
$$$$
