
     RDKit          3D

 47 50  0  0  0  0  0  0  0  0999 V2000
    5.8900    1.4039   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1619    0.1885   -0.3588 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7385    0.0961   -0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0150    1.1519    0.2732 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6544    1.0887    0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9728   -0.0476    0.0769 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6839   -1.1001   -0.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0365   -1.0595   -0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4760   -2.2209   -1.0494 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3410   -2.9407   -1.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3333   -4.0889   -1.7429 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2153   -2.2951   -0.8172 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1638   -2.7153   -1.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1390   -2.1771   -0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0476   -2.5636    1.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875   -2.1058    2.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0201   -1.2572    1.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1108   -0.8408    0.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759   -1.3208   -0.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1488    0.0315    0.0930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0331    1.0754   -0.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8706    2.4417   -0.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7772    2.4777    0.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3582    2.3032    0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3492    2.1604    1.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9898    2.1931    0.9718 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9743    1.2616   -0.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7445    1.6400    1.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5237    2.2494   -0.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7040   -0.6270   -0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4509   -2.4981   -1.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4371   -2.3903   -2.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2253   -3.8250   -1.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2563   -3.2273    1.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9175   -2.4116    3.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7414   -0.9046    2.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2659   -1.0610   -1.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2002    0.9090   -1.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9657    1.0953   -1.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6590    3.2135   -0.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8375    2.7088    0.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9856    1.7056    1.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8325    3.4632    1.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.4018   -0.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0968    3.1895   -0.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4748    3.0098    2.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5295    1.2187    2.0234 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
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
  8  3  1  0
 19 14  2  0
 26  5  1  0
 12  7  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  0
  9 31  1  0
 13 32  1  0
 13 33  1  0
 15 34  1  0
 16 35  1  0
 17 36  1  0
 19 37  1  0
 21 38  1  0
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 22 40  1  0
 22 41  1  0
 23 42  1  0
 23 43  1  0
 24 44  1  0
 24 45  1  0
 25 46  1  0
 25 47  1  0
M  END
$$$$
