
     RDKit          3D

 68 71  0  0  0  0  0  0  0  0999 V2000
    6.5754    3.3014    0.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9646    2.0813    0.3887 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4761    0.8019    0.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6377    0.6227    1.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1210   -0.6601    1.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621   -1.7780    1.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3166   -1.6175    0.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8115   -0.3343    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793   -0.2095   -0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4479   -0.8951   -0.0930 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3833   -1.4645   -0.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4087   -1.4076   -2.1253 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -2.1020   -0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0078   -1.2393   -0.2739 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488    0.0055    0.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4406    1.2098   -0.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8317    1.7741   -1.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5570    2.8029   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0874    2.6967   -0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6395    1.6278    0.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9523    1.2468    0.2894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7112    0.2977    0.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9993    0.6586    1.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7629   -0.2139    2.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2472   -1.4581    2.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9787   -1.8459    2.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2178   -0.9949    1.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9920   -1.4653    0.8047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6410   -1.4472   -0.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5907   -1.1996   -1.4992 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3060   -1.1990   -2.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0106   -1.4726   -3.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0153   -1.7327   -2.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3109   -1.6999   -0.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2239   -2.0035    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6380    3.3431    1.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9566    4.1526    0.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5909    3.3874    0.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1727    1.4694    1.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0097   -0.7887    2.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8400   -2.7712    1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8182   -2.4960    0.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2984    0.8490   -0.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8077   -0.6650   -1.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3653   -0.8864    0.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4439   -2.3454    0.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308   -3.0652   -0.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7575    0.2314    1.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9718   -0.0841    1.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9475    2.0063    0.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1496    0.9102   -1.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5029    0.9375   -1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5494    2.2772   -1.9886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2453    3.8238   -0.4523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2577    2.6947    0.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3798    2.4712   -1.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5433    3.6751    0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9685    0.7522    0.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6743    2.0330    1.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3951    1.6339    1.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7492    0.0812    2.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8355   -2.1283    3.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5984   -2.8251    2.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0896   -0.9986   -3.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7812   -1.4896   -4.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0111   -1.9553   -2.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5567   -1.8141    1.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0598   -3.1029    0.0074 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  1  0
 11 12  2  0
 11 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  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
  8  3  1  0
 35 14  1  0
 27 22  1  0
 34 29  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  4 39  1  0
  5 40  1  0
  6 41  1  0
  7 42  1  0
  9 43  1  0
  9 44  1  0
 10 45  1  0
 13 46  1  0
 13 47  1  0
 15 48  1  0
 15 49  1  0
 16 50  1  0
 16 51  1  0
 17 52  1  0
 17 53  1  0
 18 54  1  0
 18 55  1  0
 19 56  1  0
 19 57  1  0
 20 58  1  0
 20 59  1  0
 23 60  1  0
 24 61  1  0
 25 62  1  0
 26 63  1  0
 31 64  1  0
 32 65  1  0
 33 66  1  0
 35 67  1  0
 35 68  1  0
M  END
$$$$
