
     RDKit          3D

 83 87  0  0  0  0  0  0  0  0999 V2000
   11.4289    1.7497    1.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0421    1.6424    2.2969 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1002    0.9912    1.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4624    0.3031    0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4843   -0.3135   -0.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1329   -0.2463   -0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1905   -0.8414   -0.9705 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7749   -0.7570   -0.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600   -1.8123    0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416   -1.5939    0.4421 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8211   -1.7837   -0.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0941   -2.3662   -1.6359 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4434   -1.2204   -0.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4340    0.2771   -0.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7905    0.9718   -0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8012    1.3808    1.0376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9399    1.1650   -0.9922 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9709    2.1535   -0.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6650    2.6630   -1.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5965    3.8199   -1.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9882    3.6749   -1.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8408    4.7573   -1.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3138    5.9915   -1.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9322    6.1458   -1.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0758    5.0674   -1.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9361    1.5849    0.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0897    2.1892    1.4519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6138    0.3345    0.1513 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8368    0.2449   -0.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4745   -1.0879   -0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8215   -1.5088    1.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4797   -0.7730    1.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3154   -1.6647    0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1332   -2.7354    1.5785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9775   -3.5303    1.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7924   -4.1965    2.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6512   -4.9653    3.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3189   -5.0910    2.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1428   -4.4601    0.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0018   -3.6890    0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1785   -3.1631   -0.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9102   -3.7985   -1.5016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5413   -1.9504   -1.1284 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7729    0.4272    1.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7529    1.0380    1.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5676    2.2649    1.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8902    0.7421    1.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9279    2.3471    2.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4952    0.2402   -0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7771   -0.8306   -1.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4743    0.2662   -0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3194   -0.9408   -1.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4100   -2.8322   -0.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308   -1.7461    1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5688   -1.2433    1.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1991   -1.3227    0.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5097    0.4162   -1.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    0.7732   -0.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9776    0.6648   -1.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4628    3.0331   -0.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8862    3.0142   -2.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1908    1.8372   -2.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4138    2.7322   -2.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9098    4.6416   -1.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9720    6.8318   -1.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5257    7.1044   -0.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0072    5.2077   -1.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6101    0.2670   -1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5206    1.0784   -0.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5777   -0.9991   -0.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2424   -1.8400   -1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4533   -1.1637    1.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7171   -2.6143    1.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2911   -0.3963    2.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3974   -1.0456    0.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5251   -2.0636   -0.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5316   -4.0979    3.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192   -5.4627    4.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2033   -5.6896    2.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8918   -4.5944    0.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6930   -1.6593   -2.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7423    0.4946    1.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    1.5615    2.7621 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  1  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  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 18 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
  6 44  1  0
 44 45  2  0
 45  3  1  0
 43 13  1  0
 25 20  1  0
 32 28  1  0
 40 35  1  0
  1 46  1  0
  1 47  1  0
  1 48  1  0
  4 49  1  0
  5 50  1  0
  8 51  1  0
  8 52  1  0
  9 53  1  0
  9 54  1  0
 10 55  1  0
 13 56  1  0
 14 57  1  0
 14 58  1  0
 17 59  1  0
 18 60  1  0
 19 61  1  0
 19 62  1  0
 21 63  1  0
 22 64  1  0
 23 65  1  0
 24 66  1  0
 25 67  1  0
 29 68  1  0
 29 69  1  0
 30 70  1  0
 30 71  1  0
 31 72  1  0
 31 73  1  0
 32 74  1  0
 33 75  1  0
 33 76  1  0
 36 77  1  0
 37 78  1  0
 38 79  1  0
 39 80  1  0
 43 81  1  0
 44 82  1  0
 45 83  1  0
M  END
$$$$
