
     RDKit          3D

 92 96  0  0  0  0  0  0  0  0999 V2000
    1.6368    1.7907    0.1277 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7429    1.6547   -1.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9476    2.5400   -2.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4836    2.6270   -1.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8511    3.5313   -0.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1689    3.5799   -0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1569    2.7215   -0.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7855    1.8104   -1.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4490    1.7589   -2.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    0.8482   -2.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2720   -0.1386   -1.2796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1692   -1.0253   -0.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5029   -1.6221    0.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7688   -0.7839    1.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0522   -1.3316    2.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0635   -2.7200    3.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7987   -3.5615    1.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5255   -3.0168    0.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3957   -0.9293   -1.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3949   -1.2687   -0.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4484   -2.4473   -0.3390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2789   -0.2806   -0.2471 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4607    1.0416   -0.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2150    1.9880    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3645    2.3970    1.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4369    3.6083    1.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9360    3.2734    1.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4996    2.7685   -0.2246 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6685    0.7041   -1.6617 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4108   -0.2098   -0.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4492   -1.0130   -1.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3117   -1.9701   -0.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4744   -3.2153   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069   -4.2567    0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -3.6292    1.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1538   -2.1958    1.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8436   -1.2866    0.4910 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8919   -0.2691    0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2935   -0.8282   -0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2235    0.3157    0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5505    1.0289    1.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0501    0.7604    1.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4047    3.5522   -2.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9941    2.1507   -3.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1033    4.1853   -0.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3877    4.3074    0.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1599    1.0399   -2.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3584    0.3235   -3.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6386    1.4616   -2.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9314   -1.8139   -1.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2221   -0.4620   -0.6685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7516    0.2924    1.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2541   -0.6804    3.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2680   -3.1453    4.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8045   -4.6395    2.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3278   -3.6827   -0.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0401   -1.8649   -2.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9428   -0.3673   -2.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8692   -0.5539    0.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4779    1.4853   -1.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0305    0.9334   -1.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5282    2.8943   -0.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1507    1.4910    0.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7892    1.5279    1.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0764    2.6906    2.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6810    4.1067    0.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6208    4.3766    1.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4118    4.2231    1.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7077    2.5345    1.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8229    0.6829   -2.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6888   -0.8998   -0.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276    0.3846   -0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9203   -1.5991   -2.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1026   -0.3079   -2.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1606   -2.3264   -1.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230   -2.9047    0.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0473   -3.6936   -1.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6464   -4.8048    1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113   -4.9959   -0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7105   -4.2486    2.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3855   -3.6381    0.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9967   -1.8272    2.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2616   -2.2357    2.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6077    0.3215   -0.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4208   -1.1251   -1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5479   -1.6856    0.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3207    1.0126   -0.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291   -0.0570    0.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7677    2.1202    1.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9223    0.6120    2.4148 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5066    1.6957    1.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6408    0.4044    2.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 11 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
  2 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  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
  9  4  1  0
 18 13  1  0
 37 32  1  0
 42 38  1  0
 28  7  1  0
  3 43  1  0
  3 44  1  0
  5 45  1  0
  6 46  1  0
  9 47  1  0
 10 48  1  0
 10 49  1  0
 12 50  1  0
 12 51  1  0
 14 52  1  0
 15 53  1  0
 16 54  1  0
 17 55  1  0
 18 56  1  0
 19 57  1  0
 19 58  1  0
 22 59  1  0
 23 60  1  0
 23 61  1  0
 24 62  1  0
 24 63  1  0
 25 64  1  0
 25 65  1  0
 26 66  1  0
 26 67  1  0
 27 68  1  0
 27 69  1  0
 29 70  1  0
 30 71  1  0
 30 72  1  0
 31 73  1  0
 31 74  1  0
 32 75  1  0
 33 76  1  0
 33 77  1  0
 34 78  1  0
 34 79  1  0
 35 80  1  0
 35 81  1  0
 36 82  1  0
 36 83  1  0
 38 84  1  0
 39 85  1  0
 39 86  1  0
 40 87  1  0
 40 88  1  0
 41 89  1  0
 41 90  1  0
 42 91  1  0
 42 92  1  0
M  END
$$$$
