
     RDKit          3D

102102  0  0  0  0  0  0  0  0999 V2000
    2.0890   -3.6858   -2.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7270   -2.2874   -2.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2536   -2.4259   -2.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172   -1.3734   -1.2065 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6639   -2.0655    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -2.1680    0.4455 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6997   -2.7385    0.8636 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3578   -2.2956    1.1099 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0674   -2.3528    2.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0515   -1.3805    3.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3180   -2.0440    3.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6092   -3.1852    0.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3347   -4.4083    0.2273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9003   -2.7015   -0.0590 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0744   -3.3604    0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095   -1.6252   -1.0725 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5579   -2.1199   -2.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5844   -3.1027   -3.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9693   -2.7298   -2.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7228   -0.4190   -0.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7277    0.0645   -1.1024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2102    0.1915    0.6400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6609    1.4349    1.2035 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1857    1.4088    1.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5876    0.0747    2.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5756    2.5526    2.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2307    2.6024    0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6359    3.7656    0.5820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3218    2.4162   -0.7735 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8865    2.5605   -2.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1533    2.3235   -0.6108 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9017    3.6424   -1.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3799    4.8994   -0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9527    3.8944   -2.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5840    1.8964    0.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2076    2.5537    1.7862 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    0.7987    0.9650 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8719    0.8720    1.1152 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2960    2.1082    1.9869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7584    1.9463    3.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8150    2.3392    2.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5259    0.7217   -0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6758    1.1868   -0.4593 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8891   -0.0046   -1.3283 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7974    0.7017   -2.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2020   -4.2208   -3.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5678   -4.2961   -1.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0131   -3.6076   -2.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3325   -1.8295   -3.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4870   -2.8593   -3.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6883   -3.0976   -1.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7744   -1.4445   -2.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2199   -1.2664   -1.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2324   -1.2567    0.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2569   -3.3834    2.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9712   -1.5654    2.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7266   -0.3319    2.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3060   -1.5154    4.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7178   -1.0399    3.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1051   -2.8084    3.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0665   -2.0645    4.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1476   -4.4003    0.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9830   -3.4088    1.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0067   -2.8152    0.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9941   -1.2436   -1.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6090   -1.2340   -3.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6521   -2.5797   -3.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172   -3.5270   -4.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3464   -3.9424   -2.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9573   -3.7567   -1.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3586   -2.8196   -3.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6792   -2.0939   -1.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.5498    2.1624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7902    1.5314    0.6321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4035   -0.7791    1.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6746    0.0674    2.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0087   -0.0835    3.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9054    2.5771    3.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6212    2.4273    2.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5418    3.5352    2.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9173    2.1531   -2.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2749    2.0149   -2.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9637    3.6368   -2.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5059    1.5151   -1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9628    3.5158   -0.6961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4702    4.8024    0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9953    5.7756   -0.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789    5.1046   -0.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8362    4.5318   -2.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0568    4.4389   -2.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410    2.9494   -3.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940   -0.0192    1.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8546    3.0324    1.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7496    2.9351    3.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4019    1.2440    4.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7284    1.5358    3.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1828    2.8620    1.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3501    1.3777    2.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667    3.0103    2.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5927    0.3563   -3.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8043    0.5332   -3.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350    1.7944   -2.4830 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  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 16 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 23 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 31 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 38 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
 44  4  1  0
  1 46  1  0
  1 47  1  0
  1 48  1  0
  2 49  1  0
  3 50  1  0
  3 51  1  0
  3 52  1  0
  4 53  1  1
  8 54  1  6
  9 55  1  0
 10 56  1  0
 10 57  1  0
 10 58  1  0
 11 59  1  0
 11 60  1  0
 11 61  1  0
 15 62  1  0
 15 63  1  0
 15 64  1  0
 16 65  1  6
 17 66  1  0
 18 67  1  0
 18 68  1  0
 18 69  1  0
 19 70  1  0
 19 71  1  0
 19 72  1  0
 23 73  1  1
 24 74  1  0
 25 75  1  0
 25 76  1  0
 25 77  1  0
 26 78  1  0
 26 79  1  0
 26 80  1  0
 30 81  1  0
 30 82  1  0
 30 83  1  0
 31 84  1  6
 32 85  1  0
 33 86  1  0
 33 87  1  0
 33 88  1  0
 34 89  1  0
 34 90  1  0
 34 91  1  0
 38 92  1  1
 39 93  1  0
 40 94  1  0
 40 95  1  0
 40 96  1  0
 41 97  1  0
 41 98  1  0
 41 99  1  0
 45100  1  0
 45101  1  0
 45102  1  0
M  END
$$$$
