
     RDKit          3D

118121  0  0  0  0  0  0  0  0999 V2000
   -6.7296    3.8363    0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7916    2.3094    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7696    1.9966   -1.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3728    1.7249   -0.1909 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4583    0.3712   -0.7538 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8686    0.0323   -2.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7723    0.9112   -2.9182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3568   -1.3623   -2.3023 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4397   -2.4609   -2.3257 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.8588   -2.0024   -2.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3602   -3.1415   -0.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9378   -2.8915   -0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4254   -1.7823   -1.2643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0130   -1.5479   -1.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2468   -2.5052   -1.6768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4328   -0.1717   -1.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5507   -0.0727   -0.0618 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9357    0.2757    1.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2664   -0.1594    2.3294 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8918   -1.0549    2.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1234   -0.5279    1.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7505    0.4245    2.2863 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -1.0402    0.4867 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9104   -0.7123   -0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9935    0.7705   -0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2372    1.2880   -1.2023 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9408    1.5823    0.3729 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0482    3.0298    0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7601    3.7167    1.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1921    3.2909    1.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5312    2.4511    2.4238 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8293    2.0120    2.5728 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7476    3.3136   -1.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7309    2.5397   -1.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2388    3.0597   -2.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6820    4.2709   -3.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5124    4.6949   -2.0712 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -1.5378   -1.3368 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6361   -1.2894   -1.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9978   -3.0230   -1.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7515   -3.7219   -0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4893   -5.0699    0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4785   -5.7381   -0.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7285   -5.0595   -1.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859   -3.7105   -1.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5326   -2.5925    2.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2870   -3.0117    1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8160   -3.4543    2.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3254   -2.9273    3.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9921    1.3443    1.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4854    2.8066    1.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4046    3.8850    1.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0706    3.0273    1.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4135    3.0617   -0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2594    0.9542    0.9527 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4968    1.6607    1.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8509    2.1727    2.1358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3848    4.3316   -0.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0392    4.1167    1.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7337    4.2325    0.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2065    1.8535    1.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3576    2.3402   -2.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9786    0.9083   -1.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7425    2.5072   -0.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8634    2.3948   -0.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7913   -0.3946   -0.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8428   -1.3622   -3.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1367   -3.2153   -3.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8591   -1.5184   -3.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2550   -1.2812   -1.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5448   -2.8743   -2.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0815   -2.6925   -0.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5707   -4.2304   -1.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3206   -3.7995   -0.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9279   -2.6257    0.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8311    0.0297   -2.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    0.5942   -1.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4638   -0.0513   -0.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1985   -0.9045    3.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9695   -1.6748   -0.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6674   -0.9795    0.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5616    1.1135    1.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0223    3.4605    0.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7311    4.8191    1.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1991    3.4918    2.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9332    3.6654    0.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5685    2.3280    1.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0320    2.5673   -3.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9629    4.8425   -4.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5104   -1.2024   -2.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3953   -1.5086   -1.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8319   -1.9328   -2.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7483   -0.2317   -2.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5269   -3.2209    0.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0688   -5.5912    0.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2670   -6.7758   -0.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9401   -5.5756   -2.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3802   -3.2009   -2.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2732   -2.8563    0.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2486   -2.4576    1.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5323   -4.0929    1.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4066   -3.3732    1.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5605   -4.5289    2.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4532   -3.1450    3.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5806   -4.0104    3.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2714   -2.3450    3.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2230   -2.6880    4.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1763    1.3320    2.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9227    4.8843    1.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6330    3.6464    2.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3497    3.9973    1.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2752    4.0732    1.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0736    2.8287    2.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6809    2.3637    1.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3960    2.8764   -0.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6396    2.4238   -0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1339    4.1198   -0.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3605   -0.0468    0.6749 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  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 28 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 24 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 20 46  1  0
 46 47  1  0
 46 48  1  0
 46 49  1  0
 18 50  1  0
 50 51  1  0
 51 52  1  0
 51 53  1  0
 51 54  1  0
 50 55  1  0
 55 56  1  0
 56 57  2  0
 56  4  1  0
 13  8  1  0
 37 33  1  0
 45 40  1  0
  1 58  1  0
  1 59  1  0
  1 60  1  0
  2 61  1  0
  3 62  1  0
  3 63  1  0
  3 64  1  0
  4 65  1  6
  5 66  1  0
  8 67  1  6
  9 68  1  6
 10 69  1  0
 10 70  1  0
 10 71  1  0
 11 72  1  0
 11 73  1  0
 12 74  1  0
 12 75  1  0
 16 76  1  0
 16 77  1  0
 17 78  1  0
 20 79  1  0
 23 80  1  0
 24 81  1  0
 27 82  1  0
 28 83  1  0
 29 84  1  0
 29 85  1  0
 30 86  1  0
 32 87  1  0
 35 88  1  0
 36 89  1  0
 38 90  1  6
 39 91  1  0
 39 92  1  0
 39 93  1  0
 41 94  1  0
 42 95  1  0
 43 96  1  0
 44 97  1  0
 45 98  1  0
 47 99  1  0
 47100  1  0
 47101  1  0
 48102  1  0
 48103  1  0
 48104  1  0
 49105  1  0
 49106  1  0
 49107  1  0
 50108  1  0
 52109  1  0
 52110  1  0
 52111  1  0
 53112  1  0
 53113  1  0
 53114  1  0
 54115  1  0
 54116  1  0
 54117  1  0
 55118  1  0
M  END
$$$$
