
     RDKit          3D

 93 96  0  0  0  0  0  0  0  0999 V2000
    0.7673   -1.1427   -4.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3025   -0.3688   -3.5662 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6740   -0.4963   -4.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8699   -0.0844   -3.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9326    1.4242   -3.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6183    1.6893   -1.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8241    1.1428   -0.7070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5517    0.9639    0.4979 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8801   -0.5428    0.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6186   -1.0749   -0.4961 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3460   -2.5079   -0.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3490   -0.8517   -0.3159 S   0  0  0  0  0  6  0  0  0  0  0  0
   -7.0454   -1.3495   -1.5513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6761    0.6082   -0.1586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9841   -1.7216    1.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4386   -3.0337    1.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9312   -3.4380    2.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8700   -2.4486    3.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1884   -1.0674    2.6094 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7171    1.5509    1.6818 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2891    1.1672    3.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2047    1.2132    1.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4718    2.0869    0.6640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1752    3.5181    0.9380 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1778    3.8560    2.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216    4.4640    0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6422    4.6805   -1.1439 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1237    1.4914   -0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0964    2.1099   -1.5992 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8908    0.2333   -0.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9108    0.1433    0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7486   -0.9754    0.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8263   -1.0067    1.5298 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1882   -1.2460    1.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4526   -1.6433   -0.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2487   -0.9539    2.0636 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6433   -0.9896    1.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    0.0360    2.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8439    0.0318    1.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3890   -1.0214    1.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8427   -0.9960    0.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9624   -0.3680   -0.5507 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6019   -0.3122    1.6084 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3428   -2.2798    0.5741 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5410   -2.0498    0.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1815   -2.0436    0.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5238   -2.0450   -0.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4824   -1.9841   -1.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6707   -0.8451   -1.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966   -0.8451   -2.2174 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7934   -0.7970   -5.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690   -0.9645   -3.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5475   -2.2331   -4.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0023    0.6988   -3.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8325   -1.5564   -4.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6693    0.1066   -5.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8466   -0.6875   -2.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8069   -0.3711   -3.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5004    1.9380   -3.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9241    1.8817   -3.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6375    1.2436   -1.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7166    2.7869   -1.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5088    1.5340    0.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9160   -1.0836    0.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4596   -0.7202    1.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6161   -3.0854    0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9128   -2.9054   -1.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2681   -2.6666   -0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4216   -3.6780    0.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3385   -4.4240    2.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2040   -2.5470    4.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8325    2.6492    1.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0842    0.1031    3.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3826    1.3460    3.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8218    1.7880    3.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0908    0.1455    1.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7362    1.2823    2.6149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8693    3.7282    0.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5256    3.1905    2.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1728    4.9018    2.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1953    3.7657    2.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1599    5.4540    0.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1618    4.0721    0.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211    4.3146   -1.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0922    0.9717    1.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6550   -0.5882    2.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847   -0.5011    2.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0848    0.8522    2.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4635    0.8572    2.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9317   -2.8605    0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5575   -2.8670    0.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1471   -2.9286   -0.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3043   -2.8239   -1.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  2  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
  8 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 23 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  1  0
 41 43  1  0
 41 44  1  0
 40 45  1  0
 45 46  2  0
 32 47  2  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 50  2  1  0
 19 15  1  0
 49 30  1  0
 46 37  1  0
  1 51  1  0
  1 52  1  0
  1 53  1  0
  2 54  1  1
  3 55  1  0
  3 56  1  0
  4 57  1  0
  4 58  1  0
  5 59  1  0
  5 60  1  0
  6 61  1  0
  6 62  1  0
  8 63  1  6
  9 64  1  0
  9 65  1  0
 11 66  1  0
 11 67  1  0
 11 68  1  0
 16 69  1  0
 17 70  1  0
 18 71  1  0
 20 72  1  6
 21 73  1  0
 21 74  1  0
 21 75  1  0
 22 76  1  0
 22 77  1  0
 24 78  1  6
 25 79  1  0
 25 80  1  0
 25 81  1  0
 26 82  1  0
 26 83  1  0
 27 84  1  0
 31 85  1  0
 33 86  1  0
 36 87  1  0
 38 88  1  0
 39 89  1  0
 45 90  1  0
 46 91  1  0
 47 92  1  0
 48 93  1  0
M  END
$$$$
