
     RDKit          3D

 93 96  0  0  0  0  0  0  0  0999 V2000
   -1.6380   -0.1704   -1.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1918   -0.7791   -0.2408 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2743   -0.4704    0.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445   -0.7751    0.7297 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5642   -2.1874    0.5707 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7092   -2.8750    1.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8626   -2.3273   -0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7597   -1.6285   -1.4483 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0974    0.2214    1.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4873    0.2497    2.3451 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    1.1820    0.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9979    1.0190   -0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5880    1.8901   -1.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9516    1.7262   -1.5734 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9894    1.1602   -0.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8356    1.0552    0.4885 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2333    0.7814   -1.3660 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1744   -0.1106   -0.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5430    0.0514   -0.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -0.8130   -0.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0492   -1.8732    0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0472   -2.7788    1.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2618   -2.7762    0.4341 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2468   -2.3407    2.3967 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5702   -4.0798    1.1352 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6742   -2.0366    0.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7446   -1.1713    0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8099    2.9023   -1.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4937    3.1025   -1.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9246    2.2869   -0.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3528    2.5697    0.2270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8136    3.8942    0.5302 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4517    4.2460    1.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3152    4.0585    0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3524    4.0343    1.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6434    2.6468    1.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4774    1.7459    0.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6457    1.1460    0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6267   -0.2739    0.0793 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6885   -0.8644   -0.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0426   -0.5100   -0.4012 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9617   -0.2750   -1.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7019   -1.7276    0.6757 S   0  0  0  0  0  6  0  0  0  0  0  0
   -5.6037   -2.4384    1.4208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5858   -1.0446    1.6850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6517   -2.9292   -0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0356   -2.9643   -0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5086   -4.0189   -1.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5013   -4.8046   -1.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0156   -4.1853   -1.1110 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2799   -0.4440   -2.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6242   -0.5663   -1.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5792    0.9355   -1.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2374   -1.8809   -0.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6255   -1.0364    1.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3858    0.5974    1.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138   -2.7400    0.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2459   -2.8322    2.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5076   -2.3944    2.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9740   -3.9452    1.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0401   -3.4064   -0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7272   -1.9522    0.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6224   -1.7569   -1.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5654    0.1909    0.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2145    2.0722   -2.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4820    1.2013   -2.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8915    0.8591   -1.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5273   -0.6494   -0.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3189   -2.8337    1.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6915   -1.3415    0.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2343    3.5589   -2.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9260    3.8944   -1.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2729    4.6340   -0.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9180    3.5359    2.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6498    4.1887    2.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7733    5.2816    2.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5902    3.3223   -0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4259    5.0490   -0.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3082    4.4569    0.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0424    4.7237    2.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2268    2.8052    2.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7066    2.1377    2.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0457    1.0277    1.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2498    2.3484    0.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8487   -0.6490    1.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5747   -1.9691   -0.9597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5070   -0.4467   -1.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6371    0.6215   -2.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9853   -0.0725   -1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9889   -1.1494   -2.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6844   -2.2520    0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5617   -4.2005   -1.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6506   -5.6634   -2.2500 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
  5  7  1  0
  7  8  1  0
  4  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 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  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 21 26  1  0
 26 27  2  0
 13 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 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
 41 43  1  0
 43 44  2  0
 43 45  2  0
 43 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 39  2  1  0
 50 46  1  0
 30 11  1  0
 27 18  1  0
  1 51  1  0
  1 52  1  0
  1 53  1  0
  2 54  1  6
  3 55  1  0
  3 56  1  0
  5 57  1  6
  6 58  1  0
  6 59  1  0
  6 60  1  0
  7 61  1  0
  7 62  1  0
  8 63  1  0
 12 64  1  0
 14 65  1  0
 17 66  1  0
 19 67  1  0
 20 68  1  0
 26 69  1  0
 27 70  1  0
 28 71  1  0
 29 72  1  0
 32 73  1  6
 33 74  1  0
 33 75  1  0
 33 76  1  0
 34 77  1  0
 34 78  1  0
 35 79  1  0
 35 80  1  0
 36 81  1  0
 36 82  1  0
 37 83  1  0
 37 84  1  0
 39 85  1  1
 40 86  1  0
 40 87  1  0
 42 88  1  0
 42 89  1  0
 42 90  1  0
 47 91  1  0
 48 92  1  0
 49 93  1  0
M  END
$$$$
