
     RDKit          3D

 90 92  0  0  0  0  0  0  0  0999 V2000
    1.5229   -3.4581    0.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3287   -2.9249    0.1245 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9636   -3.6563    0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1008   -3.5411   -0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5934   -2.1123   -0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1900   -1.3838    0.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207   -0.5191    1.0108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7009    0.7981    1.2080 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3921    1.6591   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3845    1.4425   -1.1080 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7543    1.9274   -0.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9976    0.8674   -2.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828    0.8581   -2.7172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0393    0.3220   -3.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4314   -0.4720   -4.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5102   -1.0248   -5.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2882    0.0023   -5.9288 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9096   -1.6737   -6.4886 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3161   -1.9186   -4.7453 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0860    1.3756    2.5230 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8401    2.6431    2.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5618    1.6756    2.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3238    0.4950    2.6128 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3819   -0.3028    3.8689 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7219   -1.3696    3.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3999    0.5918    5.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6471   -0.1725    6.2780 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    0.5464    1.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484    0.6921    2.4179 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5185    0.5119    0.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2589    1.4663   -0.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540    1.3950   -1.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1636    2.3179   -2.5062 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6233    3.0205   -1.8817 S   0  0  0  0  0  6  0  0  0  0  0  0
    5.3624    3.6600   -3.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2999    4.0755   -0.8637 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6531    1.7830   -1.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9839    1.5836   -1.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4090    0.5543   -0.7183 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7684    0.0376   -0.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3517    0.1712    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2476    0.9050   -0.2339 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6541    0.3922   -2.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9281   -0.5659   -1.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8771   -0.5316   -0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1984   -1.5257    0.3849 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448   -2.9101    0.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3507   -3.3238    2.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742   -4.5364    0.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5214   -3.1200   -0.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7436   -4.7411    0.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3152   -3.3088    1.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7560   -3.9889   -1.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9589   -4.1526   -0.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7834   -1.5087   -1.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3864   -2.1958   -1.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5230   -2.1149    1.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1116   -0.8626    0.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8014    0.8003    1.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3715    1.4115   -0.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3844    2.7375    0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0296    2.6297   -1.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4626    1.0710   -0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8499    2.4763    0.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6273    1.1738   -3.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7239   -0.3411   -2.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8352   -1.3259   -4.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7507    0.1883   -5.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2855    0.6416    3.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9364    2.4645    3.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5178    2.9317    3.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6388    3.4984    2.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3343    2.2222    1.5277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2908    2.4041    3.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3370   -0.8815    3.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5873   -1.0456    4.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3242   -2.2965    4.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0720   -1.6283    2.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5856    1.0945    5.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1807    1.3813    5.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -0.3772    6.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7624    2.2588    0.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9901    2.4249   -3.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5940    2.1443   -2.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7492   -1.0520   -0.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2987    0.1912   -1.6037 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3184    0.5674    0.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3842   -0.6238    0.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    0.3352   -3.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4039   -1.3309   -2.2939 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  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 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  2  0
 34 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  2  0
 32 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46  2  1  0
 45 30  1  0
 42 37  1  0
  1 47  1  0
  1 48  1  0
  1 49  1  0
  2 50  1  6
  3 51  1  0
  3 52  1  0
  4 53  1  0
  4 54  1  0
  5 55  1  0
  5 56  1  0
  6 57  1  0
  6 58  1  0
  8 59  1  1
  9 60  1  0
  9 61  1  0
 11 62  1  0
 11 63  1  0
 11 64  1  0
 14 65  1  0
 14 66  1  0
 15 67  1  0
 15 68  1  0
 20 69  1  1
 21 70  1  0
 21 71  1  0
 21 72  1  0
 22 73  1  0
 22 74  1  0
 24 75  1  6
 25 76  1  0
 25 77  1  0
 25 78  1  0
 26 79  1  0
 26 80  1  0
 27 81  1  0
 31 82  1  0
 33 83  1  0
 38 84  1  0
 40 85  1  0
 40 86  1  0
 40 87  1  0
 41 88  1  0
 43 89  1  0
 44 90  1  0
M  END
$$$$
