
     RDKit          3D

 55 58  0  0  0  0  0  0  0  0999 V2000
    6.4321    1.0372    1.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7463    0.7190    1.2009 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.9879    2.0717    1.0676 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0663   -0.1617    2.2890 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285   -0.1384   -0.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3156   -0.4225   -0.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6811   -1.6100   -0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3427   -1.8531   -0.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6633   -0.9304   -1.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2504    0.2996   -1.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5866    0.5420   -1.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4605    1.2827   -2.4589 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5005    2.6601   -2.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9178    3.1573   -1.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4408    2.7270   -0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5362    1.2036   -0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4965    0.8412    0.7643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7013    0.2258    0.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8264   -1.1825    0.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0501   -1.7598    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1324   -0.9586   -0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0131    0.4300   -0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0732    1.2045   -0.6526 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8053    1.0221    0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7170    2.3736    0.1079 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7248   -2.0780    0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5293   -2.0765    0.1868 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5613   -2.9969    0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7889   -3.9297    1.4374 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9511   -3.9555    2.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9496   -3.0290    1.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1176   -3.0641    2.5434 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6891   -3.0265   -0.2346 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9230    1.6601    0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4526    1.5741    2.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9776    0.0761    1.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1546    2.2646    1.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9953    0.1758    3.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3010   -1.0855   -0.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2424    0.4863   -1.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -2.3299    0.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513   -1.1268   -1.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533    1.4823   -1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1486    2.8283   -1.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9183    3.2433   -2.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9115    4.2684   -1.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6167    2.8096   -2.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7860    3.1442    0.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4434    3.1792   -0.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5511    0.8267    0.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7943    0.7242   -1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1666   -2.8367    0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0678   -1.4169   -0.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1026   -4.7046    2.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2899   -3.8675   -0.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 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  2  0
 24 25  1  0
 19 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 28 33  1  0
 11  6  1  0
 24 18  1  0
 31 26  2  0
 33  8  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  3 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  7 41  1  0
  9 42  1  0
 11 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  0
 14 47  1  0
 15 48  1  0
 15 49  1  0
 16 50  1  0
 16 51  1  0
 20 52  1  0
 21 53  1  0
 30 54  1  0
 33 55  1  0
M  END
$$$$
