A1J4Y
  CCTOOLS-0821261018

 44 47  0  0  0  0  0  0  0  0999 V2000
   -3.6000    1.0200   -0.0140 C   0  0  0  0  0
   -7.0970   -0.3260    0.0730 C   0  0  0  0  0
    1.6270    1.0820   -0.6260 C   0  0  0  0  0
    5.4430    0.8260    0.0900 C   0  0  0  0  0
    5.1320   -1.4950   -0.8310 C   0  0  0  0  0
    7.0680   -0.8620    0.6200 C   0  0  0  0  0
    4.2000    1.2350   -0.5960 C   0  0  0  0  0
    2.8910    0.8690   -0.0290 C   0  0  0  0  0
    2.6650    0.2520    1.1890 C   0  0  0  0  0
    0.6910    0.5980    0.2390 C   0  0  0  0  0
   -0.7620    0.6140    0.0300 C   0  0  0  0  0
   -2.9590    0.0270    0.7270 C   0  0  0  0  0
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   -3.7020   -1.0370    1.2220 C   0  0  0  0  0
   -5.6420   -0.1930    0.2950 C   0  0  0  0  0
   -7.8830   -1.3290    0.5220 C   0  0  0  0  0
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    5.9040   -0.4880   -0.0180 C   0  0  0  0  0
    7.7790    0.0610    1.3670 C   0  0  0  0  0
    7.3280    1.3650    1.4780 C   0  0  0  0  0
    6.1650    1.7520    0.8450 C   0  0  0  0  0
    5.7870   -2.7300   -0.7890 F   0  0  0  0  0
    3.8440   -1.6320   -0.3020 F   0  0  0  0  0
    5.0470   -1.0570   -2.1570 F   0  0  0  0  0
    1.3420    0.0900    1.3420 N   0  0  0  0  0
   -1.5840    0.1020    0.9680 N   0  0  0  0  0
   -4.9980   -1.1160    1.0000 N   0  0  0  0  0
   -9.1490   -1.2100    0.1920 N   0  0  0  0  0
    4.2580    1.8750   -1.6290 O   0  0  0  0  0
   -1.2250    1.0900   -0.9900 O   0  0  0  0  0
   -8.1180    0.8000   -0.8190 S   0  0  0  0  0
   -3.0470    1.8600   -0.4070 H   0  0  0  0  0
    1.4390    1.5430   -1.5840 H   0  0  0  0  0
    7.4250   -1.8780    0.5380 H   0  0  0  0  0
    3.4250   -0.0490    1.8950 H   0  0  0  0  0
   -5.4900    1.6600   -0.7930 H   0  0  0  0  0
   -3.2110   -1.8090    1.7960 H   0  0  0  0  0
   -7.5030   -2.1570    1.1020 H   0  0  0  0  0
  -10.4880    0.0410   -0.8400 H   0  0  0  0  0
    8.6900   -0.2370    1.8650 H   0  0  0  0  0
    7.8870    2.0800    2.0630 H   0  0  0  0  0
    5.8150    2.7700    0.9320 H   0  0  0  0  0
    0.9110   -0.3180    2.1100 H   0  0  0  0  0
   -1.2210   -0.2150    1.8090 H   0  0  0  0  0
  1 13  1  0  0  0
  1 32  1  0  0  0
  2 31  1  0  0  0
  2 16  2  0  0  0
  3 33  1  0  0  0
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  5 23  1  0  0  0
  5 24  1  0  0  0
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  6 34  1  0  0  0
  7  8  1  0  0  0
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  8  9  2  0  0  0
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  9 35  1  0  0  0
 10 11  1  0  0  0
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 25 10  1  0  0  0
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 26 44  1  0  0  0
 27 15  1  0  0  0
 28 17  2  0  0  0
 29  7  2  0  0  0
M  END
$$$$
