M39
  CCTOOLS-0919241033

 41 44  0  0  0  0  0  0  0  0999 V2000
   -4.1230   -0.5680   -0.3910 O   0  0  0  0  0
   -3.1630    0.1690   -0.2620 C   0  0  0  0  0
   -3.3260    1.6240   -0.1930 C   0  0  0  0  0
   -4.3850    2.4970   -0.2380 C   0  0  0  0  0
   -3.8960    3.7410   -0.1230 N   0  0  0  0  0
   -2.5030    3.6940    0.0000 N   0  0  0  0  0
   -2.1110    2.4420   -0.0360 C   0  0  0  0  0
   -0.9110    1.8060    0.0350 N   0  0  0  0  0
   -1.9060   -0.3260   -0.1720 N   0  0  0  0  0
   -1.7070   -1.7110   -0.2290 C   0  0  0  0  0
   -1.4970   -2.3340   -1.4520 C   0  0  0  0  0
   -1.3010   -3.7000   -1.5050 C   0  0  0  0  0
   -1.3140   -4.4470   -0.3420 C   0  0  0  0  0
   -1.5230   -3.8300    0.8780 C   0  0  0  0  0
   -1.7130   -2.4630    0.9380 C   0  0  0  0  0
   -1.9340   -1.7900    2.2680 C   0  0  0  0  0
   -0.8260    0.5030   -0.0320 C   0  0  0  0  0
    0.7730   -0.2300    0.0700 S   0  0  0  0  0
    1.7890    1.2580    0.2470 C   0  0  0  0  0
    3.2400    0.8640    0.3550 C   0  0  0  0  0
    4.0120    0.7530   -0.7850 C   0  0  0  0  0
    5.3450    0.3920   -0.6850 C   0  0  0  0  0
    6.1020    0.2830   -1.8000 F   0  0  0  0  0
    3.7990    0.6210    1.5960 C   0  0  0  0  0
    5.1300    0.2620    1.6970 C   0  0  0  0  0
    5.9030    0.1440    0.5570 C   0  0  0  0  0
   -5.4260    2.2300   -0.3480 H   0  0  0  0  0
   -4.4290    4.5520   -0.1240 H   0  0  0  0  0
   -1.4870   -1.7510   -2.3610 H   0  0  0  0  0
   -1.1370   -4.1850   -2.4560 H   0  0  0  0  0
   -1.1600   -5.5160   -0.3860 H   0  0  0  0  0
   -1.5330   -4.4160    1.7850 H   0  0  0  0  0
   -3.0010   -1.7700    2.4920 H   0  0  0  0  0
   -1.4100   -2.3440    3.0470 H   0  0  0  0  0
   -1.5510   -0.7710    2.2270 H   0  0  0  0  0
    1.6500    1.8980   -0.6240 H   0  0  0  0  0
    1.4910    1.7970    1.1460 H   0  0  0  0  0
    3.5760    0.9460   -1.7540 H   0  0  0  0  0
    3.1960    0.7130    2.4870 H   0  0  0  0  0
    5.5660    0.0720    2.6670 H   0  0  0  0  0
    6.9430   -0.1380    0.6360 H   0  0  0  0  0
  2  1  2  0  0  0
  3  2  1  0  0  0
  4  3  2  0  0  0
  4 27  1  0  0  0
  5  4  1  0  0  0
  5 28  1  0  0  0
  6  5  1  0  0  0
  6  7  2  0  0  0
  7  3  1  0  0  0
  8  7  1  0  0  0
  8 17  2  0  0  0
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  9 10  1  0  0  0
 10 11  2  0  0  0
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 11 12  1  0  0  0
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 25 24  2  0  0  0
 25 40  1  0  0  0
 26 22  2  0  0  0
 26 25  1  0  0  0
 26 41  1  0  0  0
M  END
$$$$
