A1L59
  CCTOOLS-0620250948

 44 46  0  0  0  0  0  0  0  0999 V2000
    6.0250   -2.2270    1.1250 C   0  0  0  0  0
    5.2370   -1.4470    0.0700 C   0  0  0  0  0
    5.4830   -2.0620   -1.3090 C   0  0  0  0  0
    3.4670   -1.5220    0.4600 S   0  0  0  0  0
    2.7330   -0.6840   -0.9710 C   0  0  0  0  0
    1.2520   -0.5110   -0.7470 C   0  0  0  0  0
    0.3380   -1.4360   -0.8740 N   0  0  0  0  0
   -0.8250   -0.9530   -0.6080 N   0  0  0  0  0
   -0.7110    0.3220   -0.2930 C   0  0  0  0  0
    0.6240    0.6370   -0.3680 N   0  0  0  0  0
    1.0530    1.8970   -0.0880 C   0  0  0  0  0
    2.5240    2.2110   -0.1840 C   0  0  0  0  0
    2.7540    3.5130    0.2720 F   0  0  0  0  0
    3.2460    1.3070    0.6030 F   0  0  0  0  0
    2.9380    2.1030   -1.5160 F   0  0  0  0  0
    0.1930    2.8750    0.2730 C   0  0  0  0  0
   -1.1800    2.6310    0.3750 C   0  0  0  0  0
   -1.6680    1.3610    0.0920 C   0  0  0  0  0
   -3.1070    1.0650    0.1900 C   0  0  0  0  0
   -3.5590   -0.1760   -0.0750 N   0  0  0  0  0
   -4.9140   -0.4540    0.0170 C   0  0  0  0  0
   -5.8590    0.3890    0.3500 N   0  0  0  0  0
   -6.9950   -0.2150    0.3310 N   0  0  0  0  0
   -6.8200   -1.4590   -0.0110 C   0  0  0  0  0
   -7.8970   -2.5030   -0.1500 C   0  0  0  0  0
   -5.5030   -1.6400   -0.2230 O   0  0  0  0  0
   -3.8870    1.9410    0.5110 O   0  0  0  0  0
    3.0580   -2.8830    0.4460 O   0  0  0  0  0
    3.2240   -0.7370    1.6180 O   0  0  0  0  0
    7.0890   -2.1810    0.8910 H   0  0  0  0  0
    5.8500   -1.7890    2.1070 H   0  0  0  0  0
    5.6980   -3.2670    1.1270 H   0  0  0  0  0
    5.5650   -0.4070    0.0680 H   0  0  0  0  0
    6.5470   -2.0160   -1.5430 H   0  0  0  0  0
    5.1560   -3.1020   -1.3060 H   0  0  0  0  0
    4.9220   -1.5060   -2.0600 H   0  0  0  0  0
    3.1980    0.2940   -1.0980 H   0  0  0  0  0
    2.8970   -1.2830   -1.8670 H   0  0  0  0  0
    0.5730    3.8630    0.4880 H   0  0  0  0  0
   -1.8540    3.4220    0.6660 H   0  0  0  0  0
   -2.9370   -0.8750   -0.3310 H   0  0  0  0  0
   -8.2770   -2.5000   -1.1720 H   0  0  0  0  0
   -7.4830   -3.4850    0.0800 H   0  0  0  0  0
   -8.7110   -2.2810    0.5410 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 28  2  0  0  0
  4 29  2  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 16  2  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 15  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 27  2  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 26  1  0  0  0
 25 42  1  0  0  0
 25 43  1  0  0  0
 25 44  1  0  0  0
M  END
$$$$
