A1J1F
  CCTOOLS-0828261229

 31 33  0  0  0  0  0  0  0  0999 V2000
   -3.1210    0.3650    0.0890 C   0  0  0  0  0
   -3.7100    1.6350    0.0950 C   0  0  0  0  0
   -2.8850    2.7420    0.0150 C   0  0  0  0  0
   -1.5150    2.5680   -0.0690 C   0  0  0  0  0
   -1.7200    0.2690    0.0070 C   0  0  0  0  0
    0.7260   -0.8390   -0.2680 C   0  0  0  0  0
    5.0810    0.2640    1.4100 C   0  0  0  0  0
    5.5270    0.4720    0.1070 C   0  0  0  0  0
    4.6910    0.3090   -0.9550 C   0  0  0  0  0
    3.3580   -0.0760   -0.7380 C   0  0  0  0  0
    1.5710   -0.6730    0.8080 C   0  0  0  0  0
   -3.4280   -1.9450    0.1710 O   0  0  0  0  0
   -3.9520   -0.8480    0.1730 C   0  0  0  0  0
   -5.2930   -0.7420    0.2510 O   0  0  0  0  0
   -0.9780    1.3640   -0.0740 N   0  0  0  0  0
   -0.9480   -1.3150    0.0030 S   0  0  0  0  0
    1.1840   -0.6270   -1.5750 C   0  0  0  0  0
    2.4690   -0.2550   -1.8130 C   0  0  0  0  0
    2.9030   -0.2880    0.5880 C   0  0  0  0  0
    3.7960   -0.1090    1.6590 C   0  0  0  0  0
   -4.7820    1.7470    0.1610 H   0  0  0  0  0
   -3.3080    3.7360    0.0170 H   0  0  0  0  0
   -0.8730    3.4340   -0.1320 H   0  0  0  0  0
    5.7640    0.4010    2.2350 H   0  0  0  0  0
    6.5520    0.7680   -0.0630 H   0  0  0  0  0
    5.0520    0.4750   -1.9600 H   0  0  0  0  0
    1.2110   -0.8380    1.8120 H   0  0  0  0  0
   -5.7960   -1.5660    0.3040 H   0  0  0  0  0
    0.5060   -0.7630   -2.4050 H   0  0  0  0  0
    2.8060   -0.0950   -2.8260 H   0  0  0  0  0
    3.4630   -0.2680    2.6750 H   0  0  0  0  0
  1 13  1  0  0  0
  1  5  2  0  0  0
  2  1  1  0  0  0
  2 21  1  0  0  0
  3  2  2  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4 15  2  0  0  0
  4 23  1  0  0  0
  5 16  1  0  0  0
  6 11  2  0  0  0
  6 17  1  0  0  0
  7  8  2  0  0  0
  7 24  1  0  0  0
  8 25  1  0  0  0
  9  8  1  0  0  0
  9 26  1  0  0  0
 10  9  2  0  0  0
 11 19  1  0  0  0
 11 27  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 28  1  0  0  0
 15  5  1  0  0  0
 16  6  1  0  0  0
 17 18  2  0  0  0
 17 29  1  0  0  0
 18 10  1  0  0  0
 18 30  1  0  0  0
 19 20  2  0  0  0
 19 10  1  0  0  0
 20  7  1  0  0  0
 20 31  1  0  0  0
M  END
$$$$
