A1I94
  CCTOOLS-0410261002

 24 24  0  0  0  0  0  0  0  0999 V2000
    5.1430   -0.8960    0.9070 C   0  0  0  0  0
    4.5710   -0.5160   -0.4600 C   0  0  0  0  0
    3.1840    0.0470   -0.2850 C   0  0  0  0  0
    1.6520    1.6280    0.0300 C   0  0  0  0  0
    0.7930    0.5810   -0.0430 C   0  0  0  0  0
   -0.6680    0.6500    0.0720 C   0  0  0  0  0
   -3.5770    0.5650   -1.3380 C   0  0  0  0  0
    2.9120    1.2990   -0.1050 N   0  0  0  0  0
   -1.4050   -0.4740   -0.0210 N   0  0  0  0  0
   -1.2130    1.7230    0.2500 O   0  0  0  0  0
   -3.2770    0.3410    1.3040 O   0  0  0  0  0
   -3.4800   -1.7460   -0.0090 O   0  0  0  0  0
    1.7470   -0.8780   -0.3060 S   0  0  0  0  0
   -3.0540   -0.3960    0.1090 S   0  0  0  0  0
    4.5030   -1.6460    1.3730 H   0  0  0  0  0
    6.1460   -1.3030    0.7810 H   0  0  0  0  0
    5.1870   -0.0110    1.5420 H   0  0  0  0  0
    5.2110    0.2340   -0.9260 H   0  0  0  0  0
    4.5270   -1.4010   -1.0950 H   0  0  0  0  0
    1.3250    2.6460    0.1840 H   0  0  0  0  0
   -3.1180    1.5540   -1.3030 H   0  0  0  0  0
   -3.2640    0.0520   -2.2470 H   0  0  0  0  0
   -4.6620    0.6680   -1.3340 H   0  0  0  0  0
   -0.9700   -1.3290   -0.1630 H   0  0  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  1  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  2  1  0  0  0
  3 13  1  0  0  0
  4  8  1  0  0  0
  4 20  1  0  0  0
  5  4  2  0  0  0
  6  5  1  0  0  0
  7 14  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8  3  2  0  0  0
  9  6  1  0  0  0
  9 24  1  0  0  0
 10  6  2  0  0  0
 11 14  2  0  0  0
 12 14  2  0  0  0
 13  5  1  0  0  0
 14  9  1  0  0  0
M  END
$$$$
