A1JA8
  CCTOOLS-0501261012

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.2350   -0.4470   -0.0010 C   0  0  0  0  0
   -0.9880    0.3290   -0.0040 C   0  0  0  0  0
   -0.8630    1.6850    0.0010 C   0  0  0  0  0
    1.2240    0.9300   -0.0020 C   0  0  0  0  0
    2.6020    0.7570    0.0040 C   0  0  0  0  0
    3.1370   -0.5140    0.0050 C   0  0  0  0  0
    2.3120   -1.6280    0.0010 C   0  0  0  0  0
    0.9420   -1.4760   -0.0040 C   0  0  0  0  0
    0.3920   -0.1990   -0.0050 C   0  0  0  0  0
   -2.1950   -1.6630   -0.0000 O   0  0  0  0  0
    0.4310    2.0220   -0.0040 O   0  0  0  0  0
   -3.4240    0.1880    0.0060 O   0  0  0  0  0
   -1.6860    2.3840    0.0070 H   0  0  0  0  0
    3.2550    1.6180    0.0070 H   0  0  0  0  0
    4.2100   -0.6420    0.0090 H   0  0  0  0  0
    2.7450   -2.6180    0.0020 H   0  0  0  0  0
    0.3000   -2.3440   -0.0080 H   0  0  0  0  0
   -4.2170   -0.3660    0.0070 H   0  0  0  0  0
  1 12  1  0  0  0
  2  3  2  0  0  0
  2  1  1  0  0  0
  3 13  1  0  0  0
  4  9  1  0  0  0
  4 11  1  0  0  0
  5  4  2  0  0  0
  5 14  1  0  0  0
  6  7  2  0  0  0
  6  5  1  0  0  0
  6 15  1  0  0  0
  7  8  1  0  0  0
  7 16  1  0  0  0
  8  9  2  0  0  0
  8 17  1  0  0  0
  9  2  1  0  0  0
 10  1  2  0  0  0
 11  3  1  0  0  0
 12 18  1  0  0  0
M  END
$$$$
