83X
  CCTOOLS-0919241031

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.5530    0.0000   -0.0300 C   0  0  0  0  0
    0.1550   -1.2160    0.0110 C   0  0  0  0  0
    1.5360   -1.2050    0.0470 C   0  0  0  0  0
    2.2270    0.0010    0.0450 C   0  0  0  0  0
    1.5370    1.2060    0.0050 C   0  0  0  0  0
    0.1560    1.2160   -0.0320 C   0  0  0  0  0
   -0.5170   -2.3940    0.0140 O   0  0  0  0  0
   -0.5150    2.3940   -0.0710 O   0  0  0  0  0
    3.5830    0.0010    0.0820 O   0  0  0  0  0
   -2.5870   -0.0010   -1.1450 O   0  0  0  0  0
   -2.0130   -0.0000   -0.0750 C   0  0  0  0  0
   -2.8070    0.0000    1.2060 C   0  0  0  0  0
    2.0810   -2.1370    0.0790 H   0  0  0  0  0
    2.0830    2.1380    0.0030 H   0  0  0  0  0
   -0.6880   -2.7520   -0.8680 H   0  0  0  0  0
   -0.7330    2.7520    0.8000 H   0  0  0  0  0
    4.0000   -0.0150   -0.7910 H   0  0  0  0  0
   -2.9220   -1.0230    1.5620 H   0  0  0  0  0
   -2.2830    0.5900    1.9580 H   0  0  0  0  0
   -3.7900    0.4350    1.0240 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 13  1  0  0  0
  4  9  1  0  0  0
  5  4  1  0  0  0
  5 14  1  0  0  0
  6  5  2  0  0  0
  7  2  1  0  0  0
  7 15  1  0  0  0
  8  6  1  0  0  0
  8 16  1  0  0  0
  9 17  1  0  0  0
 10 11  2  0  0  0
 11  1  1  0  0  0
 11 12  1  0  0  0
 12 18  1  0  0  0
 12 19  1  0  0  0
 12 20  1  0  0  0
M  END
$$$$