DIJ
  CCTOOLS-0919241043

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.7620    1.0100   -0.6540 C   0  0  0  0  0
    1.3970   -0.2140   -0.5590 C   0  0  0  0  0
    2.8810   -0.3140   -0.8020 C   0  0  0  0  0
    3.6290   -0.1120    0.5170 C   0  0  0  0  0
    5.1130   -0.2120    0.2730 C   0  0  0  0  0
   -3.1850    0.0980    0.2060 BR  0  0  0  0  0
   -1.3240   -0.0280   -0.1000 C   0  0  0  0  0
   -0.6900   -1.2550   -0.0160 C   0  0  0  0  0
   -0.5980    1.1040   -0.4250 C   0  0  0  0  0
    0.6710   -1.3460   -0.2400 C   0  0  0  0  0
    5.8420    0.6890    0.6110 O   0  0  0  0  0
    1.3300    1.8950   -0.9030 H   0  0  0  0  0
    3.1170   -1.2990   -1.2070 H   0  0  0  0  0
    3.1850    0.4530   -1.5140 H   0  0  0  0  0
    3.3930    0.8730    0.9210 H   0  0  0  0  0
    3.3250   -0.8790    1.2290 H   0  0  0  0  0
    5.5230   -1.0900   -0.2030 H   0  0  0  0  0
   -1.2590   -2.1410    0.2250 H   0  0  0  0  0
   -1.0930    2.0610   -0.4990 H   0  0  0  0  0
    1.1650   -2.3040   -0.1750 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4  3  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5  4  1  0  0  0
  5 17  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 10  1  0  0  0
  8 18  1  0  0  0
  9  1  2  0  0  0
  9 19  1  0  0  0
 10  2  2  0  0  0
 10 20  1  0  0  0
 11  5  2  0  0  0
M  END
$$$$