HMDB0062395
     RDKit          3D
4-Bromo-3,5-cyclohexadiene-1,2-dione
 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.7113    0.3184    0.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4732    0.1777    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8692   -1.1524   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4475   -1.3268   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3267   -0.1504   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2253   -0.4007   -0.0222 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8396    1.0873    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5985    1.3619    0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0938    2.4944    0.0271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4969   -2.0485   -0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9043   -2.3197   -0.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995    1.9588    0.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8  2  1  0
  3 10  1  0
  4 11  1  0
  7 12  1  0
M  END