KEGG:C13621  Tribromobisphenol A
  -ISIS-  02240511152D
 20 21  0  0  0  0  0  0  0  0999 V2000
   11.4910   -7.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4862   -8.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000   -8.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9144   -8.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9191   -7.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2095   -6.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7696   -8.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6363   -6.9739    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.3481   -7.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167   -6.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3458   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3403   -8.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0521   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7692   -8.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7745   -7.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0628   -6.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4810   -8.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7791   -6.9566    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.1963   -9.4401    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   15.0467   -9.4542    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  8 10  1  0  0  0  0
  4  5  1  0  0  0  0
  8 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  1  2  2  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
  5  8  1  0  0  0  0
 14 17  1  0  0  0  0
  2  3  1  0  0  0  0
  1 18  1  0  0  0  0
  8  9  1  0  0  0  0
  3 19  1  0  0  0  0
  3  4  2  0  0  0  0
 13 20  1  0  0  0  0
M  END