ACROSORGANICS-ZINC00039104
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0070    1.3550    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0300   -0.0360    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2450   -0.7290    0.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4490   -0.0340    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    1.3720   -0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1950    2.0830   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1630    3.5910   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2710    4.1880   -0.3490 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7770   -0.7240   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -1.5400   -0.9910 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1730   -2.6130    0.4400 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9460    1.8800    0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9080   -0.5670    0.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3440    1.9200   -0.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230    4.1530   -0.1030 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230   -0.4180    0.8620 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
M  CHG  1   8  -1
M  CHG  1  10  -1
M  END