CHEMBRIDGE-ZINC01230019
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 22 23  0  0  0  0  0  0  0  0999 V2000
    2.9640    1.8570   -2.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0010    0.5050   -2.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350   -0.2510   -1.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8240    0.8160    0.1180 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8710    2.1990   -0.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540   -1.7140   -1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0340   -2.3570   -2.2550 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830   -2.3500   -0.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0140   -3.7020   -0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8860   -4.5080   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0210   -5.8830   -0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2790   -6.4570   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4050   -5.6560   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2760   -4.2800   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8160   -3.1840    0.0450 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4600   -8.3390   -0.1060 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0100    2.5900   -2.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.0820   -3.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8310    3.2160   -0.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030   -4.0610   -0.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1430   -6.5110   -0.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3870   -6.1060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
M  END