ASINEX-ZINC04657285
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0500    1.4010    0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170    0.0370    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890   -0.6710   -0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3470   -0.0120   -0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100    1.4180   -0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160    2.0880    0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2520    3.9400    0.6670 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6470    1.8650   -0.2330 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5740    0.6910   -0.6590 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430   -0.4720   -0.7030 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900   -2.0360   -0.5380 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3190   -0.6600    0.1980 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.3390   -0.1020   -0.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3700   -1.7910    0.6460 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8520    1.9260    0.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1180   -2.4570   -0.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7930   -2.5640   -0.6670 H   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 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1  12   1
M  CHG  1  14  -1
M  END