CHEMBRIDGE-ZINC01234189
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0010    1.3690   -0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0330    0.0270   -0.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3650   -0.3510   -0.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1600    0.7060   -0.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.8030   -0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8610    3.0840    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2510    3.3320    0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3510    2.3350    0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550    1.1400    0.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5640    2.8570    0.1990 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6780    4.1870    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1350    5.0750    0.4250 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0400    4.8580    0.2280 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360   -1.7280   -0.9460 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9640   -2.7000   -1.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1260   -1.9780   -1.0290 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8760    1.9840   -0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8230   -0.6220   -0.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1580    3.8960    0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500    2.2900    0.2090 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 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  1  14   1
M  CHG  1  16  -1
M  END