CHEMBRIDGE-ZINC02900800
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.1630    1.3670    0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2350   -0.0050    0.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7050   -0.5690   -0.2360 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1720    1.0600   -0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    1.9590   -0.1700 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3620    3.4360   -0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9680    4.0190   -1.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0410    3.4330   -1.8440 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2980    1.3110   -1.2490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560    1.9560    0.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4870   -0.7040    0.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3630    3.8620   -0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870    3.7360    0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8880    0.5580   -1.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4100    2.3050   -1.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3360    4.9630   -2.0110 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  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
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  CHG  1   5   1
M  CHG  1  16  -1
M  END