IBS-ZINC01235359
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.0160    1.3480    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190   -0.5520   -0.0130 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3990   -1.9570   -0.0220 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2280    0.2590   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.9220   -0.0030 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5620   -0.1240   -0.0330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1950   -0.7900    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1450   -1.4130    0.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    1.9690    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7970   -1.0650   -0.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600    0.5500   -0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  3  0  0  0  0
M  CHG  1   3   1
M  CHG  1   4  -1
M  END