IBS-ZINC00539759
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.0160    1.3530    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
    1.2340   -0.6880   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2380   -2.4000   -0.0230 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4070   -0.0320   -0.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4590    1.3180   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2670    2.0630    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3170    3.4600    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380    4.0970   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    3.3600   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6780    1.9810   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970    5.5760    0.0050 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.5670    6.2270    0.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    6.1430   -0.0020 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9500    1.8950    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -0.5580    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4040    4.0360    0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6640    3.8710   -0.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    1.4180   -0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  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