NCID-ZINC01743802
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3750    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
    1.2080   -0.6820   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4020    0.0160   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970    1.3960   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1840    2.0860    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720    3.5650    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    4.2740    0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300    6.0070    0.0140 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730    6.0870    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4010    7.1020    0.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150    4.4840    0.0210 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210   -2.1720   -0.0210 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1710   -2.7900   -0.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2800   -2.7720   -0.0340 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9580    1.9040    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260   -0.5560    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400   -0.5190   -0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3300    1.9410   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2570    3.8240   -0.0080 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 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  1  13   1
M  CHG  1  15  -1
M  END