PUBCHEM-ZINC05426193
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.0240    1.3790    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0090    0.0000   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1320   -0.6650   -0.0140 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2990   -0.0470   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690    1.3310   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1870    2.0700    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2230    3.8310    0.0100 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930    4.1310    1.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090    3.1320    2.5790 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    5.4190    2.2100 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9630    6.1630    1.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9040    5.5840    3.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1040   -2.0810   -0.0210 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9610    1.9160    0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9430   -0.5440    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100   -0.6270   -0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3270    1.8300   -0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0370    3.2970    3.5330 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 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  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 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  1   3   1
M  CHG  1  13  -1
M  END