PUBCHEM-ZINC02555654
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 17  0  0  1  0  0  0  0  0999 V2000
    0.1140    1.4580   -0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0150   -0.0640   -0.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -0.5940    0.5670 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260    0.0470    1.7750 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300    1.9940   -0.0230 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2670    1.6020   -0.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3510    3.5470   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2970    4.0060    1.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2390    1.7610   -1.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8050    1.9550   -0.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4620   -0.4180   -1.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9470   -0.5640   -0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0080   -2.0920    0.4900 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4340    4.1080   -1.1800 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2960    1.5850    1.4230 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1480    1.1410    1.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4710    0.9720    1.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1820    2.5170    1.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  9  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
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  1  13  -1
M  CHG  1  14  -1
M  CHG  1  15   1
M  END