PUBCHEM-ZINC06092123
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
    0.6400    1.3760   -0.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6670   -0.0160   -0.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.6550   -0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0160    0.0660   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9610    1.4700   -0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.1370   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    3.9270   -0.7070 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4540    4.4870   -2.2460 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460    5.9060   -2.4460 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8240    3.6170   -3.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8470    4.2100   -1.6450 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2800   -0.5830    0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1580   -1.6730    1.0750 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8230   -2.1070   -0.2890 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0970   -2.6250    0.5750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270   -2.7190   -1.1830 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2930    1.8500   -1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2330   -0.5870   -0.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8600    2.0500   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3680    0.0280    0.2010 O   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 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5 19  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  2  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  1  11  -1
M  CHG  1  13  -1
M  CHG  1  14   1
M  CHG  1  16  -1
M  END