PUBCHEM-ZINC05178919
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 17  0  0  1  0  0  0  0  0999 V2000
    0.1680    1.5820    0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0190    0.0440    0.1370 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5880   -0.4020    0.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4910   -0.2900    0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0460   -0.5870   -0.8330 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2090   -1.8450   -1.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5900   -2.4100   -2.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550   -1.7380   -3.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8760    2.0550   -0.4340 S   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6010    2.0260   -0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0460    1.9550    1.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4410   -2.4930   -0.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0850   -1.8280   -0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9680   -0.2510    1.4370 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.4550   -1.1470 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0660   -0.4020   -1.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3760    0.2620   -1.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -3.4670   -2.5040 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  CHG  1   9  -1
M  CHG  1  14  -1
M  CHG  1  15   1
M  CHG  1  18  -1
M  END