NCID-ZINC01764769
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 15  0  0  1  0  0  0  0  0999 V2000
    0.0700    1.3790    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1230   -0.1390   -0.1350 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7520   -0.5610    0.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2930   -0.7300   -0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3910   -2.1390    0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6300   -2.3850    1.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9860   -0.5280   -1.6770 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9470   -1.9850   -1.7670 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2130    0.1670   -2.7060 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0720    1.8190    0.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260    1.8660   -0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3740    1.6260    1.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9360   -0.1170    0.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7490   -0.7150   -1.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3010   -2.8600   -0.0170 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3270    0.0200   -1.4640 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5 15  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 16  1  0  0  0  0
M  CHG  1  15  -1
M  CHG  1  16  -1
M  END