PUBCHEM-ZINC03030588
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  1  0  0  0  0  0999 V2000
   -1.1910   -0.0670    0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.3860    0.3910 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9020    0.0040    1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5390   -1.8880    0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4650   -2.6330    0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6700    0.3940   -1.2150 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    0.5510   -1.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9920    1.6120   -0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3690    1.5590   -0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9700    0.2430   -1.1770 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3940   -0.2590   -1.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -1.3950   -2.4570 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0800   -2.3100   -2.3520 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540   -1.3420   -3.3100 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3360    1.0100    0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8930   -0.4050   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4740   -0.5630    1.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    2.3740    0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500    2.2290    0.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7620   -2.2130    0.2640 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1  12   1
M  CHG  1  14  -1
M  CHG  1  20  -1
M  END