PUBCHEM-ZINC03030589
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  1  0  0  0  0  0999 V2000
    1.1030    0.2120   -0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0490    0.0410    0.3600 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3240    0.6640    1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1530   -1.4160    0.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3030   -2.3180    0.0650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5810    0.5540   -0.3040 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4140    0.9870    1.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730    2.2450    1.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9050    2.3940    2.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8860    1.0290    3.2990 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3300    0.2360    1.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8790   -1.0520    1.5800 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.1040   -1.2900    0.3850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1690   -1.8020    2.5230 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0780   -0.1330   -0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8720   -0.3630   -1.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    1.2650   -1.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4910    3.0020    1.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9100    3.2380    3.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300   -1.5420    1.9460 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