PUBCHEM-ZINC06091135
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
    0.2760    1.5080    0.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1650    0.5270   -0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7490   -0.2790   -0.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1030   -0.1030   -0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5440    0.8790    0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290    1.6850    0.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.7360    1.7930 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2950    3.4450    2.3690 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2940    2.8920    1.9820 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2450    1.1000    0.4780 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1870   -1.5300   -1.9790 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0850   -2.7240   -1.2160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9050   -0.9710   -2.6970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6150    0.3380   -0.4490 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.3500    1.3060   -0.5280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0730   -0.7850   -0.5590 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4380    2.1400    1.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8170   -0.7320   -1.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2950   -1.7640   -2.9960 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0870   -2.4390   -3.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 19 20  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  CHG  1  14   1
M  CHG  1  16  -1
M  END