PUBCHEM-ZINC06485427
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0220    1.8060    0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8350   -0.2820   -1.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2930    0.6740   -2.2950 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8880    0.2900   -3.3410 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9890   -1.0470   -3.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220   -1.8200   -2.1110 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970   -1.7010   -4.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2200   -1.0850   -5.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6830   -2.1080   -6.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3470   -3.3020   -5.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7060   -3.0390   -4.7210 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6530   -4.6530   -6.3860 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2980   -4.7890   -7.5260 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2820   -5.7200   -5.7090 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0000    2.1830    0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    2.1670   -0.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5330    2.1570    0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3130   -0.0250   -5.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100   -1.9970   -7.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  1  13   1
M  CHG  1  15  -1
M  END