APOLLO-ZINC00161939
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3700    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200   -0.6910   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    0.0250   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3710    1.4400   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    2.0850    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1410    3.5650    0.0100 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0720    4.1490    0.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    4.1980    0.0030 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5500   -0.8130   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2920   -2.1260   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5620   -2.4170   -0.0260 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3160   -3.1780   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4940   -2.8800   -0.0670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9600    1.8960    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270   -0.5550    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880    2.0110   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5580   -0.4250   -0.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9490   -4.4760   -0.0600 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6590   -5.1330   -0.0710 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 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  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
 10 11  2  0  0  0  0
 10 18  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 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  END