ACROSORGANICS-ZINC04244892
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 19 19  0  0  0  0  0  0  0  0999 V2000
    0.0040    1.3790    0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0610   -0.0160    0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650   -0.6930   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270    0.0800   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3810    1.4830   -0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1650    2.1160    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1110    3.9190    0.0160 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    4.2570   -1.1530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3140    4.2130   -0.1070 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -0.5610   -0.5390 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7360    0.1560   -0.5280 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480   -1.7840   -0.7550 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2480   -2.0810   -0.0720 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9410    1.8810    0.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8540   -0.5780    0.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2660    2.0920   -0.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4100   -2.6090    0.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1090   -2.5800   -0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7090    4.2240    1.3120 O   0  5  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 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  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 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  CHG  1  10   1
M  CHG  1  12  -1
M  CHG  1  19  -1
M  END