ACROSORGANICS-ZINC04692840
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 13 12  0  0  1  0  0  0  0  0999 V2000
    0.0840    1.4960   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0300   -0.0230    0.0490 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6930   -0.5140   -0.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4110   -0.5590   -0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3020    0.0120    0.5930 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5120   -0.5670    1.7360 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4900    2.0760   -0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760    1.4490   -0.9890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4620    1.7990   -0.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    1.9840    0.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6060   -0.1060    2.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450   -1.5190   -0.9210 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6900    3.1510    0.4130 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  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 12  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
M  CHG  1  12  -1
M  CHG  1  13  -1
M  END