MMs00018751
  MOE2007           2D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2436    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4873    2.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0127    2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7564    1.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2563    1.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0127    2.5834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7436    1.3174    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7362    2.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7509   -0.1826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2436    1.3247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9872    2.6274    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.7308    3.9301    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    0.5949   -1.0422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1051   -1.0289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0822    3.6475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6178    3.6343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999   -0.0206    0.0000 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  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  2  0  0  0  0
 19 20  1  0  0  0  0
M  CHG  1  13   1
M  CHG  1  14  -1
M  END