MMs00693282
  MOE2007           2D
CORINA 3.40 0006  02.08.2006
 20 21  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
   -1.4684   -0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2135    0.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2056    2.1065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624    1.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7605    1.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331    2.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4505    3.5523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1326    0.9678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3777   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9826   -1.7010    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9116   -0.0110    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7047    1.1580    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.5909   -0.0522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3096    2.5306    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8887   -0.8063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9606   -1.4007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4688    3.4363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3265    1.0887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  1  14   1
M  CHG  1  16  -1
M  END