MMs00001801
  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
   -0.7583    1.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9999   -0.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2416   -1.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7416   -1.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -3.8826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4999   -0.0289    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.2582    1.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2415   -1.3328    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2000    0.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1650    2.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8349   -2.3565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -3.0157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2327   -3.7784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583   -1.2845    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0166    2.5787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4233    3.6218    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 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  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 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  CHG  1  10   1
M  CHG  1  12  -1
M  CHG  1  18  -1
M  END