MMs00086871
  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   -0.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2537    1.2926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    2.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2611    3.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0074    2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5896    3.6390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7463    1.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2463    1.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7537    1.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -0.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7463   -1.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6030   -1.0375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0970   -1.0452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5487    2.4707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8825    1.6956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3712   -0.4200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7050   -1.1952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7537    1.2798    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
M  CHG  1  20  -1
M  END