MMs02488211
  MOE2007           2D
CORINA 3.40 0006  02.08.2006
 18 18  0  0  1  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
    1.3571   -0.6390    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    1.6379   -2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1260   -2.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7650   -0.9436    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3650   -1.9829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6717    0.0834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384   -0.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2183   -1.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5112    1.0857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857    0.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5112   -1.0857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4421   -2.2126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -3.3122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517   -3.4690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2592   -2.6956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8224    1.2739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    0.7536    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  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
M  CHG  1   2   1
M  CHG  1  18  -1
M  END