MMs00709796
  MOE2007           2D
CORINA 3.40 0006  02.08.2006
 21 20  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
   -0.7602   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2602   -1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0204   -2.5743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9999    0.0237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3917    1.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1999    0.0331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0118    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9000    1.0274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602    1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5205    2.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2397   -1.3168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7396   -1.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4794   -2.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1244    0.4193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2177    1.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3641   -1.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9779   -2.4732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6315   -2.3512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3478   -0.2941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.2694    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
M  CHG  1  21  -1
M  END