NCID-ZINC01677333
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 17  0  0  1  0  0  0  0  0999 V2000
   -0.0440    1.4690    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090   -0.0560    0.1880 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4420   -0.4520    1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8030   -0.5950   -1.0140 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8680   -1.6880   -0.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2300    0.0070   -1.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540    0.8120   -2.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4590   -0.4990    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020   -0.4530   -1.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9510    1.8860    0.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4360    1.9250   -0.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6890    1.7900    1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0530   -0.3770   -0.2160 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0450   -0.3120   -2.2950 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3800    0.6070   -2.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0070   -0.3070   -2.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2170   -1.0070   -3.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -0.8500    1.1390 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  4  1  0  0  0  0
  2  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  CHG  1  13  -1
M  CHG  1  14   1
M  CHG  1  18  -1
M  END