NCID-ZINC04887455
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 17  0  0  1  0  0  0  0  0999 V2000
    0.0190    1.5360   -0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1410    0.0230   -0.1800 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3110   -0.4550   -1.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6270   -0.4060   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8100   -1.2370    0.8580 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5190   -0.4970    0.9920 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4350    1.9800    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4570    1.5520   -0.8700 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1110    1.4070   -2.0500 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090    1.3780   -0.4460 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5310    3.4730    0.1320 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9650    4.0010    1.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1630    4.0900   -0.8770 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3120    1.9160   -1.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6640    1.9830    0.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1910   -1.0860    1.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7610    1.6300    1.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4210    0.1060   -0.9160 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  1   8   1
M  CHG  1  10  -1
M  CHG  1  11   1
M  CHG  1  13  -1
M  CHG  1  18  -1
M  END