IBS-ZINC02432858
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.0440    1.3130    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040   -0.0850   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650   -0.6920   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4580    0.0420   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    1.4500   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1300    2.0650   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0130    4.1480    0.0030 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.5340   -0.8940   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9700   -2.1440   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110   -2.0240   -0.0310 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820   -2.8170   -0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390   -3.4240   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9070   -3.4320   -0.0720 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0160    1.8000    0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9070   -0.6750    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3040    2.0320   -0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5950   -0.6780   -0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8760   -4.4410   -0.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  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  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
M  CHG  1  13  -1
M  END