PUBCHEM-ZINC05839699
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0500    1.7220    0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170    0.1990   -0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    0.1210    0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5850    1.6140    0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3820   -0.0980    2.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3950   -0.7350    2.5780 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3130    0.4230    2.7770 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3730   -0.8640   -0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -2.0430   -0.2690 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5370   -0.4500   -0.3490 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3590    2.3310   -0.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4010    2.0410    1.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8210   -0.3230    0.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370   -0.0800   -1.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    1.7490   -0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0760    2.2880    0.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  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 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  CHG  1   7  -1
M  CHG  1  10  -1
M  END