PUBCHEM-ZINC05413030
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 18  0  0  0  0  0  0  0  0999 V2000
    1.0210   -0.0070    1.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980   -0.0430    0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6790    0.6820   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8240    0.6660   -0.8410 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6170    1.4400   -1.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8870    2.0530   -2.1940 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.4300   -0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7440    0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2950    0.7540    0.9240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6530   -0.0440    2.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690    1.5620    0.2890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7620    2.1730   -1.3900 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.5160    1.5830   -2.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8840    3.3730   -1.2240 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7390   -0.5420    2.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0380   -0.5990    1.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5840    0.0300    2.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1480    1.5030    0.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1  12   1
M  CHG  1  14  -1
M  END