CHEMBRIDGE-ZINC01764658
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3780    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120   -0.6820   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040    0.0270   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3820    1.4130   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    2.0870    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1450    3.5670    0.0100 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0810    4.1590    0.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    4.1930    0.0040 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6960   -0.6940   -0.0360 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2180   -0.9860   -1.0970 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2380   -0.9960    1.0130 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9600    1.9040    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260   -0.5560    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480    2.1110   -0.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2300   -2.0410   -0.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2270   -2.4300   -0.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8770    2.3180   -0.9060 H   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 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  CHG  1  10   1
M  CHG  1  12  -1
M  END