PUBCHEM-ZINC01420785
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3770    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
    1.2090   -0.6860   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    0.0180   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    1.4040   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720    2.0820    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550    3.5620    0.0100 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0940    4.1590    0.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030    4.1830    0.0030 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5610   -0.9400   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9920   -2.3390   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6080   -3.3770   -0.0500 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4920   -2.1680   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9590    1.9050    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270   -0.5550    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030    1.9560   -0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1580   -0.7810   -0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -0.7910    0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -2.6310    0.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0580   -2.6220   -0.9150 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 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 13  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 16  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  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  END