NCID-ZINC01688665
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3890    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
    1.1780   -0.6900   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    0.0120   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740    1.4290   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1420    2.1030    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940    2.1340   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7530    1.4170   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7090    0.0170   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5650   -0.6370   -0.0340 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5740   -2.0530   -0.0410 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9000   -0.7000   -0.0570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9630    1.9090    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -0.5480    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -1.7700   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1150    3.1830    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6100    3.2130   -0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7050    1.9280   -0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7490   -0.2300   -0.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8830   -1.6700   -0.0620 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 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  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 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  CHG  1  10   1
M  CHG  1  11  -1
M  END