NCID-ZINC03875091
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 15  0  0  1  0  0  0  0  0999 V2000
    0.0780    1.1590   -0.3190 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1720    0.2260   -0.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5910    1.3280   -0.2000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0180    1.7490   -1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0110    2.2110    1.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2350    2.5060    1.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2010    0.0290   -0.0170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6520    2.3050   -1.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760    2.5480   -0.5070 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1280    0.2280    0.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0740    2.4110    1.8500 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0940    2.8090   -2.0660 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5510    1.0180    1.0550 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4840    1.4710    0.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180    1.6900    1.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580    0.0830    1.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  CHG  1  11  -1
M  CHG  1  12  -1
M  CHG  1  13   1
M  END