NCID-ZINC04714989
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 17  0  0  0  0  0  0  0  0999 V2000
    0.0150    1.3580   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    0.0570    0.0070 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2440    2.9540   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0210   -0.7180    0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740   -0.1290   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3530    1.2700   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4370    1.8320   -0.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    1.9850   -0.0230 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010   -0.9570   -0.0190 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4170   -2.1690   -0.1110 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5940   -0.4270    0.0700 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9000   -2.0930    0.0170 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320   -2.6690    0.1460 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890    1.9480   -0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6890   -2.6500   -0.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2570   -3.6720    0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8300   -2.2840    0.9350 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 14  1  0  0  0  0
  2  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  CHG  1   9   1
M  CHG  1  11  -1
M  END