NCID-ZINC04096031
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  1  0  0  0  0  0999 V2000
   -0.0190    1.5260    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6040   -0.3640    0.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4050   -0.5260    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8770   -1.2230   -0.7310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800   -0.4780   -1.2580 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -1.7160   -1.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260   -2.5100   -0.1980 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950    2.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240    1.2750   -0.0130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5460    1.8870   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290    1.8770    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5440    0.0820   -2.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8430   -2.1960    0.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6460   -3.3830   -0.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1350   -0.2180    1.2200 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6890   -2.1370   -2.4400 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6530   -1.5770   -3.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6220    3.3700    0.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5460    3.6570   -0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0320   -0.5760    1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END