SPECS-ZINC02024435
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0870    2.0570    1.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1070    0.6930    1.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9390   -0.1750    0.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1150    0.2760    0.5710 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1630   -0.6460    0.3310 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3390    1.5700    0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310    2.5000    0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5960    2.0020   -0.0220 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7260    3.2140   -0.7140 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7500    3.7280   -1.2300 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8150    3.7520   -0.7980 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7160    2.7560    1.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0660    0.3150    1.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920   -1.2370    1.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5170    3.5540    0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3800    1.4640    0.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  2  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  1   4   1
M  CHG  1   5  -1
M  CHG  1   9   1
M  CHG  1  11  -1
M  END