IFLAB-ZINC00151796
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3980    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
    1.2340   -0.6840   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    0.0400   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    1.4270   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1540    2.0970    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1280    3.5770    0.0110 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0620    4.1660    0.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1710    4.2050    0.0040 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2540   -0.7570    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2340   -1.9700    0.0040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9600    1.9240    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3630   -0.4740   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1980   -0.2330    0.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330    2.1340   -0.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2640   -2.0390   -0.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650   -2.4280   -0.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8610    2.3440   -0.9050 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 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  END