IFLAB-ZINC01726237
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3780    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
    1.2130   -0.6800   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030    0.0340   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790    1.4150   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1700    2.0860    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1470    3.5660    0.0100 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0830    4.1580    0.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1920    4.1920    0.0040 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2350   -0.9830   -0.0430 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9600    1.9040    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260   -0.5570    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3050    1.9710   -0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2340   -2.0390   -0.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310   -2.4280   -0.9060 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 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  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
 14 15  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  END