PUBCHEM-ZINC05427620
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0390    1.3780   -0.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -0.0160   -0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2410   -0.7090    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3730    0.0250    0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460    1.4260    0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1790    2.0920    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1510    3.5570   -0.0020 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1040    4.1120   -0.3650 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1760    4.1590    0.3500 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1450   -0.8770    1.1030 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -2.2070    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9640   -2.7860   -0.8220 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8780    1.8770   -0.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8110   -0.5820   -0.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2280    1.9890    0.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3680   -2.7590    0.7920 O   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 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  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 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
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  CHG  1  12  -1
M  END