PUBCHEM-ZINC05427616
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.0070    1.3890    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180   -0.0060    0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320   -0.7250    0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370    0.0040   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4210    1.4100   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1990    2.0910   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1820    3.5560   -0.0720 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0780    4.1210   -0.0650 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700    4.1480   -0.1070 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3500   -0.9320   -0.0830 I   0  2  0  0  0  0  0  0  0  0  0  0
    4.9160    0.1570   -1.7370 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2010    0.4490    1.1880 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1620   -2.2330    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1300   -2.8420    0.6310 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9680    1.8980    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270   -0.5510    0.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3600    1.9600   -0.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340   -2.7730   -0.4280 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 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  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 17  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  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  CHG  1  10   2
M  CHG  1  11  -1
M  CHG  1  12  -1
M  CHG  1  14  -1
M  END