NCID-ZINC04558890
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.0080    1.4270   -0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0070    0.0300   -0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1920   -0.6610   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3730    0.0270    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3810    1.4370    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    2.1170   -0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0580    4.2200   -0.0480 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.5450    2.1390    0.4420 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -1.0660    0.4350 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.1770   -2.0400   -0.3110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.7480   -0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690   -2.0170   -0.8390 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9360    1.9620   -0.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4050    1.6370    0.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5320    3.1490    0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190   -2.2930   -0.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3240   -0.1170   -1.0460 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 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
M  CHG  1  12  -1
M  END