NCID-ZINC01682452
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  1  0  0  0  0  0999 V2000
    0.1090   -2.1290    0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.7260   -0.4230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5280   -0.5710   -1.1480 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0190    0.0920   -0.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3430   -0.9940   -2.3470 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1480   -1.6610   -2.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0080    0.2170   -3.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9430    0.5090   -4.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7480    0.9030   -2.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4070    2.0610   -2.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4170   -1.7540   -3.2970 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540    0.2040   -1.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1590   -0.1890   -2.8320 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170   -1.3420    1.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8740   -2.3770    0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5210   -3.0210    1.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780    2.7690   -3.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1390    1.7760   -3.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9370    2.5440   -1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2720   -1.2270   -3.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1740    1.1450   -0.9620 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
M  CHG  1  21  -1
M  END