NCID-ZINC05030939
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  1  0  0  0  0  0999 V2000
    0.0710    1.5950    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0210    0.0620    0.0540 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7910   -0.3570    0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3890   -0.5380    0.3560 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0350   -0.1750   -0.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690   -2.0840    0.2000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7850   -2.5870    0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7570   -2.7110    0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0930   -3.4900   -0.7340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6710   -2.4700    1.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8870   -2.5230    1.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7350   -2.4170   -1.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6910   -0.2700    1.6170 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4350   -0.2740   -1.2910 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1040   -1.2010   -1.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3180    2.0210   -0.4480 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4590    1.3640   -1.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230    2.0400   -0.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020    1.9780    1.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1740   -2.3230    2.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2380   -3.1830   -1.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 12 21  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  1  13  -1
M  END