PUBCHEM-ZINC03870050
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  1  0  0  0  0  0999 V2000
   -0.0850    1.6320    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0440    0.0960    0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7400   -0.3280    1.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3740   -0.5310    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2170   -0.0840    1.1090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8810   -0.4830    1.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8470   -0.4020   -1.1160 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3550   -0.0840   -2.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460    0.0070   -1.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1020   -1.0210   -1.2470 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8390   -1.8560   -1.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    2.1250    0.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5100    1.9850   -0.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7350    1.9860    0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2120    0.0560    2.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880   -1.4190    1.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7640    0.0570    1.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8680   -0.2600   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3400   -1.6250    0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8160   -2.0550   -1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    1.2300   -1.3280 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 11 20  1  0  0  0  0
M  CHG  1  21  -1
M  END