PUBCHEM-ZINC05601330
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  0  0  0  0  0  0999 V2000
   -0.0460    1.4670    0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340   -0.0290   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040   -0.6600   -0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -0.7930   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8420   -0.8230    1.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0860   -1.6590    1.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1920   -2.7910    2.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4730   -3.6340    2.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4540   -3.2090    1.5680 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9310    1.9420   -0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7220    1.8680   -0.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4170    1.7640    1.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570   -1.7410   -0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1390   -0.1150   -0.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9920   -0.3410   -0.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220   -1.8220   -0.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0850   -1.2040    2.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0940    0.1910    1.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9460   -1.3110    0.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3480   -3.1580    2.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3740   -4.6700    2.9590 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  2  0  0  0  0
M  CHG  1   9  -1
M  END