PUBCHEM-ZINC05819871
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  0  0  0  0  0  0999 V2000
   -0.4050    1.1530   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3830   -0.0160   -1.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9330   -0.7890   -1.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9520   -1.9630   -2.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2440   -2.7660   -1.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940   -2.3990   -1.2380 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2970   -4.0880   -2.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7060   -3.9590   -4.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5770   -4.5050   -4.1920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2930    0.8080    0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4030    1.8590   -0.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3550    1.6910   -0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2220   -0.6850   -0.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5300    0.3600   -2.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7710   -0.1140   -1.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820   -1.1580   -0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1200   -2.6400   -1.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8370   -1.5890   -3.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400   -4.4130   -2.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560   -4.8290   -2.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050   -3.3120   -4.8690 O   0  5  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  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
M  CHG  1  21  -1
M  END