PUBCHEM-ZINC05042014
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 27 28  0  0  0  0  0  0  0  0999 V2000
    0.9650    1.3540    0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7360   -0.0740    0.3590 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1020   -0.6500   -0.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0230   -1.6840 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -2.0940   -1.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240   -2.8700    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1280   -4.2020   -0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5010   -4.8330   -1.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3050   -6.2110   -1.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740   -6.7940   -2.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460   -6.0440   -3.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4520   -4.7060   -3.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820   -4.0700   -2.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760   -2.6850   -2.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4790   -4.9960    0.9490 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.3760   -4.5200    1.6220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0820   -6.1250    1.1750 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0290    1.5620    0.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4110    1.8820   -0.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6260    1.6890    1.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340   -2.3980    0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370   -6.8060   -0.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5220   -7.8550   -2.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -6.5310   -4.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8970   -4.1360   -4.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -1.9380   -3.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7900   -1.8790   -3.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  2  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 26 27  1  0  0  0  0
M  CHG  1  15   1
M  CHG  1  17  -1
M  END