PUBCHEM-ZINC06512684
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  1  0  0  0  0  0999 V2000
   -0.0050    1.3910   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0300   -0.0060   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730   -0.7140    0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950   -0.0380    0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    1.3580    0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    2.0900   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    3.6110   -0.0460 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1800    3.9580   -0.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9980    4.1550   -1.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5740    4.5700   -2.0860 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    4.1760    1.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500    4.1820    1.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520   -2.1780    0.0800 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0500   -2.7420    0.0040 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2360   -2.7710    0.1760 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9470    1.9320   -0.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9890   -0.5160   -0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400   -0.5700    0.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3640    1.8790    0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7780    4.5810    2.0600 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  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  3  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  1  13   1
M  CHG  1  15  -1
M  CHG  1  20  -1
M  END