PUBCHEM-ZINC05479919
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 31 31  0  0  0  0  0  0  0  0999 V2000
    0.7280    1.3100    0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0050    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6230   -0.4850    1.0110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3940   -1.6470    0.8700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1580   -2.1120    1.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9220   -3.2640    1.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6770   -3.7220    2.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6710   -3.0360    4.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9110   -1.8890    4.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -1.4280    3.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4810   -3.5300    5.2020 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.1510   -4.5390    5.0790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4770   -2.9260    6.2600 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0100   -0.7530   -1.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320   -0.4120   -2.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0410    0.3600   -1.6300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4400   -0.9650   -3.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6580   -0.5900   -3.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7550    1.1300    0.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    1.8130   -0.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    1.9380    0.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3960   -2.1270    0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9280   -3.8000    0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2720   -4.6170    2.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9090   -1.3560    5.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5530   -0.5350    3.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8910   -0.4700   -1.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0330   -1.8260   -1.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7020   -1.1080   -4.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5220   -0.8690   -3.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6640    0.4870   -4.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  CHG  1  11   1
M  CHG  1  13  -1
M  END