PUBCHEM-ZINC04582647 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 0 0 0 0 0 0999 V2000 0.1170 1.6820 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 0.1760 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -0.4710 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -1.8510 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -2.5890 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -1.9360 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -0.5560 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -2.7190 -2.5350 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0160 -2.1510 -3.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -3.9320 -2.4920 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0660 -3.9870 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -4.6180 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -3.9780 2.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 2.0340 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 2.0190 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 2.0820 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 0.1040 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -2.3550 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.0480 -2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -4.5030 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -5.6930 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END