PUBCHEM-ZINC05513205 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0150 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 1.3940 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 3.4540 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 4.1080 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 5.4730 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 6.1640 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 7.5400 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 8.2570 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 7.5760 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 6.1790 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 8.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 7.7390 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 9.6110 0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -2.1630 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1700 -2.7800 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -2.7640 -0.0330 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.5220 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 1.9380 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 5.6140 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 8.0660 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4180 5.6490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 9.4090 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 10.0010 0.9140 H 0 0 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END