PUBCHEM-ZINC05850666 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 -0.0470 1.7270 0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 0.2450 0.0810 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2870 0.1080 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -0.3360 0.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 0.7580 0.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 1.9460 0.0850 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5860 1.8790 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 3.2220 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 4.0770 1.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -0.4530 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -1.9750 0.7100 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4210 -2.3870 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -2.7200 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -3.6130 0.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 2.3320 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 1.9520 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 0.5190 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -0.1940 1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -0.0670 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 3.2900 0.2680 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0530 -2.3790 2.3310 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1410 -2.4240 -0.7320 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2080 -2.7640 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -1.7840 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -3.2490 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 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 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 M CHG 1 20 -1 M CHG 1 21 -1 M CHG 1 22 1 M END