PUBCHEM-ZINC05027810 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.2110 3.0840 -2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.8120 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 0.7360 -2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 0.9310 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 2.2020 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 3.2790 -1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 2.4520 -0.4710 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 3.7680 0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 1.2960 0.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 2.4520 -1.6030 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 1.3060 -2.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 1.2510 -3.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 0.1170 -4.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 -0.9650 -3.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 -0.9140 -2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 0.2210 -1.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3180 -2.2730 -1.8320 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 -2.5160 -4.8980 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -0.6260 -2.2310 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.7980 -2.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -1.5740 -1.7360 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7250 3.9240 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 1.6590 -3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 0.0900 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 4.2720 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 3.2490 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 2.0940 -4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 0.0740 -5.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5880 0.2630 -0.7620 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 29 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END