PUBCHEM-ZINC01783227 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.3650 0.3960 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -1.1130 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -1.3810 0.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -2.6730 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -3.5510 0.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -3.0180 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 -3.2870 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 -3.5800 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3970 -3.5380 -0.8030 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -3.1170 -1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -2.9050 -2.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 -3.0270 -3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 -3.3220 -3.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 -2.7960 -4.7930 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4990 -3.4420 -4.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -1.3330 -4.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3350 -3.0950 -5.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -3.4480 -7.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 -3.3950 -7.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -3.7540 -8.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -4.1660 -9.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 -4.2200 -9.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -3.8670 -8.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4470 -4.7820 -10.6150 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 -3.2410 2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 -3.9270 3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 -3.8800 4.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -3.1550 5.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 -2.4730 4.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1100 -2.5070 3.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3820 -1.6990 5.9510 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9710 -1.6640 7.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3970 -1.0980 5.6490 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4350 0.5970 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 0.8910 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 0.7750 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -1.4920 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -1.6080 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9610 -3.8110 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -2.6680 -2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -0.6860 -4.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -1.1040 -4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 -1.1660 -5.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -3.0730 -6.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -3.7130 -8.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -4.4460 -10.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 -3.9140 -7.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -4.4940 2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -4.4120 4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -3.1220 6.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0080 -1.9700 3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 47 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M END