PUBCHEM-ZINC06563276 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 0 0 0 0 0 0999 V2000 -0.9460 0.5430 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -0.7520 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -1.7310 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -1.3530 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -0.4210 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 0.7280 -1.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -1.5420 -1.8000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -1.6840 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -0.4220 -3.6880 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -3.0260 -3.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -3.8170 -4.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 -3.3440 -5.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -4.2180 -6.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 -5.5710 -6.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -6.0660 -5.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -5.2030 -4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -5.7610 -3.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -4.9060 -2.4080 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9330 -6.7410 -7.4900 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 1.0120 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 1.2760 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 0.3470 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -1.8940 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -2.7110 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -1.3470 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 -0.6970 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -2.3280 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -1.4960 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -2.4180 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -3.6500 -2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -2.3050 -5.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 -3.8250 -6.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -7.1250 -5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -7.0010 -3.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 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 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 34 2 0 0 0 0 M CHG 1 18 -1 M END