IBS-ZINC02282469 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 1 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 1.2090 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0160 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 1.3950 -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 1.1730 3.5620 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 4.3670 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 5.6890 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 5.6350 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 4.3370 0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 6.7440 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 6.5500 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 7.5630 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 8.7570 0.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 7.0870 0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 5.7630 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 4.9540 0.0820 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 5.0090 0.0460 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 8.0020 0.0960 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8670 9.0350 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1000 7.7630 -1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4480 8.4800 -0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6880 8.5210 0.8820 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.6790 9.8700 1.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7680 7.6670 1.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1020 7.7220 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -2.5740 -0.0230 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9030 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -0.5200 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 1.9390 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 4.0430 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 6.5800 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 7.7470 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6060 8.1630 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2690 6.6940 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4050 9.4930 -1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2530 7.9200 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2370 6.6500 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6770 8.1830 2.2280 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 M END