SIAL-ZINC04534281 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3560 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 1.2110 -0.7070 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -0.0450 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 1.3590 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 2.0690 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 3.4740 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 4.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 3.4350 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 2.0740 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 6.0250 0.0090 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -2.0650 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -2.7010 -0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6940 -2.2750 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -4.2020 0.2300 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5450 -4.3640 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -4.8850 0.1790 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9040 -4.5020 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -4.5870 -1.1730 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9310 -5.0230 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -3.0700 -1.3590 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6680 -2.6490 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -2.4940 -1.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -2.7680 -2.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -2.2030 -3.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -5.1480 -2.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -6.2970 0.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -4.7520 -0.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.8850 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 -0.5990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 4.0280 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 3.9820 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 1.5460 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -4.9960 -3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -6.5560 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -4.3610 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8860 -3.1260 -2.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 -2.9110 -3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 26 35 1 0 0 0 0 27 36 1 0 0 0 0 28 37 1 0 0 0 0 38 39 1 0 0 0 0 M END