IFLAB-ZINC04136649 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 24 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.7000 -0.6320 0.0150 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 -0.3920 1.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -2.3800 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -3.1590 1.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -2.8560 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -4.4620 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -5.6780 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -6.8360 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -6.7950 -0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -5.5980 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -4.4150 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -3.1140 -1.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -5.5550 -3.3380 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -5.7170 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -7.7810 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -7.7090 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 M END