IFLAB-ZINC04314852 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 1 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 3 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -0.1480 -1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -0.8740 -2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -2.1130 -2.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -2.7900 -2.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -2.5410 -4.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -3.3920 -4.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 -1.8040 -4.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -2.2220 -6.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 -0.6170 -4.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -0.1230 -3.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 0.9900 -2.6730 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 0.9790 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 2.3400 -0.1640 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 0.1550 -5.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 0.1130 1.2290 Cl 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 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.1110 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -0.3880 -6.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8780 0.3040 -5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 1.1230 -5.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 14 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 M END