IFLAB-ZINC04852906 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 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 0.7450 -0.5110 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -2.0390 1.1130 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3170 -2.4760 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -2.5920 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -3.9100 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -4.4450 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 -3.6630 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -2.3450 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 -1.8020 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -0.4960 0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -1.5770 -0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1040 -2.1970 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -6.2460 1.5430 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -2.3270 -0.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -1.5510 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -1.8420 -2.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -0.4730 -1.1970 N 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 1.7420 -0.0730 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -0.2520 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -4.5220 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 -4.0820 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 -1.4760 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -3.0480 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 -2.5380 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -3.0740 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 0.0160 -2.0260 H 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 12 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 31 1 0 0 0 0 M END