OTAVA-ZINC05236942 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 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 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8240 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.6720 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -4.0420 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -4.5770 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -3.7470 2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -2.3600 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -1.4680 3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -0.1730 3.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 0.6090 4.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.9160 4.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 2.7490 4.9870 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 4.2020 4.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 2.5950 2.6520 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -6.4540 1.7900 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 -1.0200 -0.3810 0.0100 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 -0.2570 -2.2630 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -4.6990 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -4.1680 3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -1.8840 4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 2.3750 5.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 4.5090 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 4.4840 4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 4.6930 5.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 3.9710 2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 M END