CHEMDIV-ZINC01116850 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -0.2490 1.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -0.7480 2.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -1.4880 3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -1.5320 2.4880 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -2.1200 4.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 -1.9680 5.1440 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 -2.6930 6.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 -2.2340 4.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -0.2720 5.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 0.1720 6.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 1.5020 7.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 2.3880 6.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 1.9420 4.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 0.6110 4.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 4.2070 6.7060 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 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -2.6520 4.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 -0.5190 7.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 1.8500 8.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 2.6330 4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4790 0.2620 3.6680 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 4 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 M END