MDPI-ZINC03845901 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.7400 1.0270 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -0.4010 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -0.4940 1.1150 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5870 0.3750 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -1.7430 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -1.9900 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -0.8330 -1.2720 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5550 0.2740 -1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -1.2410 -2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -2.2360 -3.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -0.5250 2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -0.3060 3.8260 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -1.3740 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 1.7820 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 1.1540 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 1.2650 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -1.5900 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -2.6230 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 -2.0620 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -2.9600 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 0.6600 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -0.1010 -2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 1.1230 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 0.3020 2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -1.4700 2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -1.3470 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -2.4110 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -1.1080 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -0.5170 -2.8050 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 M CHG 1 29 -1 M END