MDPI-ZINC03851513 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 0.7090 2.0070 -2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 0.6740 -3.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -0.2540 -2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 0.1480 -1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 1.5020 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 2.4190 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 1.9680 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 1.0560 1.0250 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0070 -0.7350 -0.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -2.0800 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -2.7630 -1.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -2.5510 0.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -3.8880 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 -5.0420 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 -6.3180 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 -6.4550 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2170 -5.3300 1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7070 -4.0610 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7640 -2.5670 1.8750 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.1740 -8.1780 1.6350 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -5.0390 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -5.1540 -0.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 2.7260 -3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 0.3520 -3.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -1.2840 -2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 3.4630 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 -0.2400 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 -1.8310 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -7.2110 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1680 -5.4370 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 3.1990 0.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 31 2 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 1 0 0 0 0 12 13 1 0 0 0 0 12 28 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 21 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 20 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 21 22 3 0 0 0 0 M CHG 1 8 -1 M END