MDPI-ZINC03843051 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 0.7780 -0.1010 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -0.7150 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 -0.2200 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -1.3310 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 -1.2160 -0.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 -2.5020 -0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -2.2200 -0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8560 -2.6240 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -2.8200 -1.2310 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5060 -2.6280 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -4.3290 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -5.1240 -2.7360 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -2.2220 -2.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 1.1020 -0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 2.0360 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 0.4460 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 0.3250 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -1.1490 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -4.7740 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -4.5200 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -2.3520 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 1.9820 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 1.7960 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 3.0440 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 M END