MDPI-ZINC00348516 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 22 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7610 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1650 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -3.3140 1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -4.5790 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -5.8020 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -6.7830 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -6.1420 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.8190 -0.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -6.9790 -2.4300 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.0680 -0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.9930 -1.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7550 -1.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.4140 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -3.2370 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -5.9670 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -7.8520 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M END