MDPI-ZINC03843048 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 1 0 0 0 0 0999 V2000 -0.1690 1.9410 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 0.4380 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -0.0850 -0.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -0.3190 -0.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -1.7590 -0.2150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0240 -2.0130 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -2.2440 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -1.5000 -2.6170 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -2.4350 0.5580 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9440 -3.5110 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 -1.8620 1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 -1.3150 2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -1.5040 0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 -1.1230 0.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 -2.1630 -0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 -0.6890 3.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -0.5360 4.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -1.8920 2.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -3.1760 3.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 2.3810 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 2.2770 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 2.2510 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -3.3320 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -1.9120 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -1.5180 4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 0.0010 3.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 0.0280 5.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -3.6290 3.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -3.8130 2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -3.0640 4.1000 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 M END