MDPI-ZINC04268065 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 0.0500 0.9570 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -0.3810 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -0.9990 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2440 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 1.1130 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 1.7010 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 3.5360 -0.2520 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 -1.1600 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -2.3780 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 -2.2880 0.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -3.0210 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -3.5970 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 -4.1370 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 -5.3350 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 -6.2930 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 -7.3290 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 -7.4320 -1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2080 -6.4970 -1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 -5.4380 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -4.3780 -1.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 -4.2050 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7930 -8.6260 0.4440 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 -3.6540 1.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -4.1970 2.9900 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -3.4490 4.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -4.2820 2.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 -0.8540 -1.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6370 -0.2940 -0.6020 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6130 0.1060 -1.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 0.5900 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 1.4310 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -0.9500 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 1.6960 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5740 -6.2180 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4080 -8.2520 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 -6.5860 -3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -5.6270 3.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2470 -1.4510 0.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0070 -1.2020 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -6.0690 3.9510 H 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 38 1 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 M END