MDPI-ZINC04268065 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 41 0 0 0 0 0 0 0 0999 V2000 0.6150 1.0290 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -0.2900 1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -0.8300 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 -0.1180 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 1.2160 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 1.7680 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 3.5580 -0.0320 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 -1.0120 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 -2.2110 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -2.0900 0.9990 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -2.8410 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -3.4270 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -4.4080 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 -5.4260 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 -6.6420 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8290 -7.4130 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0210 -6.9990 -1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 -5.7920 -1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7410 -5.0300 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1140 -3.8140 -1.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 -3.2700 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5780 -9.0530 0.5740 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -4.3370 2.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 -4.9810 2.9530 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -4.8310 4.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -4.1400 2.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 -0.8700 -1.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1380 0.3430 -2.3880 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 -0.1420 -3.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 0.4490 -3.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 1.4680 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -0.8800 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 1.8130 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9290 -6.9650 1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5980 -7.6080 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 -5.4620 -2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -6.3700 2.5000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4650 1.5130 -1.5740 O 0 5 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 M CHG 1 37 -1 M CHG 1 38 -1 M END