MDPI-ZINC04293428 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 33 0 0 0 0 0 0 0 0999 V2000 0.0720 1.3070 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -0.0550 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -0.7020 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 0.0250 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 1.3960 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 2.0280 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 3.8950 1.0170 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 -0.8410 -0.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -2.1050 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 -3.0740 -0.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -2.1090 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -3.1930 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -3.1470 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -2.1590 0.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -4.5540 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -5.1590 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 -6.5320 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -7.3090 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -6.7210 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -5.3380 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -4.5160 -0.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -9.1910 -0.2010 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 1.8130 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -0.6180 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 1.9690 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 -0.5670 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 -4.5550 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 -7.0030 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -7.3370 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -4.8320 -0.2290 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 11 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 25 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 21 30 1 0 0 0 0 M END