NCID-ZINC05390006 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 0.4140 0.7350 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -0.7660 0.0560 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5950 -1.1120 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -1.5030 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -2.1740 -1.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -1.0230 0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -0.9150 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -0.6820 2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -0.5760 3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 -0.7020 3.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -0.9340 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -1.0360 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 -1.2790 -0.0490 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7110 -0.7380 -1.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0620 -2.0200 -0.0800 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4310 -0.5570 5.2080 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 0.9260 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 1.0810 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 1.2680 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -1.2670 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -0.5840 2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 -0.3940 4.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 -1.0330 2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -1.4140 -1.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -1.9040 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 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 22 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END