IBS-ZINC00495560 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3960 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -0.6620 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 0.0230 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.3420 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 2.0680 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 3.9590 0.0110 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -0.7730 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -0.1900 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -2.1200 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -2.8820 0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2230 -2.3550 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 -3.0320 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2930 -1.3900 -2.1330 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -4.2460 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -4.5510 0.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 1.9370 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -1.7410 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 1.8630 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -2.5860 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -3.5590 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 -3.5990 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -1.6720 -3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 -5.1230 0.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 -5.9860 1.0960 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 17 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 M END