IFLAB-ZINC04106445 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 30 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2230 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 0.0410 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4210 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 2.4040 -0.0220 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.1570 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -2.7850 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -4.1860 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -4.8550 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -6.2600 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 -6.8830 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -8.2330 -0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 -8.9380 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 -8.4020 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -7.2430 -0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 -6.1280 -0.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9310 -4.8150 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 -4.1840 -0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9010 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -0.4770 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -2.7150 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -4.6860 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -9.3570 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8400 -4.2310 -0.0870 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 M END