CHEMBRIDGE-ZINC04663729 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.0320 1.4540 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -0.0750 -0.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5310 -0.4200 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -0.6020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -1.0250 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -1.5080 2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -1.5670 3.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.1430 3.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -0.6560 2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -2.2270 4.9240 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -0.5640 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -0.6740 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.2330 -2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 -0.3440 -3.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 -0.8960 -3.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -1.3330 -2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -1.2300 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9350 -1.7060 0.0770 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6180 -2.7140 0.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7450 -1.0890 1.1100 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6520 0.0990 -4.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -0.1690 -4.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -1.0230 -6.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -0.7140 -6.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -0.5690 -5.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 1.8190 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 1.8350 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 1.7990 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -0.9790 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 -1.8390 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -1.1890 4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -0.3210 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -0.8120 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 0.1950 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -0.9820 -4.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0390 -1.7610 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 0.7700 -4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -0.7160 -3.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -0.7130 -6.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -2.0830 -5.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 0.2170 -7.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -1.5400 -7.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -1.5500 -5.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 0.0470 -6.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END