CHEMBRIDGE-ZINC01138071 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0040 1.6090 0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 0.1600 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -0.3930 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -0.2590 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -0.7580 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -1.3990 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 -1.5250 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 -1.0230 1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4030 -1.8960 0.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 -3.1610 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1880 -3.2370 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6310 -2.0230 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5340 -1.1930 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5600 0.2060 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1130 1.2380 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1460 2.5650 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6370 2.8650 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1000 1.8520 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0650 0.5250 -1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6780 4.6610 -2.0770 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 -4.2850 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -4.9070 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -6.0920 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 -6.3580 1.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.9830 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 2.2500 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 1.7130 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 0.0790 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -0.4510 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 0.2290 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1610 -0.6670 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -1.9660 2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -1.1220 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7960 -4.1030 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6530 -1.7620 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 1.0130 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7890 3.3510 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4870 2.0810 -3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4220 -0.2620 -2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 -3.9630 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 -5.0580 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8680 -5.2530 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -4.1650 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 -6.6730 -0.6040 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 M CHG 1 44 -1 M END