CHEMDIV-ZINC02327118 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 0.7080 1.1470 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -0.2410 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 -0.9140 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 -0.2100 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 1.1810 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 1.8650 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 3.2160 -0.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 3.9900 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 5.4400 -0.3720 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0180 5.5000 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8170 6.3520 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 8.6360 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 8.4800 2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 7.1810 2.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 7.1330 3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 8.4380 -1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 9.5130 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 9.0050 -0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 9.6490 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 5.9350 0.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 5.2580 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -2.7930 0.5500 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 1.6710 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -0.7810 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.7320 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 1.6920 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4150 3.9140 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 3.6420 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 6.1170 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 6.2760 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 9.6810 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 8.3350 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 9.2050 2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 8.6570 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 7.6540 -2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 8.8270 -2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 10.4230 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 9.7670 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 7.7870 -0.2460 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4600 7.6850 0.3020 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 39 1 M END