PUBCHEM-ZINC02008649 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 -0.5240 -0.6760 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 0.0140 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -2.0290 2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -2.3320 2.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -0.1920 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 1.2750 1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 1.5160 3.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 2.7800 3.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 3.6600 2.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 2.9090 4.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 3.9850 5.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 3.5280 6.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 4.0890 8.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 3.2900 9.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 1.9530 8.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 1.3890 7.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 2.2100 6.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 1.8350 5.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 1.2750 9.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -0.1020 9.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 4.0970 10.8820 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 5.3340 5.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 -1.7310 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -0.1990 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -0.6070 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 1.0820 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -0.0710 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -2.2720 2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -2.6020 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -3.3680 3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -1.6790 3.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -2.2220 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -0.4380 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -0.8150 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 1.4660 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 1.9370 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 5.1190 8.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 0.3700 7.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -0.2400 8.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -0.6780 9.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -0.4820 10.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 5.8090 4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 5.9900 6.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 5.2610 5.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -0.5550 1.9080 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6310 -0.0600 2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 45 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 22 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 37 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 19 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END