IBS-ZINC05322720 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 0 0 0 0 0 0999 V2000 -0.0330 1.3030 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 1.1520 2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5890 3.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 1.0710 4.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 1.0890 7.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 1.5960 8.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 0.7970 9.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 1.2780 10.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 2.5760 10.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 3.3840 10.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 2.8950 9.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 5.1560 10.7820 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 3.0970 11.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 2.5220 13.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 3.4930 14.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 4.4440 13.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 4.5050 12.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 5.0990 14.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 3.4080 15.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 0.5800 10.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -0.7820 10.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 0.2130 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 1.7210 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 1.7350 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 1.5560 2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 0.0610 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 2.6840 3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 1.2140 3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.0230 4.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 1.4680 5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 1.4750 7.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -0.0060 7.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -0.2030 8.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 3.5310 8.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 1.6170 13.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 2.2890 13.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -1.1920 11.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 -0.8700 9.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 -1.3670 10.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 1.6740 1.2400 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7430 2.7010 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 1.3290 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 1.5250 6.1720 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8060 2.5520 6.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 1.1840 6.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 20 21 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 M CHG 1 40 1 M CHG 1 43 1 M END