IBS-ZINC05452162 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3730 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 0.0570 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4560 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0970 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 3.9870 0.0120 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 -0.8820 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 -2.1250 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -2.0130 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -2.7540 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -3.3890 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -3.3720 -0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -4.5650 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -5.8240 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 -7.0000 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 -8.3150 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -10.7140 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -11.8550 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 -11.8650 -1.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -10.6430 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -9.4900 -1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.8950 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 2.0280 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 -0.6520 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -4.5780 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 -5.8680 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 -5.8780 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -6.9550 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -6.9460 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 -8.3590 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 -8.3680 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -10.6670 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 -10.8920 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 -12.8050 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -11.7050 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -10.7170 -2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -10.4580 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -9.6480 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -8.5490 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -9.4440 -0.0720 N 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 10 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END