IBS-ZINC04981446 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3810 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 1.1990 -0.6910 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0050 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4060 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0880 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 1.8480 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 3.0790 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 3.3190 -0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0900 4.5840 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 5.5180 -0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5390 4.8350 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1650 6.0680 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5430 5.7840 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6790 4.4750 -0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5320 3.8960 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3920 2.9370 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6430 6.7800 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9700 6.3560 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9900 7.2860 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6960 8.6390 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3790 9.0650 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3520 8.1430 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0980 9.9080 -0.0730 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5830 0.6000 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 0.5210 -0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 -0.4320 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -1.7710 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 3.1680 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2470 2.5740 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 7.0410 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2000 5.3010 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0190 6.9580 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1550 10.1220 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3260 8.4770 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -1.3650 -0.0400 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 38 1 0 0 0 0 M END