IBS-ZINC02283008 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4010 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 1.1760 -0.6690 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 0.0100 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 -0.4070 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 0.7110 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6360 1.7860 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.3820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 0.7360 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 1.9570 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9760 1.9820 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6960 0.7840 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0170 -0.4380 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6410 -0.4600 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0630 0.8080 -0.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7360 0.0170 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2060 0.0420 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9320 -0.8040 1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3100 -0.7740 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9800 0.0910 0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2750 0.9320 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8890 0.9120 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1960 1.7340 -1.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2910 -1.9180 2.6610 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9300 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -1.7490 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0070 -1.4300 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 2.8820 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4990 2.9270 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5720 -1.3640 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1160 -1.4040 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2130 -0.6560 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4140 -1.4790 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0600 0.1070 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8040 1.6030 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9900 2.5970 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 35 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 36 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 24 39 1 0 0 0 0 M END