IBS-ZINC04027865 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 1 0 0 0 0 0999 V2000 0.0140 1.4540 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 0.0030 -0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -0.6130 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 0.0380 -0.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -2.1180 -0.0530 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4680 -2.5390 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -2.5940 1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -4.0600 1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -5.0330 2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -4.9490 3.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -6.1030 4.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -7.3020 3.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -7.4150 2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 -6.2590 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -6.0210 0.8380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -6.6850 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 -4.7040 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -4.0170 -0.7420 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9590 -4.2670 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -4.4640 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 -3.7380 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3630 -4.1490 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5980 -5.2860 -1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5370 -6.0120 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 -5.5980 -1.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -6.5880 -2.4620 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 1.8240 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.7850 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 1.8430 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.4480 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -2.0330 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -4.0190 4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -6.0760 5.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -8.1790 4.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -8.3560 2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 -2.8510 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1930 -3.5810 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6120 -5.6060 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7210 -6.9000 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -2.5630 -0.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 -2.2830 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 40 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 40 41 1 0 0 0 0 M END