IBS-ZINC05144368 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 51 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2090 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0170 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 1.3960 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 3.5630 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 4.3690 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 5.6910 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 5.6360 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 4.3370 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 6.7860 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 7.9170 0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 6.5930 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 7.7440 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 7.2520 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1010 8.4530 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 9.2950 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 9.7870 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 8.5850 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 10.6400 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 9.7980 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 9.3060 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 8.5960 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -2.5740 -0.0220 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9030 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -0.5190 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 1.9400 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 4.0460 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 6.5830 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 5.6920 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 6.6520 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 6.6440 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1330 8.1020 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5140 10.1510 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 8.6870 2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 10.3860 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 7.9780 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 8.9360 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 11.4960 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 10.9900 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 10.4060 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 8.7060 -2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 10.1620 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 8.9470 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 7.9970 -2.0760 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 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 25 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 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 32 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 M END