IBS-ZINC05307749 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 1.2190 1.1660 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -0.3290 -0.3250 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0540 -0.5750 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -0.7940 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -2.8000 2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -4.3040 2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -6.3400 3.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 -6.8960 5.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -7.1830 6.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -6.9560 6.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -7.2670 7.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -7.8140 8.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 -8.0440 8.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 -7.7330 7.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 -7.9680 6.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 -7.6560 5.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -7.1080 4.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 -6.7500 3.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 -6.5670 3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 -5.8000 2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 -6.2680 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3300 -5.5320 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 -4.3200 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 -3.8410 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 -4.5800 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7820 -4.1110 2.7800 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -1.0410 -1.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -0.7400 -2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 1.4230 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 1.4770 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 1.7440 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 -0.5570 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -0.2770 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -2.2970 3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -2.6280 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -4.4910 2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -4.8420 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -6.8680 2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -6.4490 4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -6.5280 5.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -7.0810 8.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -8.0590 9.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -8.4710 9.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1790 -8.3980 7.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -7.8630 5.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 -5.9850 4.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 -7.5490 3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6720 -7.2080 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0040 -5.9040 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8160 -3.7510 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -2.8990 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -2.2490 1.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -2.6480 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -4.8850 3.6440 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3030 -4.7800 3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -4.3670 4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 52 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 6 54 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 7 54 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 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 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 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 M CHG 1 54 1 M END