IBS-ZINC04040161 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 2.9380 -0.0770 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -0.6930 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -0.9190 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -1.5010 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -1.6630 -0.7270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -2.0800 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -1.1730 -0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -1.1920 -2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -0.7330 -2.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -1.8040 -3.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -1.8790 -4.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -1.9090 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -0.5830 2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -1.6240 3.6860 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7540 -0.9900 4.8080 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0060 0.0570 4.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -1.0280 6.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -1.7400 5.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -1.9980 6.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -2.1740 4.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 -2.8480 3.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -0.3940 7.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -1.3970 8.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 0.3300 9.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -1.8920 10.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 -1.7620 5.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 -1.4430 4.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -2.6170 5.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -3.5730 5.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -3.0620 5.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 0.4970 3.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -0.6450 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 0.9510 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 -0.0570 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -2.3840 -5.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -0.8750 -4.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -2.4640 -4.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -1.2560 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -1.8480 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -2.9400 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 0.0600 7.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 0.4100 7.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -1.7080 8.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -2.2880 8.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -0.0170 9.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 1.1430 9.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 0.6660 10.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -2.6550 10.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -2.3120 10.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -1.4370 11.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 -0.4870 4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1400 -2.7530 5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 -4.6120 5.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -2.4550 3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -0.8160 9.6940 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0110 -0.4590 9.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 31 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 55 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 55 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END