IBS-ZINC05574514 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 4.4380 -1.1880 -2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -2.0780 -1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -3.3090 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 -4.1700 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 -3.8060 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 -2.5710 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -1.6990 -1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -2.4190 -1.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -1.6100 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -3.5070 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -4.4060 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -5.6930 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -6.0210 0.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -6.6980 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -8.4210 2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -9.1430 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -10.4470 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -11.5410 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -11.0800 -1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -9.7950 -2.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 -8.6950 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 -3.5740 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 -1.4420 -3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 -0.1350 -2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3700 -1.2970 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 -3.6150 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -5.1070 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -0.7510 -2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -6.9110 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -6.3160 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -7.5420 2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -8.7720 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -9.1920 2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -9.2940 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -10.8320 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -10.2600 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -11.8400 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -12.4290 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -11.8650 -2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -10.9150 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -9.9940 -2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -9.4540 -3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 -8.4080 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -7.8150 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -4.4630 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -3.6140 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -2.6980 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -8.0320 1.0030 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6370 -7.7880 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 48 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 34 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END