IBS-ZINC05274145 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.2840 1.7220 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 0.4570 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -0.2970 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 0.2110 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 1.4760 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 2.2300 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -0.6200 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 -0.1360 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 -0.9020 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2600 -2.2650 -0.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5350 -2.6210 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2890 -1.5110 -0.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5280 -0.4030 -0.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7090 -1.4020 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0060 -0.4060 -1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7980 0.9330 -2.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3000 1.0720 -3.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8960 -0.1570 -3.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5330 -1.4260 -3.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0300 -1.5560 -2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9880 -4.0000 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1640 -4.3240 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5670 -5.6570 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7940 -6.6800 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6040 -6.3780 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 -5.0510 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -4.8130 -1.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 2.3080 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 0.0570 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -1.2830 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 1.8870 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 3.2110 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -1.6840 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 0.9270 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1910 -1.0990 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0680 -2.3950 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4900 -0.6660 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7000 0.6030 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4120 1.7850 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2630 0.8560 -3.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5100 1.9610 -3.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7860 1.2280 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5230 -0.2270 -4.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9850 -0.0570 -3.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9070 -2.3000 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0340 -1.4220 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4960 -1.6470 -3.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8150 -2.4260 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7740 -3.5550 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4810 -5.9000 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1090 -7.7160 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9850 -7.1720 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7520 -3.8820 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4990 -0.3250 -2.1520 N 0 3 0 0 0 0 0 0 0 0 0 0 12.0070 -0.2280 -1.2610 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 54 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END