IBS-ZINC00639657 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.3010 1.0160 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -0.4850 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -1.0290 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -2.3760 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -3.2040 0.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -4.5700 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -5.5770 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -6.8770 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -7.1640 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -6.1490 -1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -4.8390 -1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -3.7000 -2.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -2.7270 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -1.3230 -1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.8480 -2.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.4380 -3.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -2.9430 2.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -3.6360 2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -4.3630 4.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -6.1860 5.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 -4.3760 4.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -0.0720 2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 0.7850 2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 2.1600 2.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 2.9660 3.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2630 2.4050 3.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 1.0380 3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 0.2310 2.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 1.5200 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 1.3290 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 1.4040 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -5.3680 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -7.6760 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -8.1800 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -6.3580 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -2.7940 3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -2.8960 2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -4.3550 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -5.0500 4.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -3.6620 5.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -5.6290 6.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -6.8210 5.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -6.7970 5.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 -3.7790 3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -3.7410 5.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2840 -5.0610 5.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 0.5570 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -0.6070 3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 2.6190 2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 4.0310 3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 3.0330 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 0.5970 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 -0.8310 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -5.1990 4.4980 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4780 -5.7670 3.6700 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 14 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 3 0 0 0 0 17 18 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 39 1 0 0 0 0 19 40 1 0 0 0 0 19 54 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 54 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END