IBS-ZINC04906400 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 1.1030 -0.2050 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -1.1740 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -0.8340 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 0.4750 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 1.4440 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 1.1040 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 2.8720 0.2870 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1600 3.0780 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 3.1200 1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 4.1250 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 4.5140 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 5.3640 1.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 3.7880 -0.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 3.8950 -1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 3.0540 -1.4260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5280 2.0020 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 3.2410 -2.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 3.2270 -2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 3.0340 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 3.5200 -0.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 4.6010 3.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 2.4780 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 1.4160 2.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 2.9370 3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8020 2.1680 4.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1180 2.8700 6.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 4.1670 5.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 4.5800 4.2540 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 0.8400 -0.4200 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0120 -0.0230 -0.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 2.0020 -0.3120 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0630 -0.4700 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -2.1970 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 -1.5910 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 1.8610 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 4.9370 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 3.5310 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 4.1950 -3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 2.4180 -3.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 4.1740 -2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 2.3970 -2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 3.6170 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 1.9780 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8690 1.0360 2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 1.1180 4.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1380 2.4110 7.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 4.8570 6.6920 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 22 2 0 0 0 0 10 11 1 0 0 0 0 10 21 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END