IFLAB-ZINC05144761 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 0.3820 -0.1390 0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 1.5260 2.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 2.7280 3.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 2.3780 3.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 1.7960 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 0.6020 1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 2.6250 4.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 2.6860 4.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 2.9220 5.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 3.0970 6.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 3.0610 6.8930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 2.8260 5.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 3.3290 8.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 2.7660 8.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6370 3.0090 9.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9970 3.8170 10.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 4.3640 10.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 4.1260 9.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 5.2150 11.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 4.6170 12.9980 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 5.6490 13.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 4.1220 13.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 3.2290 12.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 3.1210 13.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 1.8030 12.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 0.9500 12.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 1.7380 12.4010 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -0.9670 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 0.2270 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.4370 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 1.8200 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 0.7040 3.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 3.0830 4.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 3.5540 2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 1.4290 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 2.5660 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -0.2320 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 0.2660 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 2.5830 3.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0040 2.9840 5.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5720 2.1180 7.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6040 2.5710 10.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4880 4.0170 11.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 4.5720 9.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 5.7720 11.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 3.9540 13.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 1.4960 13.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -0.0990 12.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 0.9910 1.5130 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3990 1.7540 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 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 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END