IBS-ZINC05208172 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 0.0720 1.4910 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.0350 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -0.6900 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -1.0380 -2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -1.1590 -3.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 -1.2180 -2.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 -1.0880 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -1.2640 -1.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 -0.7740 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -0.5580 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 -0.2680 1.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0080 -0.6560 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4890 0.7650 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7260 1.6840 1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 2.9870 2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3710 3.3710 1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1340 2.4510 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6950 1.1470 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.7020 -2.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -0.3710 -2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -0.7070 -3.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 -0.3660 -3.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 0.8950 -4.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 1.2080 -4.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1490 0.2590 -3.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7440 -1.0020 -3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 -1.3160 -3.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 1.8110 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 1.9290 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 1.8200 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -0.4730 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -0.3540 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -1.4480 -3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 -0.9270 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -1.3250 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 1.3840 2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 3.7050 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7150 4.3890 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0740 2.7510 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2930 0.4280 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -1.0750 -3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 -0.9500 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 0.6930 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 -0.1280 -4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -1.7710 -3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 1.6360 -4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5260 2.1930 -4.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2010 0.5040 -3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4780 -1.7430 -3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0810 -2.3020 -3.1740 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 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 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 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 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 M END