IBS-ZINC05454559 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 1 0 0 0 0 0999 V2000 0.1440 1.2870 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.1240 -0.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -0.8060 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -0.2830 -0.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -2.2280 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -2.9490 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 -4.2770 0.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -5.0560 0.3410 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4390 -4.4590 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 -6.3330 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 -6.0650 -1.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -5.2620 -2.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -4.8380 -1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -5.0730 -3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -6.5570 -2.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -5.4880 1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 -6.3180 2.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -2.8630 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -4.0590 0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -2.0170 -0.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -0.6710 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -0.0030 -0.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -2.5760 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 1.6820 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 1.4210 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 1.8580 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -2.4840 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -4.7630 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.0380 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -6.8450 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -3.5890 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -1.9330 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 -2.5930 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9090 -4.9680 2.3230 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 M CHG 1 34 -1 M END