IFLAB-ZINC02458584 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 23 0 0 0 0 0 0 0 0999 V2000 -0.0850 1.3620 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -0.0630 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -0.5300 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 0.7220 -0.0260 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 1.9450 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 3.3830 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 3.8930 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 5.2770 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 6.1090 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 5.5260 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 5.8080 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 -1.9540 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -2.7860 -0.0120 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0000 1.9420 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -0.7060 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 3.2360 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 7.1890 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 6.1330 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0880 5.1950 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 6.8080 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 4.1940 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -2.2690 -0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 21 2 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 21 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 22 2 0 0 0 0 M CHG 1 13 -1 M END