IBS-ZINC00546350 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 23 0 0 1 0 0 0 0 0999 V2000 -0.3980 1.4420 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -0.0330 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -0.6990 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -2.1610 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -2.8450 2.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -2.7180 -0.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -3.7110 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -2.0290 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -2.7730 -2.7770 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -0.6920 -1.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -0.1660 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -0.0930 2.5870 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1090 0.9280 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.0190 3.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -0.8250 3.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -1.0860 3.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 2.0130 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 1.8610 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 1.6200 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -0.9600 3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 0.5340 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 0.5930 4.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -1.0190 4.7220 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 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 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 M CHG 1 23 -1 M END