CHEMBRIDGE-ZINC00460177 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -0.8800 0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -2.5720 -0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1390 -2.7080 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -3.5600 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 -3.3920 1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -2.5920 1.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -2.5460 2.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1410 -1.7670 3.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4790 -1.8720 4.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 -2.7440 5.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -3.5170 5.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -3.4230 3.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -4.2520 2.8770 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -2.8220 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -2.9420 -1.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -3.3660 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -4.5780 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 -1.0830 2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 -1.2680 5.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -2.8160 6.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -4.1960 5.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -2.9110 -2.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -3.0720 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 28 29 1 0 0 0 0 M END