NIH-ZINC00379564 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 0.5360 1.5580 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 0.0660 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -0.7600 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1490 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -2.7270 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -1.9240 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -0.5350 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 0.4150 -1.4130 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -4.1450 -0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -4.8520 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -5.2470 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 -4.4620 0.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -4.9970 -1.3440 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -6.2270 -1.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -4.1020 -2.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -5.4630 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 1.9770 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 2.0130 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 1.8390 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -0.3250 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -2.7740 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -2.3930 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -5.7480 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -4.2280 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -6.0740 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 -6.0450 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -4.5630 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -6.3100 1.5560 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 1 0 0 0 0 2 7 2 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 21 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 M CHG 1 28 -1 M END