NIH-ZINC00467220 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 1 0 0 0 0 0999 V2000 -0.3080 0.9290 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.1850 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -0.4790 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.3750 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 1.4900 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 1.7590 0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 3.1350 1.7260 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 0.0340 -0.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9150 0.6650 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 1.6820 0.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 -0.0670 -0.4660 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0570 -0.2460 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3960 -1.3710 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 -0.9340 1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1460 0.1200 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3620 0.7150 -0.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -1.6980 -1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -1.8850 -1.6520 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3630 1.1410 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -0.8340 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 2.1570 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 -0.8340 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4820 -1.8620 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9430 -2.0770 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 -0.4810 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8680 -1.7470 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4740 0.8930 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0320 -0.3260 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -2.4270 -1.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 2 0 0 0 0 M CHG 1 18 -1 M END