NIH-ZINC01054188 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.0580 1.4810 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 0.0060 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -0.9040 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -2.1680 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -2.0120 -0.8890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.6530 -1.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -3.5050 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -3.9250 1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -5.1920 2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -6.0660 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -5.6660 1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -4.3900 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -3.9490 0.2190 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -3.1030 1.7590 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -0.5460 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 0.5170 2.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -1.4590 3.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 -1.2810 4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 -0.3720 5.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -0.2930 6.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 -1.1030 7.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -1.0270 8.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -0.1370 9.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 0.6640 8.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 0.5840 7.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -0.0560 11.2840 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 0.3400 11.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -1.4270 11.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 1.0260 11.5580 N 0 5 0 0 0 0 0 0 0 0 0 0 3.4770 1.8970 11.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 1.9140 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 1.8320 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 1.8600 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -5.4890 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -7.0570 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -6.3540 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.2800 2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -0.8750 5.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -2.2800 5.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 -0.7320 4.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 0.6390 4.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -1.7960 6.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0320 -1.6540 9.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 1.3470 9.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 1.2150 6.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 29 -1 M END