NIH-ZINC00615180 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -1.1860 1.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -0.1910 2.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -0.6760 3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -0.1900 4.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 0.9080 5.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 1.3540 6.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 0.7040 7.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -0.3940 6.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -0.8400 5.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -1.9160 4.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -2.5370 5.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -0.8750 -2.5520 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -1.2570 -3.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -1.7230 -2.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 0.6030 -3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 1.4060 -4.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 2.5650 -4.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 2.9210 -4.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 2.1180 -3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 0.9560 -2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 0.3560 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -1.7660 3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -0.2990 3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.4170 5.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 2.2110 7.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 1.0540 8.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -0.9010 6.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -3.3800 4.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -2.8900 6.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -1.8130 5.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -0.5560 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 1.1280 -4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 3.1930 -5.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 3.8270 -4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 2.3960 -2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 0.3270 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 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 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 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 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END