NIH-ZINC02939616 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.7190 0.7500 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -0.5170 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -0.8630 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 0.1200 -1.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 1.0920 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -2.0780 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -3.1330 0.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 -2.0440 -0.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -3.3080 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8850 -3.4430 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 -0.9430 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 -0.8350 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -2.3520 1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2010 -1.5400 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1760 -1.1830 -0.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1960 -1.3070 1.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4250 -0.6230 1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8260 -0.0760 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0640 0.5850 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8980 0.7040 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5130 0.1640 2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2880 -0.4950 2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8580 -1.1500 4.1760 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.4680 1.1780 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7470 2.2920 -1.4600 F 0 0 0 0 0 0 0 0 0 0 0 0 13.7770 1.5450 -1.2190 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2700 0.3130 -2.1910 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 1.3320 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -1.1190 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 1.9450 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -4.1690 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 -3.3190 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 -3.4800 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 -4.3320 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 -0.1110 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -0.9540 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -0.6990 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 0.0490 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3320 -3.4050 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7490 -2.0290 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0650 -1.6540 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1950 -0.1500 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8570 1.2160 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1740 0.2610 3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 -2.2370 0.4460 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1840 -2.1950 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 45 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END