NIH-ZINC04257977 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 1 0 0 0 0 0999 V2000 2.5280 -4.8010 8.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -3.9420 7.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -3.4910 6.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 -2.7500 6.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -3.6370 7.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -4.0900 8.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0710 -2.2760 5.3220 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2990 -1.6770 4.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 -1.4170 5.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -0.8150 4.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9600 -0.0070 4.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0090 1.2910 4.9060 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7890 1.1630 5.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5020 1.5940 4.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0730 2.5900 5.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 0.5710 4.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 -0.4020 3.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4780 -1.4360 3.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1680 2.3810 4.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8020 2.5540 4.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9870 3.6540 4.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 3.8620 4.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 4.9750 4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 5.2090 4.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 6.3210 4.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 6.8950 3.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 -3.3860 4.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0940 -3.8780 4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -5.0500 9.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 -5.7490 8.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -4.5060 7.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -3.0610 8.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -4.3690 5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -2.8360 5.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -1.8520 7.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -4.5230 6.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3980 -3.0920 7.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -3.2190 9.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 -4.7590 9.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 -0.6150 6.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1680 -2.0200 5.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 -1.6170 3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 -0.1910 3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0800 0.5320 3.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 3.3430 4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 2.1590 3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 1.6150 4.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 2.8130 5.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 4.5930 4.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 3.3900 3.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 2.9280 4.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 4.1190 5.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 5.9030 4.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 4.7140 3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 4.2840 4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 5.4670 5.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 6.5220 4.8590 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 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 44 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 25 57 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 57 -1 M END