NIH-ZINC04103030 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.0140 1.3560 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -0.1350 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -0.7840 -0.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -0.7470 0.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -2.1770 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -2.3640 1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -3.8340 2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -4.5540 2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -5.9030 2.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -6.5370 2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -5.8130 2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -4.4600 2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 -6.4310 3.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 -5.6250 3.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -7.8640 3.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -8.5440 3.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 0.0170 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 0.4680 1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 1.6860 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 2.0960 3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 3.3410 3.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 3.6990 5.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 2.8230 5.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 1.5920 5.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 1.2160 4.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 -0.0080 3.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -0.6130 4.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -0.3720 2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -1.4590 1.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 3.4140 7.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 4.8140 6.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 4.8320 5.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 1.6720 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 1.6160 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 1.8600 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -2.6080 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -2.6770 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -1.9340 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -1.8640 2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -4.0610 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -6.4630 2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -3.8940 2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 -4.8190 3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 -5.2020 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 -6.2390 3.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 -8.0870 3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -9.5930 3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -8.4700 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 0.8880 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -0.6120 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 2.3380 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 4.0170 3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 0.9220 6.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 5.3410 6.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 5.2530 7.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 17 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 7 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 12 2 0 0 0 0 8 9 2 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 51 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 52 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 23 24 2 0 0 0 0 23 30 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END