NIH-ZINC04111541 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 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 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4480 -2.1010 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -3.9620 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 -4.5670 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 -4.1380 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 -2.6720 1.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 -1.9810 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0850 -1.9730 1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0510 -0.7630 1.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4060 -2.6950 1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5370 -1.6770 1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8220 -2.3790 1.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1750 -1.5860 2.2770 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.2470 -2.5150 2.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8120 -0.9390 3.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5220 -0.3080 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3450 -0.5640 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6190 0.4360 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0660 1.6980 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2400 1.9510 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9740 0.9490 1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6400 3.3210 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3450 3.9370 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5480 3.8010 -1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8080 4.6800 -2.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3390 2.7140 -1.6310 N 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 -4.2850 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -4.2960 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 -4.2130 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 -5.6540 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9970 -4.4830 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 -4.5660 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 -2.2330 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -0.9040 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5520 -3.2630 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4100 -3.3750 2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3920 -1.1090 2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5330 -0.9970 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8790 -3.3080 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7750 -1.5460 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2620 0.2350 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3340 1.1470 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3430 3.9560 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7140 3.2390 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1030 4.9930 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4980 3.4230 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1040 2.6360 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 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 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 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 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 31 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 57 1 0 0 0 0 M END