NIH-ZINC04003758 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 0.0260 1.4810 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.0120 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -0.6730 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -2.3750 -0.2720 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -2.0680 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -0.7240 0.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -0.4900 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -1.6840 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -2.6320 0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -1.9100 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1030 -3.1970 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4550 -3.4020 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2880 -2.3310 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7700 -1.0500 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 -0.8360 0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6120 -2.5360 1.1640 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -0.1060 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 0.2160 -1.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 0.0560 0.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 0.7220 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -0.1710 1.4480 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7660 -1.0820 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -0.5070 2.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 -1.2640 2.7840 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0920 -2.1780 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 -0.4220 2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 -1.6180 4.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9600 0.5790 1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 1.8460 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.9580 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 1.7200 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 0.4680 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 -4.0330 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8630 -4.4000 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4240 -0.2170 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 0.1630 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 0.8670 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 1.6870 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 0.4300 2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 -1.0340 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -0.7030 4.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -2.1950 4.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 -2.2100 4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8230 1.4890 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7010 -0.0560 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3040 0.8380 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 23 24 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 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M END