NIH-ZINC05034692 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2190 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 0.0360 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4180 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 2.1180 -0.0200 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -2.1670 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -2.9730 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -4.2720 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -4.2840 -0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -2.9560 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -5.6330 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -5.2320 -0.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -6.6820 -0.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -6.0660 1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -6.0010 2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -6.3370 3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -6.7430 4.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -6.8350 3.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -6.4890 2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -6.6360 2.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -7.1320 3.4840 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -7.2000 4.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -5.3890 -0.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 -0.4850 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1670 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 -2.6230 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 -5.6810 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -6.2700 3.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -6.9960 5.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 -5.2760 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -6.2790 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 25 34 1 0 0 0 0 25 35 1 0 0 0 0 M END