NIH-ZINC00469964 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 0.0020 1.4980 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.0090 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.7560 1.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -2.0660 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -3.2620 1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -4.4680 0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -4.4970 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -3.3240 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -2.1040 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7860 -1.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.3140 -2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -5.6690 1.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -6.7460 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -6.7020 -0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -7.8720 1.7250 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -8.9830 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -10.1120 1.8670 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -11.0630 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 -10.7220 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -9.0580 -0.2650 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.8740 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 1.8560 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 1.8530 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -3.2440 2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -5.4450 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -3.3530 -2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -0.1850 -2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -1.0450 -3.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 0.6400 -2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -5.7250 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -7.9080 2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -12.0390 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 -11.3550 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 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 31 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 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 M END