NIH-ZINC00315061 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -0.9500 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 -1.6650 -1.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -2.3870 -2.8930 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2160 -2.9580 -2.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 -3.1430 -3.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2460 -1.1050 -4.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4930 -0.5130 -4.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 0.4920 -5.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7110 0.9060 -5.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 0.3140 -5.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2330 -0.6950 -4.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0070 2.1890 -7.0750 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 2.7590 -7.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 2.9460 -6.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5360 1.4680 -8.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.1100 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -1.6640 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -1.5470 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 0.0070 -1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 -1.7160 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2860 -0.8370 -3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6990 0.9550 -5.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 0.6380 -6.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 -1.1600 -4.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6270 0.5030 -8.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7560 2.0110 -9.2420 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END