NIH-ZINC04035572 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 0.5100 2.3020 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 0.7970 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 0.0750 2.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -1.2660 2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -1.8170 1.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -2.0830 3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -3.5080 2.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -4.4340 3.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 -4.0860 4.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -5.9000 3.4230 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1210 -6.1470 3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -6.2110 1.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -7.6430 1.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -7.9480 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -9.2620 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -10.2710 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 -9.9650 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -8.6510 1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 -6.6940 4.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -7.2840 5.7450 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -8.0250 6.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -6.1960 6.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -8.4470 5.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -9.7650 5.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -10.4810 4.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -9.7440 4.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -8.0490 4.8080 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 2.5800 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 2.8440 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 2.5540 2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 0.5190 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 0.5450 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0030 -1.8360 3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -1.8610 4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -3.7860 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -5.5480 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -6.0590 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -7.1610 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -9.5010 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -11.2970 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -10.7530 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1150 -8.4120 2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -6.8740 4.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -10.2380 5.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -11.5540 4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -10.1290 4.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 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 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 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 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 M END