PUBCHEM-ZINC03745162 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.1690 1.7190 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 0.2360 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -0.2810 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -1.6580 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -2.5340 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -2.0430 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -0.6490 -1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -2.9670 -2.5070 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0280 -2.3450 -3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -3.6330 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 -3.1160 -3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7450 -3.7060 -3.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 -4.8150 -2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 -5.3380 -1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -4.7500 -1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 -5.5510 -2.5680 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0750 -5.5390 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -4.8450 -3.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -5.1790 -4.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -3.8630 -4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -3.3030 -2.8070 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3690 -2.2150 -2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 -3.7010 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -4.5090 -0.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 2.0900 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.9710 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 2.2390 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 0.3880 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -2.0510 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -3.6010 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -0.2350 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -2.2460 -3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5180 -3.2870 -3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -6.2140 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -5.1880 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4450 -6.2330 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9710 -4.5320 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1160 -5.8540 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -4.2720 -4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -5.7230 -3.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 -5.9510 -3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -5.5390 -5.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -4.0030 -4.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -3.1830 -4.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -3.9490 -2.7210 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1150 -4.5600 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 -3.0780 -1.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 -3.3950 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 45 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 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 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 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 45 1 M END