PUBCHEM-ZINC02812945 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -1.3700 0.3680 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -0.6890 0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -0.9540 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -0.2130 2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -0.4880 2.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -1.5130 2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.2470 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -1.9760 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 -3.3300 0.9640 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5440 -3.5710 1.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -3.9790 -0.0230 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4640 0.2960 4.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 -0.3210 5.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 -1.7620 5.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 -2.5990 4.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -2.0820 6.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 -1.1120 7.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 -1.3210 9.0320 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 0.4290 6.7200 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -3.4890 7.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -3.9520 6.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 -5.4210 6.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 -5.8780 6.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7770 -7.3240 6.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -7.6950 6.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -6.3320 6.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 1.3000 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 0.4740 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 0.1370 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 0.5770 2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 -1.7280 3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 1.3640 4.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -3.5980 8.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -4.0950 6.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 -3.8420 5.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 -3.3450 6.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -5.5710 7.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 -5.2370 5.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 -5.8460 7.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1170 -7.3850 4.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 -7.9940 6.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 -8.3090 5.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 -8.2150 7.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 -6.4090 6.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 -5.9630 5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -2.7070 -0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -2.3450 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 46 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END