PUBCHEM-ZINC06185738 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 0.0980 1.0730 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 0.2350 -0.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6740 -0.5920 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -0.2540 0.2260 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4480 -1.3290 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 0.0680 -0.8900 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3650 -0.7050 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 1.6040 -1.6210 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 0.1560 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 0.2670 -1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 0.2570 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3490 0.3620 -2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7890 0.3400 -1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1020 0.2640 -0.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6990 0.4250 -2.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1360 0.4110 -2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6670 1.8000 -2.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4640 1.8020 -1.9030 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2730 1.4200 -3.7570 S 0 0 0 0 0 0 0 0 0 0 0 0 14.3560 3.0770 -4.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4470 3.9440 -3.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6080 5.2680 -4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6780 5.5790 -5.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 0.4110 1.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 1.1400 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 1.7670 2.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 1.0180 0.9640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 0.4530 -2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 1.9320 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 1.0060 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 -0.7480 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 -0.5700 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 1.1900 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5060 1.0900 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5390 -0.6650 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 -0.4730 -2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1870 1.2950 -2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3690 0.5030 -3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3520 -0.3020 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5870 0.0340 -3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4350 2.5240 -3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1750 2.1640 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5580 2.9140 -5.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3710 3.5520 -4.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2220 4.1830 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4100 3.4190 -3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 0.3610 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 1.4470 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6690 5.8980 -4.3950 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 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 2 4 1 0 0 0 0 2 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 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 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 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 17 42 1 0 0 0 0 18 19 1 0 0 0 0 19 20 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 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 48 1 0 0 0 0 M CHG 1 49 -1 M END