PUBCHEM-ZINC01186607 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 1.0810 1.4400 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -0.0240 0.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -0.6860 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -0.1260 2.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -2.1450 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -3.0720 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -4.4830 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -4.8380 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -6.1650 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -7.1510 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -6.8160 2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -5.4870 2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -5.1580 3.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -6.2330 4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -5.6790 6.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -5.3510 6.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -4.8430 8.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -4.6620 8.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -4.9910 8.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -5.5030 6.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -4.1170 10.1700 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1420 -3.8280 10.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -3.9580 10.7480 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2380 -2.4220 -0.4990 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -0.7000 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -0.2240 -1.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 1.7590 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 1.8220 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 1.8280 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -2.7700 2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -4.0720 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -6.4380 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -8.1880 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -7.5910 2.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -6.7890 4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -6.8980 4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 -5.4920 6.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -4.5860 8.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -4.8500 8.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -5.7630 6.3910 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 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 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 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END