PUBCHEM-ZINC00168701 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -2.5930 0.7360 2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 1.5860 2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 0.9860 2.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 1.7730 3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 3.1500 2.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 3.7450 2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 2.9640 2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 3.7170 2.6070 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4070 2.9310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -1.1370 3.8930 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -0.5000 5.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -2.5370 3.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -0.7340 3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -0.0020 3.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 0.3140 3.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -0.1020 2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -0.8350 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 -1.1550 1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -1.9440 1.1560 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4510 -2.4260 0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -2.1100 1.5560 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9880 0.5380 3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 1.2630 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -0.2070 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 1.3090 3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 3.7620 3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 4.8220 2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -0.9460 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 0.3230 4.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 0.8860 4.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1700 0.1450 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 -1.1600 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 9 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 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 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END