PUBCHEM-ZINC05749690 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 0 0 0 0 0 0999 V2000 0.1780 1.0540 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.0920 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -0.4850 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 0.3030 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 1.4670 0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 1.8280 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 2.2650 0.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8560 2.8490 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 3.6890 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4270 4.3200 -1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 5.0680 -1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0800 4.9770 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 4.0120 0.5190 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2550 5.6020 0.0830 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9230 6.2880 -0.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5230 5.4200 1.2770 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0720 -1.7200 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -1.9680 -1.8920 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6590 1.3410 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -0.6890 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 0.0020 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 2.7190 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 2.7260 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 4.2460 -2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1210 5.6340 -2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.4140 -1.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 26 2 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 18 -1 M END