PUBCHEM-ZINC05749690 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3770 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 0.0230 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 1.4170 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 2.1250 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 3.1530 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 3.8870 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 4.9760 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4360 5.4950 -1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 4.8560 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3160 3.5470 0.1790 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5570 5.2360 -0.1230 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0920 6.1900 -0.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1570 4.5940 0.7200 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2370 -2.1670 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -2.7620 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9010 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 -0.5020 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 3.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 3.4430 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 5.3880 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 6.3550 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -2.8540 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -3.8200 -0.0190 H 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 2 0 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END