PUBCHEM-ZINC05962793 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -1.5280 -0.5120 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.1080 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -0.6580 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -0.5930 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -0.2330 -1.0640 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7260 -0.6580 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 -0.8830 -2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -2.0030 -2.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 -2.3700 -3.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 -1.5090 -4.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -0.2200 -3.8110 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 -3.5780 -3.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 -3.7930 -4.7020 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9060 -0.0950 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -1.6010 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -0.1390 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 0.9880 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -1.7520 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -0.2700 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -0.3660 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -1.6860 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -0.1910 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2790 -1.5860 -5.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 -4.3300 -2.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 1.2200 -1.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 1.6020 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 1.6600 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 13 -1 M END