PUBCHEM-ZINC05116924 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.1370 1.3610 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 1.9600 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -0.0150 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -0.2590 0.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -1.1700 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 0.9460 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 1.0310 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 1.9460 0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -1.0900 -0.0860 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0740 -0.6210 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -2.0120 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 -2.8820 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2490 -2.6180 0.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -2.0500 -1.6540 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -0.7380 -2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -1.3310 -4.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5700 -1.7810 -4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -0.2330 -5.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -0.5880 -6.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -2.6590 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -1.4000 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -0.1590 -2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -0.0620 -2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 -3.7580 2.3250 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1460 0.7720 -5.2960 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5850 -2.4310 -4.6100 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0370 -3.2770 -4.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.6400 -3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -1.9670 -5.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 M CHG 1 24 -1 M CHG 1 25 -1 M CHG 1 26 1 M END