PUBCHEM-ZINC03213276 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 1.0820 1.4400 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -0.0230 0.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -0.6850 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -0.1260 2.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -2.1460 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -3.0720 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -4.4840 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -4.8380 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -6.1650 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -7.1510 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -6.8160 2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -5.4880 2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -7.8790 3.2080 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3270 -9.0480 2.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -7.5850 4.3900 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0960 -6.5390 -1.5610 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0280 -5.6740 -2.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -7.7110 -1.8850 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2390 -2.4210 -0.4980 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -0.7000 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -0.0300 -2.2680 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 1.7590 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 1.8230 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 1.8280 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -2.7700 2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -4.0720 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -8.1890 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -5.1580 3.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -5.0090 4.2540 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 20 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 28 29 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M CHG 1 16 1 M CHG 1 18 -1 M END