PUBCHEM-ZINC04879994 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 1 0 0 0 0 0999 V2000 0.0120 1.2910 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 0.0070 -0.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -0.4420 -0.0560 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0800 0.8290 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 1.8460 0.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 3.2890 0.3070 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5150 3.7700 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 3.7510 1.7740 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0290 3.1700 2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 5.1580 1.5820 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1210 5.8660 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 4.9460 0.5170 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9610 5.7860 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 3.7720 -0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 4.7270 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 4.4010 -0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7450 3.7120 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 5.6720 2.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 5.3880 3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 3.8490 2.2400 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6690 0.8590 0.7820 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -1.0990 -1.2580 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0430 -0.4450 -2.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -2.2610 -1.1110 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8770 1.9590 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 3.8970 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 5.6260 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -1.1500 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 21 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 20 -1 M CHG 1 22 1 M CHG 1 24 -1 M END