PUBCHEM-ZINC04879994 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3450 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -0.4290 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 0.6840 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 1.7510 0.0290 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6910 3.1500 0.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5880 3.2620 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 3.6460 -1.3960 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3860 3.0550 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 5.1090 -1.3850 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2760 5.7920 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 5.3240 0.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7350 5.7710 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 3.9990 0.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 6.2080 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 6.4900 1.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 5.2820 -2.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 3.5910 -1.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 0.7260 0.0450 S 0 5 0 0 0 0 0 0 0 0 0 0 -1.7790 -1.8320 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9750 -2.7460 -0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 -2.0710 0.0200 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8540 1.9850 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 5.6900 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 7.1420 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 7.0480 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 6.1830 -2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 3.8910 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -0.5690 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 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 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 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 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 5 1 M CHG 1 19 -1 M CHG 1 20 1 M CHG 1 22 -1 M END