PUBCHEM-ZINC04477522 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1770 3.9450 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 4.1000 1.4320 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5960 3.7860 2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 5.6290 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 6.0350 0.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 5.6060 -0.9550 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 5.9600 -1.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 4.0890 -0.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1590 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.7540 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 6.0400 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 5.9940 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 3.8680 2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 3.5470 1.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 2.5390 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 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 25 26 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END