PUBCHEM-ZINC05555061 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 24 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0210 -0.6500 1.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.1700 2.5460 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -1.1250 3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -1.6200 4.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -2.6350 5.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -3.1590 5.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -2.6680 5.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -1.6490 4.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -1.1210 3.7450 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4770 -1.5810 4.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -0.2250 2.9190 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7500 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -1.2130 3.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -3.0210 5.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -3.9530 6.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -3.0800 5.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.0380 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -1.3650 -1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -1.3890 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END