PUBCHEM-ZINC01099795 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 0 0 0 0 0 0999 V2000 0.0380 1.6870 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.0870 -0.1260 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -0.5160 1.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 -0.4370 -0.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -0.5990 -1.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -0.1670 -1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 -0.3850 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 0.0560 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 0.7120 -1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 0.9120 -2.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 0.4760 -2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 1.5730 -4.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 1.0020 -4.9490 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 1.6820 -6.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 1.0340 -4.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 -0.7000 -5.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 -0.1710 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 -0.8100 1.5610 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0550 1.9930 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 2.0060 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 2.1160 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -0.6840 -2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -0.9080 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9100 1.0710 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 0.6390 -3.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 1.9440 -4.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -0.7360 -5.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8940 -1.1290 -5.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 -1.2450 -4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 0.2950 0.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 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 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 2 0 0 0 0 M CHG 1 18 -1 M END