PUBCHEM-ZINC04194756 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 28 0 0 0 0 0 0 0 0999 V2000 -0.0480 1.4120 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -0.0830 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -0.5870 -0.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -0.7860 0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -2.2320 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -2.7360 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 -1.8200 0.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 2.0510 -0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 3.4040 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 4.1910 0.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 3.8640 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 5.2950 -0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 5.9940 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1580 5.4720 -0.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9870 7.4820 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 1.8460 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 1.5910 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -0.3510 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -2.4670 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -2.7190 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 1.4390 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 3.3610 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 3.6400 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 5.7650 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 8.0020 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 7.8520 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -3.9780 0.1460 O 0 5 0 0 0 0 0 0 0 0 0 0 4.1470 7.8220 1.7980 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 9.1590 1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 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 4 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 28 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 1 27 -1 M END