PUBCHEM-ZINC03030586 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 23 0 0 0 0 0 0 0 0999 V2000 0.0080 1.0610 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -0.1730 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 -0.2880 -0.5880 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 1.2960 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 1.9260 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 3.5610 1.2210 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 4.3550 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 5.8090 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 6.4880 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 7.9530 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 8.3780 1.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 1.7880 -0.4250 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1460 2.1740 0.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 1.7500 -1.6140 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9110 1.3230 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -1.0110 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 4.3040 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 3.8060 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 5.8520 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 6.3620 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 6.4390 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 5.9430 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 8.5610 -0.9560 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 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 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M CHG 1 23 -1 M END