PUBCHEM-ZINC06361546 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 0 0 0 0 0999 V2000 -0.1590 1.6250 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 0.4270 0.4170 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4800 -0.4300 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 0.8550 0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 2.2910 -0.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 2.7930 0.4350 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1910 3.1340 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 4.2540 1.4800 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 3.6450 2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 3.8560 2.1860 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7200 4.8810 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 3.4350 3.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 2.3110 3.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 0.0480 -0.8620 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3340 0.8500 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -1.2100 -1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -2.2870 -0.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 1.6700 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 1.5640 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 2.2590 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 4.2220 3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 2.6000 2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 4.2130 4.3470 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8300 2.9430 1.0300 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4700 3.3510 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 2.5490 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3490 2.1640 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -1.0080 -2.4420 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7740 -0.3270 -0.5900 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -1.2540 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -0.5460 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 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 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 23 -1 M CHG 1 24 1 M CHG 1 28 -1 M END