PUBCHEM-ZINC05113818 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 25 0 0 1 0 0 0 0 0999 V2000 -0.0630 1.5460 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 0.0200 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -0.5290 0.1970 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -2.3350 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 -3.1490 0.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4370 -2.8170 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -4.6370 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -5.4090 0.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -3.1060 1.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 2.0140 -0.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9180 1.5040 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 3.5440 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 3.9480 0.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 1.9060 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 2.0020 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -0.4210 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -0.3580 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -2.5680 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.5470 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 -4.0750 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -4.8800 -0.9470 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9650 4.1270 -1.2000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1360 1.6720 1.1870 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6040 2.6240 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 0.9650 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 1.5110 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 14 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 2 17 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M CHG 1 21 -1 M CHG 1 22 -1 M CHG 1 23 1 M END