PUBCHEM-ZINC05764923 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 23 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0220 -0.7050 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.2480 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -1.1350 3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.5020 3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.9780 1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.0850 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -2.3430 -0.8230 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6590 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 0.0860 -2.6940 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 0.0980 -3.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 1.2600 -2.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 0.8120 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -0.7700 4.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -3.1940 4.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -4.0420 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.8550 -3.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -0.5380 -4.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 2 1 M END