PUBCHEM-ZINC05998120 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 0 0 0 0 0 0999 V2000 -0.2600 -0.8780 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 0.4380 -0.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 1.1020 0.4150 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 2.4530 -0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 0.7350 1.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 0.3520 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -0.5750 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -1.1630 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 -0.8250 -1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 0.1020 -2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 0.6870 -1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.6760 -2.3330 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8920 2.5820 -2.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 1.5830 -2.4180 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6020 -1.5190 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -0.8370 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 -1.2820 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 -0.8400 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 -1.8870 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8040 -1.2840 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 0.3670 -3.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 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 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 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 END