IBS-ZINC05158609 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6040 -0.3640 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -0.5340 0.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8260 -0.2570 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -2.0580 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -2.5640 0.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -3.9720 0.1490 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8540 -4.6370 -0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 -4.5190 0.3350 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2440 0.0300 -0.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -0.4660 -1.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 2.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 3.4330 0.0070 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4020 4.1100 0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 3.9720 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -2.3340 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -2.4840 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -0.1760 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -0.1830 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M CHG 1 14 1 M CHG 1 16 -1 M END