IBS-ZINC02100753 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 -0.0120 1.5750 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 0.0400 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -0.5400 0.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0220 -0.1270 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -2.0780 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 -2.7360 0.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -0.2330 1.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -0.2820 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 0.0060 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 0.0480 0.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0630 0.1830 2.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 2.0970 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 3.5460 -0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 4.2240 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 3.7140 -0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 5.5760 -0.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.9160 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 2.0040 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -0.3600 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.2880 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 0.1730 3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 0.3280 2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 1.7980 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 1.6860 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 4.0710 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 6.0090 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 6.1590 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -2.4850 -1.3690 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 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 19 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 M CHG 1 28 -1 M END