IBS-ZINC05452385 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 0 0 0 0 0999 V2000 -1.0410 1.3800 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -0.0480 0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -0.7110 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -0.1380 2.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -2.1470 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8920 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -2.2780 3.4980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -3.0740 4.7210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8870 -3.9670 4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -2.2430 5.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -1.9450 5.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -2.3550 4.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -3.4760 5.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -3.1320 4.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -2.7560 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -3.9370 -0.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -1.9690 -1.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -0.6680 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -0.0150 -2.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 1.9620 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 1.6360 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 1.6060 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -3.9640 2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -1.3090 3.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -1.3080 5.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -2.8020 6.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -2.3540 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 -1.2240 6.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -4.2150 6.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -4.4480 6.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1180 -1.0580 5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 M END