IBS-ZINC06664110 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.1080 1.4530 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -0.0690 0.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2580 -0.5320 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -0.5180 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -1.1100 1.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -0.4690 1.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -1.7060 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -2.1230 2.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -1.3170 3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -0.2570 3.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -1.7870 4.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -2.9540 4.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 -3.3210 5.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 -3.7370 3.6090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 -3.3960 2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -4.1180 1.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 1.8900 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 1.0680 -0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 1.7570 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 1.9170 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 0.1570 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -2.3710 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -1.2680 5.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 -4.5700 3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -0.2590 -0.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 3.1920 -0.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 3.4240 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -0.5660 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 M END