IBS-ZINC04729531 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 23 0 0 0 0 0 0 0 0999 V2000 -0.0300 1.3940 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 0.0640 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -0.6000 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 0.0480 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 1.4190 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 2.0660 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 2.2760 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 1.9780 -0.3120 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6420 -0.7110 -0.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0320 -1.6620 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 -2.1040 -1.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 -2.1380 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 -1.5040 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 -0.6230 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -0.0790 1.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 1.9180 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -0.4630 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -1.6510 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 3.1220 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 -2.8680 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 -1.6030 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4950 3.2670 1.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 22 2 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 M CHG 1 8 -1 M END