IBS-ZINC04285065 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 32 0 0 1 0 0 0 0 0999 V2000 0.1060 1.2040 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -0.1420 -0.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -0.9240 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -0.5280 -1.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -2.2690 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -3.0350 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -4.2820 0.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 -5.0980 0.4040 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3250 -4.4630 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 -5.9440 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -5.2490 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 -4.3700 -1.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 -6.0860 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -6.4040 1.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -2.7600 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -3.9060 0.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -1.8290 0.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -0.5240 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 0.2530 -0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 -2.2400 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 1.4120 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 1.3420 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 1.9200 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 -2.6780 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -4.7310 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -6.8340 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -6.3110 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 -3.2880 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -1.6110 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3350 -2.0790 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 -5.6780 -3.1270 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2600 -6.4470 2.2230 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 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 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 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 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 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 20 1 0 0 0 0 18 19 2 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 M CHG 1 31 -1 M CHG 1 32 -1 M END