IBS-ZINC06664425 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.1090 1.2520 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 1.2280 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 0.5860 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -0.0170 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -0.0150 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 0.6290 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 -0.7200 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 -1.9380 0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 0.0210 -0.2990 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 -0.6970 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1140 -0.2520 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 1.2790 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9130 1.9770 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 1.4810 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1810 1.6720 1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4780 2.1110 1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9360 2.3400 2.8760 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8530 2.6730 3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9080 2.0290 3.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8360 1.6210 3.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1990 2.3040 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4580 1.5490 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 1.7490 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 1.7030 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 0.5540 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 -0.5130 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 0.6400 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9380 -1.7800 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4350 -0.5020 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7820 -0.6080 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0680 -0.7570 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4880 1.7850 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0190 3.0660 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2080 1.7810 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 1.9450 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0030 2.1190 4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2290 3.3740 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2320 1.9470 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7700 1.9070 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6240 0.4690 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9560 1.7730 -0.6990 N 0 3 0 0 0 0 0 0 0 0 0 0 7.5050 1.3630 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8030 2.7880 -0.7660 H 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 M CHG 1 41 1 M END