IBS-ZINC04906400 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.4890 0.4100 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -0.8740 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -1.2220 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 -0.2850 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 0.9990 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 1.3470 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 2.0210 0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8270 1.5400 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 2.7040 1.3870 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8030 4.1680 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 4.2710 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 5.3060 -0.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 3.0700 -0.9330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 2.8380 -2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 2.9250 -3.1360 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1000 3.8660 -2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 2.7930 -4.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 1.9720 -5.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3770 1.7060 -3.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 1.8080 -2.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 5.0720 1.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 2.1570 2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 2.4790 2.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 1.2700 3.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 0.7070 4.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -0.1190 5.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 -0.2330 4.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1800 0.7040 3.6140 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 -0.6570 0.9160 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6900 -1.7880 1.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 0.1690 0.8520 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5180 0.6800 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -1.6060 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -2.2250 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 2.3500 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 1.8480 -2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 3.5940 -2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 2.2590 -4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 3.7760 -5.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 1.0330 -5.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0970 2.5500 -5.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8130 0.7080 -3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1600 2.4590 -3.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 2.5700 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 0.8950 4.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -0.6380 6.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 -0.8410 5.5440 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 21 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END