IBS-ZINC02211248 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 -0.8010 0.5620 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -0.8640 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -1.6140 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -2.9070 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -2.7480 -0.5360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -1.6460 -0.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -4.1210 1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -5.3860 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -6.5120 1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -6.3880 2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 -5.1350 3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -4.0020 2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -1.2270 2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -1.4080 3.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -0.6730 3.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -0.3180 4.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -0.5730 5.5910 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 0.2360 5.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 0.6850 6.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -0.1090 7.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 0.3370 8.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 1.5720 9.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 2.3650 8.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 1.9230 6.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 2.1370 10.7260 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 3.5550 10.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.4400 11.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 1.6210 11.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 1.9050 12.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 2.6340 13.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 1.4770 13.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 1.2380 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 0.7180 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 0.7610 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -5.4840 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -7.4930 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -7.2720 3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -5.0440 4.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -3.0240 2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 -0.5280 2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 0.3240 4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -1.0730 7.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -0.2800 9.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 3.3300 8.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 2.5410 5.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 2.9370 12.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 2.8460 14.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 0.9620 12.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 1.6890 14.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 13 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 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 M END