IBS-ZINC05204872 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5150 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -0.2210 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 0.0910 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 0.3470 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 0.2840 0.9540 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -0.0160 2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9850 -0.2650 2.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 -0.0760 3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 0.1810 3.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2410 0.1240 4.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -0.1880 5.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2930 -0.4450 5.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 -0.3850 4.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 0.7460 -1.6980 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 0.9580 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 1.3200 -2.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7340 2.0680 -2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1540 2.2860 -2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6740 1.0430 -1.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8880 0.4540 -0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4650 0.2180 -1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 0.1670 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4690 -1.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -0.5370 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.0170 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 -1.5900 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9400 0.4240 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3020 0.3240 4.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2520 -0.2310 6.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8380 -0.6890 6.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 -0.5810 4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6770 1.7570 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 0.0290 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 0.5210 -3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1590 2.2490 -2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3130 3.0230 -3.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7630 1.3860 -3.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7890 2.6590 -3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1320 3.0100 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3300 -0.4970 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8580 1.1250 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4900 -0.4950 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8480 -0.1780 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 1.2120 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -0.3310 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -0.1770 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -1.6270 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -0.1870 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9020 1.4920 -1.8890 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 M END