IBS-ZINC02094258 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 0.1500 0.2920 3.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 0.1420 2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -1.1100 1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -2.2780 1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -3.4350 1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -4.4760 1.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -3.4180 1.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -2.2900 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -1.0970 1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 0.0750 2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 0.0590 1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 -1.1170 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 -2.2900 1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5080 -1.1170 1.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0120 -1.1350 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2730 -1.0550 -0.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -1.2530 -0.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0220 -0.7680 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8910 -2.7320 -0.0830 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9620 -2.8180 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 -3.4240 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -3.3960 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4310 -2.8040 2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8690 -0.6060 -1.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0110 0.5930 -1.3050 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 0.9520 -2.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6270 1.5240 -0.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5260 -0.1250 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4210 -0.6310 -1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6100 -1.1940 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9040 -1.2500 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0100 -0.7430 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8230 -0.1760 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2000 -1.8650 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 0.3590 4.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 1.1960 4.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -0.5740 4.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 0.0740 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 1.0070 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -2.3210 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 0.9900 2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 0.9640 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 -3.1980 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3620 -2.9510 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3990 -4.4780 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -3.3380 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5030 -3.2180 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7310 -4.4690 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2660 -3.3490 3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4790 -2.8860 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1760 -1.7540 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4450 -0.8800 -2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1910 -0.5870 -2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3090 -1.5900 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2400 -0.7870 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1260 0.2240 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9700 -1.0950 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0600 -2.3040 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5060 -2.6400 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 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 19 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 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 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 M END