IBS-ZINC02667123 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.1150 1.3160 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.2000 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -0.6530 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -0.9980 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 -1.4060 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -1.4650 3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -1.1180 3.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.7050 2.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -0.3370 2.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 -0.3120 3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 0.1710 3.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 1.4250 3.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 -1.8600 4.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -1.7760 2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 -2.1480 3.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 -1.6640 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 -2.0590 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 -3.2160 0.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 -3.2540 0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0430 -4.3330 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4220 -4.2270 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9650 -3.0650 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1480 -1.9830 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7640 -2.0970 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5170 -0.9480 1.5850 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 1.7220 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 1.6110 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 1.7850 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -0.5920 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -0.6340 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -0.9360 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -1.1790 4.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -1.3180 4.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 0.3810 4.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -2.0790 4.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 -2.3320 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 -0.6350 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6150 -5.2380 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0720 -5.0590 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0400 -2.9950 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5740 -1.0770 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 -0.7430 3.4600 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 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 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 42 -1 M END