IBS-ZINC05482761 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3740 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 1.2370 -0.5510 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 0.7280 -0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 1.9570 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -1.9940 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -2.5260 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 -3.8380 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -4.4810 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -3.2800 -0.0100 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -4.5740 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 -4.0940 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 -4.8080 -1.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1210 -4.5480 -2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8760 -3.7180 -3.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 -5.2610 -2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3040 -5.0000 -3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5880 -5.7170 -3.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8710 -6.6710 -2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0740 -7.3420 -2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0090 -7.0750 -3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7330 -6.1240 -4.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5270 -5.4520 -4.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8020 -6.0520 -5.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5600 -7.2530 -4.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2490 -7.5930 -3.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 1.9410 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -0.5990 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 3.0230 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -5.5530 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 -4.3770 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 -5.6440 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 -4.2910 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 -3.0230 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4110 -5.4690 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6150 -5.9970 -1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0870 -4.2640 -3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1480 -6.8810 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2910 -8.0780 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3110 -4.7200 -4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2400 -8.0460 -5.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6270 -7.0600 -4.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 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 12 34 1 0 0 0 0 13 14 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 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END