IBS-ZINC00546288 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 0.1620 1.0560 -1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.2830 -0.5090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2520 -1.0800 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -0.3570 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -1.6500 1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -1.8390 1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -1.7860 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -0.4930 -0.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7630 0.3500 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -0.5350 -1.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -0.0650 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 0.4170 -0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 -0.2080 -2.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6910 0.2120 -2.6160 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.3030 0.0790 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7490 1.6560 -3.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 2.7620 -2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 4.1210 -2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4710 2.8180 -0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2800 -0.6570 -3.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4020 -1.2410 -4.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 1.1980 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 1.1030 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 1.8960 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -0.2830 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 0.4980 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -2.5010 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -1.6370 2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -2.8000 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -1.0580 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -2.6560 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -1.8770 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 -0.9400 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8720 -0.6690 -3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0430 1.7500 -3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7430 1.8560 -3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 2.5830 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3360 4.3720 -3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 4.9170 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6110 4.1200 -3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4800 2.9710 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4770 1.8980 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2520 3.6420 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5400 -0.6820 -3.8540 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 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 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 M CHG 1 44 -1 M END