IBS-ZINC00543761 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.5290 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.0010 0.0060 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5180 -0.3500 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.5130 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -1.9750 1.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -2.5320 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -1.9220 -0.0540 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9260 -2.2790 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -0.4970 0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -2.3330 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -2.7790 1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -2.3080 1.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -4.1060 1.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -4.9660 1.9220 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3390 -4.4280 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -6.2260 2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -5.8410 4.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -7.0820 4.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 -5.2650 4.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -5.3560 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -4.9560 -0.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 1.9070 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 1.8930 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.8780 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -0.2580 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -0.0600 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -3.6150 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -2.2830 2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 -1.9740 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -1.8990 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -3.4200 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -4.4920 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -6.7180 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -6.9060 2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -5.0940 3.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -7.8300 4.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -6.8080 5.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -7.4930 4.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 -4.3810 4.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 -4.9910 5.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -6.0120 5.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 -6.1470 0.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 -6.3690 -0.2040 H 0 0 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 9 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 11 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 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 32 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 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 42 43 1 0 0 0 0 M END