SIAL-ZINC04533558 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.3090 1.2710 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -0.1770 0.2560 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5770 -1.0370 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -2.2860 0.7680 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -2.2430 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -0.9070 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -0.4970 -2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 0.6340 -2.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -1.6210 -2.9970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -1.4270 -3.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -2.9410 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -3.3010 -1.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -3.8750 -3.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -3.4790 1.5580 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5400 -4.0160 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -4.3800 1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -3.8090 3.0640 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6700 -4.5260 3.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -3.3890 3.8360 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6070 -4.2560 4.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -3.0410 2.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -2.2270 4.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -1.8800 5.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -2.4700 6.9350 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -1.7820 7.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -1.9030 7.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 -1.6600 8.3940 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 -0.3920 9.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 -1.4390 7.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6560 -0.5580 7.7360 P 0 0 0 0 0 0 0 0 0 0 0 0 7.1520 -0.7490 9.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -2.7090 2.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -3.0760 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 1.6730 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 1.6720 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 1.5560 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -0.7580 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -3.6630 -4.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -4.8530 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -4.4040 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -5.4010 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -1.3320 4.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -2.4750 5.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -3.9770 6.7850 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0220 -2.9590 9.1730 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5820 -1.1740 6.6840 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2490 0.8690 7.3790 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 32 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 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 32 33 1 0 0 0 0 M CHG 1 2 1 M CHG 1 44 -1 M CHG 1 45 -1 M CHG 1 46 -1 M CHG 1 47 -1 M END