IFLAB-ZINC04163421 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 2.2660 1.0200 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -0.3480 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -0.9480 2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -2.3100 2.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 -3.4100 3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -4.6320 3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 -4.7720 2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -3.7020 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -2.4880 1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 -1.2930 1.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 -1.1360 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -0.3350 3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -0.9560 4.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 1.1440 3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 1.4930 2.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 2.0080 4.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 1.5340 5.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 3.4520 4.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 4.2960 4.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 5.7670 4.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 5.4190 4.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 3.9450 5.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 7.6910 4.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 1.7600 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 1.1010 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 1.2750 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -3.3190 4.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -5.4780 4.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 -5.7280 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 -3.8150 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 1.7460 4.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 2.0570 6.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 0.4630 5.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 3.6120 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 4.1750 5.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 3.9610 3.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 6.3790 4.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 5.9550 3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 5.6060 3.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 5.7910 5.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 3.3670 5.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 3.7830 6.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 7.8950 3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 8.2200 5.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 7.9710 5.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 6.2150 5.0290 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9430 6.0720 5.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 46 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END