IFLAB-ZINC04314937 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.1280 1.5040 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -0.0010 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -0.6900 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -2.0670 1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.7660 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -2.0650 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -0.6880 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 0.0570 -2.0990 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3450 -0.3920 -3.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 1.1180 -1.8560 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1350 -4.2420 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -4.8800 -0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -4.8810 1.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -6.3480 1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -6.8480 2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -6.1600 3.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -4.6480 3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -4.1240 2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 -6.6750 4.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 -6.1930 4.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 -5.4700 3.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3490 -6.9220 5.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 -6.8990 5.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0950 -7.7890 6.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 -8.7060 7.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -8.7430 6.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 -7.8510 5.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -7.6410 5.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 1.9230 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 1.8420 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 1.8350 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -0.1480 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -2.6040 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -2.6000 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -6.6620 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -6.7580 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -7.9270 2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -6.6120 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -6.3760 4.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -4.1610 4.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -4.4330 2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -3.0670 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -4.2520 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 -6.1880 5.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1230 -7.7730 7.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 -9.3970 7.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -9.4610 7.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 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 18 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END