IFLAB-ZINC04497626 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 2.0090 1.4580 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 0.0910 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -0.7140 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -0.1550 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 1.2100 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 2.0300 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 3.4880 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 4.1830 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 3.4790 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 2.2820 -0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 4.1560 0.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 3.4510 0.2650 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9450 2.4380 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 3.4370 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1160 3.5940 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9590 3.3570 -1.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3710 4.0370 0.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1310 4.2340 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6550 4.2780 0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8110 4.8640 2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0770 5.1030 2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1960 4.7600 1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0430 4.1710 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7720 3.9260 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1280 3.8200 -0.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3770 4.4170 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5300 4.3170 1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4360 5.0110 2.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -2.1800 0.8480 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9180 -2.6750 1.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -2.8920 0.1650 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6410 2.0860 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 -0.3520 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -0.7900 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 1.6440 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 4.0020 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 5.2590 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7380 5.1090 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4040 2.4890 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 4.2700 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8760 5.2930 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2390 3.8350 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9420 5.1330 2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1960 5.5590 3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6510 3.4660 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1950 3.8860 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3870 5.4640 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5150 3.2700 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4710 4.7740 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END