IFLAB-ZINC05258634 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 1 0 0 0 0 0999 V2000 0.0050 1.4340 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 0.0050 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -0.5770 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -2.1020 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -2.7250 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -4.8230 3.2300 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8320 -4.2120 3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -6.2140 2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 -6.0810 1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -4.9820 1.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 -7.1830 1.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 -7.0680 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9400 -5.9800 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 -5.8680 -1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7950 -6.8380 -1.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8820 -7.9250 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 -8.0490 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 -9.1730 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1550 -10.0640 1.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -4.9480 4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -4.5500 4.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 1.8090 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 1.7970 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 1.7840 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -0.2430 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.2680 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -2.4360 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -2.4110 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -2.3910 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -2.4160 3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -6.7180 3.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -6.7950 2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 -8.0560 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -5.2210 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 -5.0200 -2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4850 -6.7410 -2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6380 -8.6780 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -4.1890 2.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -4.5190 1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -5.5020 5.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -5.5600 6.2410 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 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 38 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 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 33 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 3 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 38 39 1 0 0 0 0 40 41 1 0 0 0 0 M END