IBS-ZINC00518985 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 -0.0300 1.5230 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 -0.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0110 -0.3830 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -0.4230 1.1720 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8700 0.0080 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 0.0290 2.4950 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2600 1.1180 2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -0.5180 3.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -1.6480 3.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -2.0350 4.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -2.3710 2.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -1.9560 1.1720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0260 -2.3820 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -2.3860 -0.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -1.6860 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -2.0860 -2.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -0.5660 -1.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -3.5810 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 0.1880 4.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -0.4790 2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -1.7880 2.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -2.2590 3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 -1.4200 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 -0.1020 2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 0.3650 2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 0.7250 2.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 2.0640 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0320 -1.8820 2.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 1.8990 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 1.8180 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 1.9380 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 -3.1690 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -0.1160 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -4.2990 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 -4.0290 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 -3.3040 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -0.1840 5.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 0.0180 5.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 1.2560 4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -2.4430 3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -3.2820 3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 1.3880 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 2.5500 2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 2.0460 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 2.6160 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4320 -1.7660 3.7390 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 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 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 8 9 1 0 0 0 0 8 19 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 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END