IFLAB-ZINC05184080 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 0 0 0 0 0 0999 V2000 -0.0070 1.4280 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.0010 -0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -0.5720 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -2.0980 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -2.5570 -1.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -3.8730 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -4.6790 -0.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -4.3410 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -3.5360 -1.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -5.6580 -1.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -6.0900 -1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0520 -5.4030 -1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 -5.8320 -1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7130 -6.9470 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7470 -7.6350 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4300 -7.2140 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -7.8880 0.3970 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.9980 -7.3640 -0.9480 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 1.8050 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 1.7860 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 1.7830 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -0.2550 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -0.2360 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -2.5320 -1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 -2.4100 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -1.9130 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -6.3060 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -4.5330 -2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1200 -5.2970 -2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0210 -8.5040 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 M END