IFLAB-ZINC04166810 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8250 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -2.6720 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -4.0440 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -4.5800 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -3.7400 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -2.3540 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -1.5270 3.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -4.3140 3.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -3.4930 4.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 -3.9650 5.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 -5.3470 5.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -6.1830 4.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -5.6340 3.8420 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 -7.4840 5.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -7.4530 6.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 -8.4310 7.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 -6.1740 6.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -5.8840 7.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 -8.6400 4.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -8.5350 3.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -9.6760 2.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -10.9220 3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -11.0310 4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1630 -9.8930 5.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -12.3910 4.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -3.0420 6.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -3.4870 7.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -1.7100 6.5390 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -2.2590 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -4.6980 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -5.6520 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -1.2990 4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -7.5620 2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -9.5950 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -11.8130 2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 -9.9780 6.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 -12.7050 4.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 -12.3430 6.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -13.1090 4.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -1.3550 5.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 -1.1050 7.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 40 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 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 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 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 M END