IBS-ZINC05094116 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.4770 1.6730 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 0.1850 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -0.5270 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 0.1160 2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 1.3260 2.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -0.7490 3.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -2.1140 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -2.7310 4.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 -2.7070 2.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -2.0190 1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -2.5980 0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 -4.1610 2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -4.5590 2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 -4.6950 1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 -5.0280 2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -5.2220 3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 -5.0850 4.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -4.7540 4.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -0.4390 -0.9750 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 0.0380 -2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 1.2200 -2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 1.6440 -3.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 0.8890 -4.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -0.3020 -4.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -0.7070 -3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -1.1350 -5.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -2.1950 -5.6710 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4140 1.9480 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 1.9890 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 2.2540 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -0.3230 4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -4.5660 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -4.6240 3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 -4.5370 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -5.1310 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7030 -5.4760 3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -5.2320 5.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -4.6440 4.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -1.4670 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 1.8100 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 2.5600 -3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 1.2250 -5.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -1.6270 -3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -0.7140 -6.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 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 42 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 2 0 0 0 0 M CHG 1 27 -1 M END