IBS-ZINC05219633 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 -0.0030 2.3840 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 0.8810 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 0.0730 1.2900 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1320 0.4470 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -1.4080 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 0.2300 1.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 0.1440 2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -0.1020 3.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -0.1560 4.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 0.0360 4.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 0.2520 2.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 0.3200 1.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 0.4050 2.6030 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6050 1.3650 1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7950 2.2520 1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 0.4600 3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 -0.4140 3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1780 2.2450 2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4140 0.1600 5.4040 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4670 -0.7950 6.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 1.2120 5.5170 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6320 -0.3860 5.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 2.6670 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 2.9180 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 2.7240 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 0.6660 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 0.5780 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -1.8180 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -1.9970 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -1.5560 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 0.3980 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8330 0.8150 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7580 2.0280 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1100 2.8720 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5480 2.8910 2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4120 1.0850 4.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5040 -0.1620 3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1470 -1.0570 3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7190 -1.0940 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9310 2.8760 3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4220 2.8530 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0130 1.5780 2.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -0.4290 5.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 -0.5540 6.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9870 1.3990 2.3320 N 0 3 0 0 0 0 0 0 0 0 0 0 9.2510 0.8210 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 45 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 45 1 M END