IBS-ZINC05246783 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 1.0700 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 1.5820 2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 1.0720 2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2520 1.0930 3.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8900 1.6170 5.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5460 2.8340 5.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1330 3.3170 6.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0610 2.5760 7.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4010 1.3570 7.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8220 0.8780 6.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3080 0.4290 8.9280 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.6350 3.0470 8.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9960 2.6830 8.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4580 3.2910 10.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0350 4.5480 10.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4600 5.1070 11.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3080 4.4080 12.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7300 3.1500 12.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3100 2.5910 11.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7220 4.9540 13.6810 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.7790 4.5140 6.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8130 5.2210 5.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -0.0200 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 1.4300 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 1.2210 3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 2.6720 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 1.4330 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 -0.0180 2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2660 0.0030 3.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8080 1.4540 3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6020 3.4070 4.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3110 -0.0740 6.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6190 3.0500 8.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0770 1.5970 8.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1540 5.0930 9.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9100 6.0880 11.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6100 2.6040 13.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8630 1.6080 11.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3570 6.1560 5.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7950 5.4340 4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3140 4.6100 4.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 1.2920 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8630 1.5640 3.7970 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 1.2970 4.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 48 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 M END