IBS-ZINC05111339 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -1.0770 3.0040 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 1.6640 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 0.5730 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 -0.0560 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -1.2170 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 -1.6560 -0.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 -1.7800 -2.5540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -1.3060 -3.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -1.8580 -4.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -0.2560 -3.5610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 0.4090 -2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 1.3650 -2.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 0.1650 -4.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 0.7630 -5.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 1.1760 -6.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 0.9960 -7.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 0.4010 -6.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -0.0090 -4.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 1.5160 -8.4810 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 0.2100 1.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -0.2190 2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.4870 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -0.9110 3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -1.0710 4.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -0.8040 4.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -0.3710 3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 -0.9750 5.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -0.7420 5.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 3.7930 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 2.9530 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 3.2210 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 1.4470 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 1.7150 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 -2.5450 -2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 0.9030 -5.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 1.6410 -7.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 0.2610 -6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -0.4690 -4.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 0.2460 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -0.3640 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -1.1180 3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -1.4030 5.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 -0.1600 3.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -1.3880 6.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -1.4850 7.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 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 13 1 0 0 0 0 11 12 2 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 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 19 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 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 44 45 1 0 0 0 0 M END