IBS-ZINC04937825 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 2.8910 1.9540 -2.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 0.9330 -2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 0.1870 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -0.5820 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -1.4940 -2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -2.2030 -3.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -3.4890 -3.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -3.7020 -4.5510 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4210 -2.9710 -4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -5.0990 -4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -5.6920 -3.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -4.6080 -2.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -4.7220 -1.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -6.8360 -2.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -5.7190 -4.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -6.9810 -4.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -5.1110 -5.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -5.4570 -6.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 -4.8910 -7.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 -3.9820 -7.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 -3.6350 -6.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 -4.1990 -5.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -3.5250 -5.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -2.6430 -6.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -2.4840 -8.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -3.2020 -8.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 -4.0750 -7.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 -4.2370 -6.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -3.0100 -10.2990 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 2.4300 -2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 1.4900 -3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 2.7420 -3.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 1.3710 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 0.5030 -3.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -0.0090 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 1.2590 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 -1.6620 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 -0.3810 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 -0.2760 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -1.2580 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -2.1400 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -1.5950 -4.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 -2.3900 -3.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 -7.2380 -4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -6.1640 -7.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 -5.1620 -8.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6810 -3.5480 -8.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 -2.9320 -5.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 -3.9310 -4.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -2.0850 -6.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -1.8080 -8.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 -4.6390 -8.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -4.9310 -5.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -0.1940 -1.8490 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2540 -0.3540 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 54 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END