IBS-ZINC05207185 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0300 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4120 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 4.1870 1.7190 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 5.9260 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 6.7730 2.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 6.4160 3.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 8.1090 2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 8.8790 3.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 8.5920 0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 7.6910 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 6.3790 0.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 8.1510 -1.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 9.4210 -1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 9.8080 -2.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 10.3670 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 10.0720 0.7260 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5250 10.6020 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 10.5310 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 11.4880 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 11.9100 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 11.3740 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 10.4140 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 9.9990 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 11.7870 0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -2.4150 -0.0220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -0.4970 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9650 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 3.9710 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 3.9460 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 7.5530 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 10.2410 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 11.3930 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 11.9050 2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 12.6570 1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 9.9950 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 9.2550 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 12.5440 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 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 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 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 42 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 M END