IBS-ZINC01775713 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.0630 1.6840 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 0.6280 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -0.2060 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -1.2700 1.4620 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -0.5150 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 0.4190 -0.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 -0.8880 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -0.2100 2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 0.5770 2.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -1.1930 3.6630 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3980 -1.4410 4.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -0.9990 5.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -1.0540 6.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -0.5330 5.9770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -0.5970 4.8360 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6270 -1.2380 5.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 0.7860 4.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 0.9740 4.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 2.2430 3.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 3.3250 3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 3.1360 4.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 1.8660 4.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 4.9190 3.4260 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.0230 7.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -1.1710 8.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -0.6380 9.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -1.7380 10.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 -2.1440 10.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 -3.1790 11.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -3.3990 11.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -2.5360 11.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -1.9060 3.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 2.6170 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 1.8380 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 1.3590 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 -1.6570 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -0.0070 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -1.2680 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 0.1290 3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 2.3890 3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 3.9810 4.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 1.7190 4.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 0.7400 7.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 0.4120 7.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -1.9340 8.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -1.6060 7.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 0.1250 9.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -0.2030 10.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -1.7170 9.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -3.7350 11.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -2.4710 11.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -2.1280 3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 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 15 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 32 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 24 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 31 51 1 0 0 0 0 M END