IBS-ZINC05422136 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 47 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2090 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0200 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 1.4000 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 3.5710 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 4.3990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 5.6730 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 5.6720 0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 4.3890 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 6.9130 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 8.0250 -0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 8.1090 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 6.9500 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 7.0130 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 8.2450 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 9.4000 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 9.3320 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 10.6090 0.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 11.0480 1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 10.4580 1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 8.9450 1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 8.3290 0.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -2.4180 -0.0220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -0.5140 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 1.9460 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 4.0680 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 4.0680 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 7.2080 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 6.7490 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 8.9770 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 7.8400 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 6.1120 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 10.2360 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 10.7350 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 12.1360 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 10.8930 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 10.7160 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 8.6780 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 8.5860 2.2920 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 M END