IBS-ZINC04086974 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 50 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 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 3.7110 -0.7070 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5240 -1.7810 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 -0.3240 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 -0.6420 -1.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 0.0030 0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9470 1.0270 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 -0.8220 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9440 -0.8080 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9730 -1.7280 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9810 -2.6170 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9610 -2.6480 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9180 -1.7350 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6890 -1.5300 -1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 -2.0830 -2.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 -0.0170 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -0.3420 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 -0.2510 2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 -0.4470 3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -0.2750 4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 0.0750 5.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 0.2750 4.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1270 0.1080 3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1830 0.2470 2.5230 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0830 0.4720 2.8080 H 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 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -0.8950 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 0.7430 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9440 -0.1150 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7890 -1.7450 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8060 -3.3080 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9720 -3.3460 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -0.7200 2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 -0.4170 4.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 0.1970 6.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 0.5480 5.3560 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 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 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 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 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 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 M END