IBS-ZINC04729691 MOE2007 3D CORINA 3.40 0006 02.08.2006 75 77 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 0.0190 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.0180 2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -2.0180 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -2.7100 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -4.0920 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -4.7840 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -4.0870 2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -2.7050 2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -4.8350 3.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -3.8370 4.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -5.7320 4.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 -5.6970 2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 -6.4570 3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -6.1430 1.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -6.7940 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -8.3100 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -9.0080 -0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -11.1690 -1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -12.6760 -1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -13.1070 -1.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -12.4020 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -10.8940 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -14.4850 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -15.0880 -1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -16.4590 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -17.1850 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -16.5210 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 1.1090 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -0.3420 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -0.3330 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -0.3950 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -0.3790 3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 1.0720 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -2.1710 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -4.6320 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -2.1620 3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -3.2230 4.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 -4.3780 5.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -3.1980 3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -6.4430 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -6.2730 4.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -5.1180 4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -6.4080 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 -5.0590 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 -5.7460 4.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -7.0960 4.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 -7.0720 3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -6.5150 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -6.4900 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -8.5900 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -8.6140 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -8.7280 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -8.7040 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -10.9460 -2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -10.8420 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -12.9020 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -13.2030 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -12.6250 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -12.7290 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -10.3680 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -10.6680 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -14.4930 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -16.9550 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -18.2570 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -17.0820 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -10.4640 -0.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -15.2100 -1.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 20 74 1 0 0 0 0 21 22 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 21 74 1 0 0 0 0 22 23 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 25 74 1 0 0 0 0 26 27 1 0 0 0 0 26 75 2 0 0 0 0 27 28 2 0 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 28 71 1 0 0 0 0 29 30 2 0 0 0 0 29 72 1 0 0 0 0 30 73 1 0 0 0 0 30 75 1 0 0 0 0 M END