IBS-ZINC04073957 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 0.9210 -0.2960 1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.0420 0.1310 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1490 1.0480 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -0.6110 0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 0.0170 1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -0.3920 1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -1.2950 1.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -0.5640 -1.2060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6020 -0.1800 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -2.1040 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -2.5570 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -1.3040 -2.9100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9220 -1.2100 -2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.1260 -2.5730 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0330 0.0680 -3.6750 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5090 1.0450 -3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 0.0430 -5.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -1.2180 -5.4140 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3070 -2.0870 -5.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -1.3490 -4.3780 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1580 -0.4790 -4.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 -2.5930 -4.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -2.6770 -6.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 -2.6090 -7.0560 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0250 -3.4420 -6.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.2870 -6.9030 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3190 -1.3590 -7.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -1.6340 -9.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -2.8580 -9.4950 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4050 -2.8820 -10.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -2.8690 -8.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -4.0490 -9.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -4.0350 -8.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -0.0370 -7.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -0.8660 -3.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -1.7520 -3.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 1.1980 -2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -1.3580 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 0.0470 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 0.2540 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -0.4440 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -1.6960 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -0.2590 2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 1.1100 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -2.4250 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -2.5970 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -3.0610 -3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -3.2910 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 0.9440 -5.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 0.0920 -5.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -3.5040 -4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 -2.5900 -3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -3.6240 -6.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -1.8790 -6.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -0.4200 -7.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -2.1420 -7.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -0.7540 -9.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -1.7710 -9.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -3.8470 -8.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 -2.1250 -8.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 0.8680 -7.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 -0.1100 -8.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 0.1370 -6.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 2.0160 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 1.4900 -3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 1.1380 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 0.2360 2.9200 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 2 0 0 0 0 6 67 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 26 27 1 0 0 0 0 26 34 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 M CHG 1 67 -1 M END