IBS-ZINC05421833 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.1700 0.8470 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -0.5020 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -1.5150 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -0.9920 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -2.0490 1.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -0.2580 2.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -0.7540 3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -1.5360 3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -2.0250 4.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -1.7340 5.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 -0.9520 5.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -0.4560 4.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 0.3170 4.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 0.5820 6.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.2310 7.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 -2.3480 7.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 -2.7640 8.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 -3.1330 9.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 -3.4330 10.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 -3.2800 9.6410 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0160 -2.8660 8.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7010 -2.5670 7.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 -2.1840 6.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7650 -2.0780 6.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7130 -3.5230 10.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 0.7320 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 1.2020 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 1.5690 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -0.3860 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -1.6300 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -2.4760 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -1.1600 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 0.6140 2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -1.7640 2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 -2.6340 4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.7260 6.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 1.0990 6.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 1.2070 6.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -0.3590 6.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -2.4930 7.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 -3.1620 9.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6680 -1.9500 5.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9850 -4.5620 9.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4090 -2.8660 9.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7570 -3.3210 11.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 24 2 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M END