IBS-ZINC05348697 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 0.1190 1.2070 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.3100 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -0.6800 0.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -0.9840 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4390 -1.2810 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 -1.1450 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -0.7720 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -0.5710 2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -0.7430 3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2370 -1.1160 3.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 -1.3110 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 -1.2820 4.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 -1.0560 5.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -1.6610 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 -2.8330 -1.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3360 -0.7110 -2.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 -1.0610 -2.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5150 -0.3660 -3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4800 -0.7120 -3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2530 -1.7530 -4.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0510 -2.4490 -4.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0800 -2.0990 -3.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8070 -3.4700 -5.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9430 -4.0350 -6.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8140 -2.8850 -6.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2200 -2.0850 -5.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -0.9930 -2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 1.4810 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 1.5220 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 1.6970 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -0.8010 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -0.6260 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -0.2820 2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -0.5860 4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -1.6020 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7390 -1.2220 6.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -1.7440 5.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -0.0300 5.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 0.2140 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6940 0.4460 -2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4140 -0.1700 -3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 -2.6370 -3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 -4.6540 -7.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5160 -4.6390 -5.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2380 -2.2770 -7.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6920 -3.2890 -7.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -1.9840 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -0.7410 -3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -0.2590 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 14 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 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 M END