IBS-ZINC04039293 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 59 0 0 0 0 0 0 0 0999 V2000 0.7420 2.0720 2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 0.7490 1.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -0.3200 2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -1.5660 1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -1.7040 0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -2.7860 0.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -0.6270 -0.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -0.7190 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 0.5730 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 1.5230 -0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -2.4320 3.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -1.7000 4.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -0.4530 3.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -2.1860 5.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -1.0840 6.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -1.4860 7.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -2.6030 8.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -3.9100 7.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -4.2280 6.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -2.9880 5.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -3.8600 3.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -4.0410 3.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 -3.7450 4.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -3.9070 4.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 -4.3650 4.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -4.6810 2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 -4.5110 2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -4.8210 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -5.2740 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 -5.4350 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 -5.1560 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 2.1760 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 2.8410 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 2.1830 3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -0.7220 6.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -0.2700 6.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -0.6220 8.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -1.8470 7.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -2.3790 8.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -2.6700 9.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -4.7120 8.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -3.8740 7.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 -4.6120 6.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 -4.9950 5.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -3.3130 4.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -2.3800 5.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -4.2730 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -4.3780 3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -3.3810 5.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -3.6650 6.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 -4.4860 4.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -4.7010 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -5.5110 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 -5.7960 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0540 -5.2870 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 M END