IBS-ZINC04561995 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 0 0 0 0 0 0999 V2000 0.0380 1.3290 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.0580 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -0.7280 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -0.0130 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 1.3900 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 2.0550 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 1.8360 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 0.6900 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 -0.3960 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 -1.7850 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 -2.2770 -1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -1.5410 -2.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 -3.5360 -1.8300 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 -4.0390 -3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6550 -4.6630 -3.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0560 -5.6140 -2.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 -5.0510 -1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 -4.4450 -0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 3.1730 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 3.4530 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2860 2.4190 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 1.5980 -1.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 4.8160 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2980 5.2100 -0.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9470 4.6500 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 6.5550 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4340 7.4910 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2610 8.7910 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0950 9.1690 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 8.2610 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 6.9370 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 5.8380 0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 1.8420 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -0.6170 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -1.8080 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 3.1340 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 0.6640 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -1.8390 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 -2.4070 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 -4.7930 -3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -3.2150 -3.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 -5.1630 -4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4110 -3.8820 -3.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6330 -5.8310 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 -4.2720 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -3.8900 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 -5.2410 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 3.9730 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3440 7.2020 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0380 9.5210 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9730 10.1900 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1980 8.5650 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 3 0 0 0 0 23 24 1 0 0 0 0 23 32 2 0 0 0 0 24 25 1 0 0 0 0 24 26 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 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 M END