IFLAB-ZINC04991059 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -0.1240 2.4970 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2110 0.9530 2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -0.5140 3.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -1.2970 4.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 0.0080 3.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -0.3520 5.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 0.0890 5.3510 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -0.3590 6.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 -1.2200 7.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -1.4360 6.2650 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -0.8210 2.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -0.2980 1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 0.7490 1.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -1.0150 1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 -0.2160 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0690 -0.9430 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0850 -0.1440 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 -0.0070 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2410 0.7210 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2240 -0.0780 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 2.1120 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9090 1.9740 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2550 1.2460 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 1.1750 1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -1.5960 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.0630 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 0.6340 3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 -0.0540 6.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 -1.6980 8.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -1.6580 2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -2.0060 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0630 -1.1130 2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 -1.9340 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4250 -1.0410 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0440 -0.6620 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4660 -0.9970 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3100 0.5630 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 0.8190 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 0.4400 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 -1.0690 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 2.6300 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1340 2.6810 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 2.9650 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9790 1.8160 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 1.1490 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2490 1.0770 2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9340 1.6940 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 M END