IBS-ZINC04027453 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 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 2.7370 -0.3720 5.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5380 -1.4160 5.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 -0.1880 4.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 -1.1630 3.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1660 -0.9790 3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 -1.9120 2.4290 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8990 -1.9300 2.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8120 -1.0720 2.5770 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 0.5000 6.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 1.3510 6.1260 O 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 0.7510 1.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -0.9390 1.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 -0.3180 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8910 -1.1710 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7790 -0.9620 2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9130 -1.7450 2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1600 -2.7370 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2730 -2.9450 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1410 -2.1590 0.2990 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 4.4170 0.8350 4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 -0.3840 5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4870 -2.1850 4.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 -0.9660 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 0.0440 3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 -1.1750 4.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 -2.5180 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5320 -0.4540 3.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7360 -1.0840 2.2820 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 -4.8550 0.6710 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 -0.2220 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 -0.1870 2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6060 -1.5820 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0450 -3.3490 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4660 -3.7200 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 -2.3200 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -2.7610 1.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6310 -3.3660 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.3310 7.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 0.9140 8.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 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 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 58 2 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 2 0 0 0 0 18 60 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 58 59 1 0 0 0 0 60 61 1 0 0 0 0 M END