IBS-ZINC02272871 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 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 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -2.6110 -2.7540 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -4.3520 -2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -4.7930 -1.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -6.1250 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -7.0320 -2.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -8.3680 -1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -8.5420 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -7.0040 0.0780 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -9.8940 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -10.1050 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -11.3910 1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -12.4540 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -12.2430 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -10.9640 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -10.7160 -1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -9.5700 -2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -6.5230 -3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -7.2590 -4.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -5.1740 -3.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -4.5810 -4.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 -4.3670 -4.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9950 -5.2700 -4.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 -3.1150 -3.6270 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 0.5290 -0.3650 0.8850 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 0.1910 -0.1360 -2.1400 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 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -9.2710 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 -11.5660 2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -13.4590 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -13.0810 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -10.4750 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -11.6230 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -9.8870 -3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -9.2950 -3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -5.2510 -5.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -3.6240 -4.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 -6.1670 -5.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 -5.1170 -4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -3.2840 -2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 -2.8590 -3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 -2.2960 -3.8690 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 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 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 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M END