IBS-ZINC04088496 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 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 0 0 0 0 0 0 0 0 0 0 0.6980 -0.6300 3.7370 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8690 -1.7030 3.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -0.3540 4.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -0.9700 6.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -1.2830 8.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -0.9910 9.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 -1.8770 10.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -1.6120 11.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 -0.4540 12.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 0.4340 11.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 0.1610 10.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -0.1900 13.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 1.0200 13.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 0.0800 3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 -0.5050 3.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 0.5280 3.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 1.6840 4.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 1.4070 3.9820 O 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 -0.1340 0.9610 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -0.5720 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 0.7230 5.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -0.7940 4.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -2.0470 6.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.5300 6.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -0.8450 8.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -2.3620 8.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -2.7780 9.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -2.3040 11.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 1.3360 12.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 0.8500 10.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 1.0050 14.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 1.8710 13.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 1.1090 14.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 -1.5620 3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2610 0.4120 4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 2.6670 4.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -0.7040 7.4030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 0.2850 7.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 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 23 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 51 52 1 0 0 0 0 M END