IBS-ZINC04995109 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 62 0 0 1 0 0 0 0 0999 V2000 -0.2230 -1.9460 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -2.0100 1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.6080 3.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -0.8340 4.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -0.2170 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 1.2960 2.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 1.7780 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 3.2260 1.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 3.8880 2.4800 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7330 3.6230 3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 5.3750 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 5.5210 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 4.1620 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 3.9330 -0.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 6.5750 0.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 6.3860 3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 6.0930 4.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 7.7860 2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 8.7710 3.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 10.0790 3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 10.4220 1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 9.4520 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 8.1360 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 9.7970 -0.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 11.1740 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 3.4830 2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 3.2300 3.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 2.8610 3.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2340 2.7480 2.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 2.9810 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2520 3.3490 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -1.5450 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -2.9480 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 -1.3000 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -2.4010 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -2.6640 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 0.3700 4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -1.3830 4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -0.7940 5.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -0.0580 4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -1.8110 4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -0.4580 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 -0.7230 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 1.7960 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 1.5280 3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 1.2780 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 1.5460 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 6.8660 4.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 8.5060 4.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 10.8380 3.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 11.4490 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 7.3820 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6140 11.7810 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 11.3120 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 11.4790 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8460 3.3220 4.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2120 2.6620 4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0970 2.8780 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 3.5330 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -0.6620 2.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 60 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 60 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 60 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 49 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 51 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 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 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 M END