IBS-ZINC04980731 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 0 0 1 0 0 0 0 0999 V2000 -0.2230 -1.9460 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -2.0090 1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.6080 3.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -0.8340 4.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -0.2170 1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 1.2960 2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 1.7790 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 3.2270 1.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 3.8880 2.4800 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 3.6230 3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 5.3760 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 4.1630 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 3.9340 -0.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 6.5760 0.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 6.3860 3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 6.0930 4.1710 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 3.9850 8.7710 3.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8930 10.0790 3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 10.4230 1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 9.4530 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 8.1370 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 9.7970 -0.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 11.1740 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 3.4830 2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 3.2350 3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6310 2.8640 3.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2630 2.7400 2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 2.9870 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 3.3550 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -1.5440 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -2.9480 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 -1.3000 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -2.4010 2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -2.6640 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 0.3700 4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -1.3830 4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -0.7940 5.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -0.0580 4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -1.8110 4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -0.4580 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 -0.7230 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 1.7960 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 1.5280 3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 1.2780 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 1.5460 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 6.8660 4.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 8.5060 4.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 10.8390 3.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 11.4490 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 7.3820 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3290 11.3120 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 11.4800 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6140 11.7820 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 3.3320 4.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1770 2.6710 4.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3030 2.4500 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0590 2.8910 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 3.5440 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -0.6610 2.4470 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 61 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 61 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 61 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 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 M END