OTAVA-ZINC06142320 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.4130 1.4650 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -0.0210 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -0.8080 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -2.1370 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -3.1130 1.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -2.1230 -0.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -0.8040 -1.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -0.3430 -2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -3.2280 -1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -4.4030 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -5.4930 -2.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -5.4150 -3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -4.2470 -3.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -3.1520 -2.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -0.3850 2.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -0.4630 2.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -0.8900 2.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 0.0250 4.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 0.5360 4.7390 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 0.1110 3.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 0.2450 2.8350 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 0.7290 3.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 0.8620 3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 1.4140 4.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1450 1.5580 3.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0440 2.0760 4.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6220 2.4540 6.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2960 2.3170 6.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 1.7930 5.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 1.6520 5.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 1.9940 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 1.7570 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 1.7190 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 0.0000 -2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -1.1640 -2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 0.4790 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -4.4640 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -6.4070 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -6.2680 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -4.1900 -4.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -2.2380 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -0.7800 4.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 0.8740 4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 0.5670 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4790 1.2640 2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0830 2.1880 4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3330 2.8590 6.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 2.6150 7.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 2.4260 5.7560 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 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 30 49 1 0 0 0 0 M END