IBS-ZINC05478535 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 1.4870 1.7930 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 0.3130 1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -0.4780 1.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.8250 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -2.6510 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -4.0200 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -4.5690 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -3.7410 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -2.3730 1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -5.9570 1.7540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -6.7810 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -6.3240 -0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -8.2710 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -9.0980 -0.2180 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -10.7770 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -11.8240 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -11.8920 -1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -13.1430 -1.9150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -13.9520 -0.9220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 -13.1460 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -13.3540 1.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -12.3450 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -11.0890 1.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -15.4140 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -16.0090 -1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -16.2710 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -16.8170 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -17.1010 -2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -16.8390 -3.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -16.2980 -2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 2.0780 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 2.3960 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 1.9580 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 0.0270 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 0.1470 2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -2.2240 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -4.6630 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 -4.1680 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -1.7300 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -6.3250 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -8.6190 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -8.5020 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -11.0490 -2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -12.5510 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -15.7350 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -15.7500 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -16.0500 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 -17.0220 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -17.5260 -3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -17.0610 -4.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -16.0970 -3.4700 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 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 23 2 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 44 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 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 M END