IBS-ZINC05013972 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2050 -0.6870 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0110 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4100 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 2.1630 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 3.1950 -0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 3.6210 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6820 2.8280 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 1.9590 0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9300 2.9160 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2240 2.0690 2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4160 2.0120 2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 2.7650 2.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4570 1.0940 3.9100 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3950 0.2950 4.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2280 -0.9520 5.2500 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1960 0.7960 2.8810 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6440 0.9530 4.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5020 1.8500 5.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7420 1.7030 6.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6020 2.5870 8.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6130 3.2650 8.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -0.6560 -0.0340 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -1.7660 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 3.5980 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8170 4.4160 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6540 3.6540 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7430 -0.0850 5.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5290 1.2470 4.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4030 2.8890 5.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6170 1.5560 6.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8410 0.6650 7.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6270 1.9970 6.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5780 2.6200 9.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4430 3.2020 9.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 39 40 1 0 0 0 0 M END