IBS-ZINC02258091 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -1.3140 2.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -1.7660 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -1.3900 3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -1.7470 4.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -1.1960 4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -1.4630 5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -2.2280 6.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 -2.7350 6.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -2.5140 5.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5020 -0.9340 5.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -1.2180 6.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8140 -0.5190 5.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6260 0.8970 5.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -0.2410 2.9100 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -0.5740 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -0.1680 1.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -2.6260 4.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -3.0070 3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -1.8400 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -3.3550 7.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7350 -0.3750 4.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1410 -0.8510 7.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6650 -2.2940 6.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5820 -0.8020 6.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1270 -0.8190 4.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4200 1.4050 5.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -3.5210 4.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -2.0620 4.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -3.9530 2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -3.0490 3.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -1.0610 2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -2.2000 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 20 2 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 19 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 M END