CHEMBRIDGE-ZINC01118393 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 1 0 0 0 0 0999 V2000 -0.0250 1.5290 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -0.0010 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -0.5100 1.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7250 -0.0660 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -2.0330 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -0.1350 2.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.0080 3.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 -0.2040 3.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 0.3690 4.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 0.6960 4.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 1.0480 5.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 1.0780 7.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 0.7570 7.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 0.3950 6.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 0.0650 6.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -0.5780 7.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -0.9540 8.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -0.8290 7.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 -1.7070 9.0050 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8920 -1.9150 9.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 -2.6410 10.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3730 -4.0220 10.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7490 -4.6880 11.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0520 -3.9730 12.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9800 -2.5930 12.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6090 -1.9260 11.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4530 -4.6860 13.8160 N 0 3 0 0 0 0 0 0 0 0 0 0 7.5160 -5.9020 13.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7200 -4.0560 14.8230 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9990 1.9030 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 1.8920 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 1.8830 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -0.3740 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -0.3550 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -2.3960 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -2.4770 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -2.3120 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 0.0210 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 0.6740 3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 1.3010 5.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 1.3550 8.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 0.7840 8.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 0.2980 5.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 -1.4350 6.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 0.1220 7.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1990 -2.4940 8.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3710 -0.9370 8.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1360 -4.5800 9.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8050 -5.7660 11.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2170 -2.0340 13.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5570 -0.8480 11.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 9 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 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 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 43 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 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END