IBS-ZINC00495380 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 1 0 0 0 0 0999 V2000 -0.1850 1.3900 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -0.1240 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.5460 0.2860 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -0.4530 -1.8050 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 -0.9240 -2.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 1.2680 -2.3760 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2240 1.5680 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 2.1750 -1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 1.6390 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 2.4710 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6970 3.8380 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 4.3730 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 3.5410 -1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 4.1140 -2.4110 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6740 5.3180 -2.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 3.3810 -3.0940 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6760 1.3640 -3.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -1.6870 -2.8040 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -3.3310 -2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -3.8820 -2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 1.6550 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 1.6980 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 1.8950 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.6250 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.4490 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2730 0.5710 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6730 2.0520 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 4.4880 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 5.4410 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 1.1120 -3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -4.0010 -2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 -3.2560 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -3.2120 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -3.9570 -3.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -4.8700 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 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 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END