IBS-ZINC04351465 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 1 0 0 0 0 0999 V2000 0.0440 1.4440 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 0.0690 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -0.7130 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -0.1180 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 1.2570 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 2.0420 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 1.9170 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 1.2320 -0.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8860 2.1060 -0.5470 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0290 1.5580 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2350 0.2740 0.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5180 -0.1530 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7980 -1.2920 0.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5320 0.9440 -0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0680 1.1420 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5280 2.4200 -0.4240 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4480 0.5440 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6140 1.5090 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1330 1.9300 -0.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 -0.9330 -0.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 2.0510 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -0.3920 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -1.7820 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 3.1140 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 3.0210 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4470 -0.3410 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8860 -0.4430 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8890 0.4450 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -0.3590 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9330 1.7480 -2.5120 O 0 5 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 20 29 1 0 0 0 0 M CHG 1 30 -1 M END