IBS-ZINC05460260 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 32 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.2320 -0.6430 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.1250 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -0.7460 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -2.7460 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -1.9770 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -1.9690 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.4260 -0.0560 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6440 -2.6690 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6950 -3.7500 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 -4.9160 -0.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1210 -3.3890 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0980 -4.3900 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4320 -4.0450 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8060 -2.7100 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8440 -1.7140 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5060 -2.0440 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4890 -2.2850 -0.1290 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 1.4540 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 2.0800 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 1.9140 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -0.5710 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -2.0450 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 -2.0560 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8080 -5.4300 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1880 -4.8160 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1420 -0.6760 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7560 -1.2670 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 3.1590 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 20 2 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 20 21 1 0 0 0 0 21 30 1 0 0 0 0 M END