IBS-ZINC05454738 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 32 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3740 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 1.2090 -0.6840 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0150 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 1.3930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 3.5570 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 4.1550 0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 4.3210 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 6.0980 0.0130 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 6.7290 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 5.9970 -0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 8.8030 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 6.8000 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 8.1270 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1070 8.0540 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 9.1710 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7540 8.8610 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1480 7.5330 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2650 6.5560 -0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9430 10.1260 -0.0260 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -2.4200 -0.0220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -0.5210 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 1.9370 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 4.0580 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 4.0670 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 10.1980 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2010 7.2930 -0.0560 H 0 0 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 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 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 M END