IFLAB-ZINC04134577 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0300 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4120 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5660 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0870 4.1600 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 4.1890 0.0030 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9360 -0.8290 -0.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 -1.8080 -1.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 0.1650 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 -1.6590 1.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 -2.3870 1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1960 -2.4720 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 -3.2220 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3810 -3.9580 2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3650 -4.6370 2.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 -3.8750 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2130 -3.1220 2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4230 -4.7460 4.6570 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -2.4150 -0.0220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9650 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1220 -1.9320 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0780 -3.2850 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 -3.0580 3.6400 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 10 1 0 0 0 0 5 6 1 0 0 0 0 5 25 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 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 28 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END