IFLAB-ZINC04078716 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2080 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0200 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 1.4000 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 3.5700 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 4.3010 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 6.0060 0.0160 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 5.5600 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 4.2680 0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 6.4530 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 7.7800 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 8.1950 0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 8.7500 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 10.1210 0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 10.8050 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 10.3880 -2.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 12.1810 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 12.1730 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 10.7960 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 10.3710 2.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -0.8380 -0.0390 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -2.4180 -0.0230 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9040 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 3.3260 1.9470 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 3.9100 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 6.1220 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 8.5940 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 8.5860 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 12.3240 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 12.9530 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 12.3130 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 12.9420 1.2320 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 M END