IFLAB-ZINC05146979 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.8100 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -2.3240 -2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -3.6890 -2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -4.5520 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -4.0330 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -2.6670 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -6.0200 -1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -6.9640 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -8.2040 -1.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -9.5370 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -10.4420 -2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 -9.5240 -3.3870 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -7.9440 -2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 -6.6480 -2.8830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -9.9560 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -9.9640 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -9.6590 0.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -10.3090 2.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -10.3170 3.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -10.7360 4.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -11.9920 5.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -12.1340 6.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -10.9940 6.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -9.6430 5.9260 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -1.6550 -3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -4.0890 -3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -4.6990 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -2.2640 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -6.7860 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -11.5160 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -9.2540 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -10.9560 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -10.5530 2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -11.0180 3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -9.3170 3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -12.8340 4.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -13.0960 6.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -10.9130 7.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 M END