IFLAB-ZINC04304787 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 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 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -0.7580 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -2.1970 -1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -0.7510 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 -1.1700 1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -0.4970 2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -0.8320 3.6040 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -2.0630 4.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -3.2950 4.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -4.3560 4.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -4.2020 5.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 -2.9970 6.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -1.9060 5.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 -0.6160 5.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 0.0120 4.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2490 1.7100 3.8210 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 2.3060 5.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 2.0970 3.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 1.6980 2.5830 C 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 0.5120 -0.3560 -0.8950 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 -3.1420 -0.6060 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -0.0680 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -2.8870 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -2.3810 -2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -2.3490 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -1.1150 2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 0.5550 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -3.4210 3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -5.3150 4.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -5.0420 6.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 -2.8880 6.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 1.2580 3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 2.7200 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 1.1080 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END