MDPI-ZINC03848523 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 1.9710 1.2840 5.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 0.4330 4.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -0.0180 3.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 0.3850 2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 1.2400 3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 1.6870 4.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 -0.0700 1.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9650 0.5220 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 1.8760 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 2.4810 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3260 1.7390 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3110 0.3490 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -0.2650 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 -1.6470 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2400 -2.3770 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4130 -1.7720 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4570 -0.4360 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 -2.4330 1.7360 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 -1.7970 2.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -2.5020 0.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4940 2.3610 -0.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 3.7060 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4990 4.5560 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4740 5.8860 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4280 6.3750 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 5.5320 -1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4220 4.1950 -1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 6.0150 -2.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 1.6390 5.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 0.1200 4.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -0.6830 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 1.5550 3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 2.3520 5.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -0.7960 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 2.4770 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 3.5440 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 -3.4400 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2980 -2.3730 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3730 0.0200 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3220 1.8580 -0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3170 4.1760 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2740 6.5450 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4120 7.4160 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 3.5360 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 5.9580 -3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 -3.8690 2.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 -4.3940 2.4130 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 46 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 46 47 1 0 0 0 0 M END