MDPI-ZINC03845859 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 1 0 0 0 0 0999 V2000 0.9560 2.4030 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 0.9120 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 0.1340 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -1.3450 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -1.8670 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 0.6930 -2.4040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2910 -0.2100 -3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 0.4590 -4.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 1.8130 -5.0890 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0670 2.3100 -5.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 2.7010 -3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 2.0240 -2.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 3.3070 -3.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 3.8700 -3.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 1.6330 -5.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 1.4210 -4.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 1.7070 -6.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 1.5230 -6.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 0.6180 -1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 0.2690 -1.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 2.5390 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 2.7930 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 2.9370 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 0.5570 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 0.7610 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -1.4570 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -1.9140 -1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -1.2980 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -2.9210 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -1.7550 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 -0.4440 -3.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -1.1500 -3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -0.1810 -5.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 0.5830 -4.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 2.5070 -3.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 3.9420 -2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 3.9040 -4.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 4.3630 -4.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 4.5860 -3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 3.4850 -3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 2.2880 -6.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 0.5370 -6.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 1.6080 -7.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 1.2130 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 1.0060 -2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -0.4200 -1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 -0.2000 -2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 M END