MDPI-ZINC03847476 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.0950 1.0020 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 1.0020 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 1.8260 3.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 1.8860 3.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 2.2720 4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1090 2.3450 4.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 2.0290 4.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 1.6440 2.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 1.5700 2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 1.1360 1.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0200 0.0550 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 1.8170 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 3.3340 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 3.9980 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 4.3680 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 4.9780 -1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 5.2200 -2.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 4.8480 -3.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 4.2420 -2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 5.0830 -4.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 4.6740 -4.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 5.8200 -3.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3860 2.0980 4.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 2.7220 6.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 3.0310 7.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -0.0790 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 1.2430 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 1.4700 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 1.1050 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -0.0470 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 1.3640 3.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 2.8360 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 2.5170 5.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 1.3980 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 1.4800 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 1.5580 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 3.6830 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 3.5850 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 4.1800 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5350 5.2660 -1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 3.9570 -2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 4.9190 -5.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 5.1930 -3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 3.5980 -4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 6.7840 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7840 2.9610 4.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 3.8560 6.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 3.3170 8.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 2.1550 7.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.5040 0.7800 N 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 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 24 1 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 50 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 M END