MDPI-ZINC03850129 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 0.9730 -0.0860 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 0.3310 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 0.3580 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -0.6730 -0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8930 -0.6470 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 -0.3120 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 0.1780 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 0.5090 2.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 0.3510 3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -0.1390 3.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -0.4740 2.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -2.0790 0.1860 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1760 -2.1160 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -2.4360 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -3.8910 -0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -4.8220 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -4.5550 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -3.0820 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -2.7150 0.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 1.7030 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 2.2490 1.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 0.5680 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -0.0050 1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -1.1160 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -0.6600 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 0.7970 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 0.9550 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 0.3010 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2570 0.8920 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4210 0.6110 4.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -0.2620 4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -0.8610 2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -2.3080 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -1.7820 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 -4.1260 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -4.0330 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -4.6370 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -5.8580 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -5.1430 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -4.8240 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 2.3170 -0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 3.2250 -0.2590 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 4 1 0 0 0 0 2 20 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 41 42 1 0 0 0 0 M END