MDPI-ZINC03843642 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 0.5930 2.7960 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 1.2690 -0.0450 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3520 0.7840 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 1.0720 2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 0.2770 2.3610 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5800 -0.7870 2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 0.7410 1.1230 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8630 1.7840 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 0.6560 -0.1260 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3270 1.1360 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -0.8070 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -0.6960 -1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 0.6390 -1.2530 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3060 1.2980 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 0.3900 -0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 -0.7010 -0.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 -0.1250 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -0.1160 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 0.1910 3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 0.5360 3.6230 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5140 2.0000 4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 2.4170 4.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 1.2590 5.6280 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1030 1.6300 6.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9490 0.2350 4.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 0.6740 6.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -0.3220 4.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 3.1850 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 3.0990 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 3.1940 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -0.2900 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 1.2980 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 0.7720 3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 2.1380 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -1.3930 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -1.2440 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -1.5270 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -0.6960 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 0.2710 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -1.1480 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 -0.3800 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 2.1290 4.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 2.6250 3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 3.2490 5.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 2.7360 4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 0.5030 4.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9390 -0.7350 5.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -0.0060 7.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 0.2840 5.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -0.7010 5.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -1.1590 4.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 1.3800 -1.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 1.1730 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 13 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 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 52 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 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 52 53 1 0 0 0 0 M END