MDPI-ZINC03845871 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 1 0 0 0 0 0999 V2000 1.3760 -0.0850 -0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 0.0970 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -0.3160 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -0.7770 1.6840 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0290 -0.5610 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -0.4750 2.9590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8050 -1.2390 4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -1.2730 5.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -1.8950 4.9330 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1450 -1.8340 5.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -1.1420 3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -0.8620 2.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 0.1450 4.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -2.0280 3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -3.3460 4.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -3.6590 3.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 1.0320 3.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -2.1550 1.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 -1.1420 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 0.4720 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 0.2870 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 1.1430 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -1.3940 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -0.0380 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 0.1910 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -2.2500 3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -0.7320 4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -1.8770 6.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -0.2650 5.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 0.7720 4.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 0.6850 3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 -0.1080 5.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -2.1810 3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -1.5380 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -2.9920 2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 1.5760 2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 1.2640 4.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 1.3260 3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -2.4180 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -4.2930 5.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -5.2100 4.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 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 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 40 41 1 0 0 0 0 M END