MDPI-ZINC03848601 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.5520 0.7950 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 0.8330 2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 1.5410 3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 2.7800 3.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 3.3980 4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 2.7830 6.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 1.5380 6.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 0.9170 5.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -0.3050 5.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 0.9260 7.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 1.6250 8.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 3.4900 2.3770 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9750 3.3980 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 2.8700 1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 4.9700 2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 5.7070 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 5.9860 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 6.6620 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 7.0630 -1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 6.7870 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 6.1000 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 5.8220 1.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 6.7980 2.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 7.1810 -0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -0.2850 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 1.0200 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 1.1910 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 0.9320 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -0.2230 2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 4.3690 4.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 3.2720 6.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -0.2720 5.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 2.5800 8.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 1.8000 8.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 1.0270 9.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 3.2650 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 3.1080 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 5.3920 3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 5.0680 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 5.6750 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 6.8780 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 7.5920 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 7.7400 2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3430 6.4520 3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 6.9450 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 6.5260 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 1.4120 1.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 M END