MDPI-ZINC03848604 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.5290 0.8010 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 0.8370 2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 1.5420 3.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 2.7780 3.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 3.3940 4.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 2.7780 6.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 1.5350 6.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 0.9170 5.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -0.3030 5.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 0.9220 7.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 1.6180 8.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 3.4880 2.3750 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9670 3.3920 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 2.8740 1.3640 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 -4.6250 7.1810 -0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 7.8750 -1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -0.2800 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 1.0310 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 1.1960 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 0.9410 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -0.2200 2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 4.3630 4.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 3.2640 6.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -0.2650 5.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 2.5750 8.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 1.7890 8.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 1.0200 9.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 3.2690 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 3.1150 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 5.3890 3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 5.0720 2.8440 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 -4.3570 6.5110 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 8.7870 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 7.2380 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 8.1310 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 1.4140 1.3660 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 23 1 0 0 0 0 21 22 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M END