MDPI-ZINC03843695 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -2.0420 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -2.5400 -0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4930 -2.1680 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -2.0300 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.4980 -1.2560 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7430 -0.1240 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 0.0120 -2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -0.5230 -2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 -0.0420 -1.2240 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1920 1.0480 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -0.5340 0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4220 -1.6240 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -0.0040 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 -0.5980 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 -0.2160 0.0700 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6150 -0.5680 -1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6580 -1.6330 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 0.3030 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6530 1.6260 -1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 1.2920 -0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9580 1.6240 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 2.0170 0.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6910 -0.9390 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -3.9680 -0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -0.1380 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -0.1570 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -2.4040 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -2.4140 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -2.3840 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -2.4020 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 1.1020 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -0.3330 -3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -0.1610 -3.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -1.6130 -2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -0.3050 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 1.0830 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -1.6840 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 -0.2280 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 0.4810 -3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 -0.1740 -2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 2.3520 -1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 2.0230 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9400 1.3230 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1380 2.6970 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7540 1.0890 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 2.9770 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2380 -0.6560 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2700 -0.6600 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5260 -2.0170 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -4.3620 0.7270 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 8 1 0 0 0 0 2 14 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 27 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 M END