MDPI-ZINC03844017 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 0.3210 1.3360 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.1390 -0.0080 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0730 -0.2830 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -0.9910 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -0.6560 2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -1.4950 3.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -2.2810 3.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -1.3700 4.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -2.2100 5.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -0.5600 -1.3490 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6480 -0.2950 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -2.0790 -1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -2.2220 -3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -0.8670 -3.6480 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2860 -0.8530 -3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 0.0980 -2.5020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2050 1.5110 -2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 1.9160 -4.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 0.8820 -4.9190 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0220 0.8070 -4.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 -0.4980 -4.9540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3930 -0.4500 -5.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -1.4850 -5.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -1.1600 -6.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 0.1050 -7.2820 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1980 -0.0430 -7.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 1.2680 -6.3240 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8380 2.5190 -6.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 2.8550 -8.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 1.6770 -9.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 0.4250 -8.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 1.5350 -6.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 0.0130 -2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 1.5050 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 1.9530 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 1.6010 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -2.0470 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -0.7810 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 0.4000 2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -0.8660 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -3.2580 5.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -1.9930 5.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -2.0100 6.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -2.6030 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -2.4780 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -3.0300 -3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -2.3930 -3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 2.1990 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 1.6210 -2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 2.8750 -4.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 2.0730 -4.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -2.3570 -4.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -1.7540 -7.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 3.3590 -6.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 2.3560 -6.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 3.1420 -8.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 3.7090 -8.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 1.9290 -10.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 1.4720 -9.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -0.4140 -9.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 0.5770 -8.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 2.3450 -5.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 1.8170 -7.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 0.6340 -5.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 0.6620 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 0.3310 -2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -1.0150 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 M END