MDPI-ZINC03844015 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 -1.4200 -0.2860 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -0.0390 0.0570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5410 -0.4840 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 1.4670 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 2.0880 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 3.5710 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 4.0800 0.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 4.3280 2.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.7480 2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -0.6690 -1.1910 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7510 -0.4280 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.1940 -2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -1.4140 -2.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -2.3060 -1.7080 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6100 -1.8080 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -2.2000 -1.2120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7100 -2.9340 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -4.3480 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -4.7330 -1.3140 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4130 -4.8200 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -3.7110 -1.8660 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3480 -3.8070 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -4.1100 -3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -5.3410 -3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 -6.0520 -2.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0930 -5.4650 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -6.1230 -1.3550 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1980 -6.7380 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -8.1270 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 -8.0700 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -7.4440 -2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -6.9960 -2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -2.7020 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -0.2080 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -1.2830 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 0.4570 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 1.6440 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 1.9220 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 1.9120 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 1.6340 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 5.8960 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 6.1740 1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 6.2410 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 0.6300 -2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 0.1120 -3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -1.0930 -3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -1.9040 -3.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.0120 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -2.3920 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -5.0700 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -4.4050 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -3.4760 -4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -5.7840 -4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -6.8240 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -6.0980 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -8.8170 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -8.5080 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -9.0830 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -7.4770 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -7.3580 -2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -8.0760 -2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -7.0250 -1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -8.0060 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -6.5760 -3.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -2.2900 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -3.7900 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -2.3800 -3.2530 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