MDPI-ZINC03846864 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 71 0 0 1 0 0 0 0 0999 V2000 0.0040 1.4810 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -0.0420 0.1640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7040 -0.5780 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -0.0760 1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 -0.4100 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 -0.9600 0.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -0.0440 -1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.5730 -1.0690 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7910 -1.6720 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -0.2200 -2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -0.7630 -2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -0.1390 -1.1600 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9910 0.9590 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -0.5930 0.1220 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3010 -1.6840 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -0.2120 1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -1.0560 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 -1.4400 -0.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5870 -0.3890 -1.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0780 0.5750 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 -0.9390 -2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6110 -1.5090 -1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 -1.5470 -0.2690 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.2600 -0.3830 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7550 -0.5520 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5130 0.6010 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7400 1.7460 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4350 2.8030 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9030 2.7150 1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6770 1.5690 2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9860 0.5100 1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9740 -2.7940 0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -2.8260 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 1.8490 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 1.8600 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 1.8240 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -0.2410 2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -1.6690 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 0.9960 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 -0.5830 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 1.0320 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -0.5210 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 0.8600 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -0.6670 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -0.4820 -3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -1.8460 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -0.3920 2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 0.8470 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -1.9720 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 -0.4990 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 -0.1310 -3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -1.7160 -2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4350 -0.8590 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7720 -2.5150 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0910 -0.3640 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 0.5520 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9240 -0.5700 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1030 -1.4870 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3740 1.8150 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6110 3.6980 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4450 3.5410 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0420 1.5010 3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8120 -0.3860 2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9240 -2.9280 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -3.5390 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -3.1570 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -2.7630 -0.4650 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 8 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 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 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 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 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 33 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 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 31 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