MDPI-ZINC04293156 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 1 0 0 0 0 0999 V2000 -0.5930 1.4610 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 0.0380 0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9040 -0.6530 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.0250 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 0.2890 -2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 0.2270 -3.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -0.0410 -3.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -0.3520 1.3210 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7270 0.1970 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.1570 2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -1.4800 3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -2.1120 2.7760 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2820 -1.4870 3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -1.8720 1.2860 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2380 -2.2740 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -3.6320 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -4.3680 1.8300 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9860 -4.6030 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -3.5360 3.0930 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6760 -3.5390 3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -4.2370 3.9670 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2340 -4.3850 3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -5.5950 4.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -6.4440 3.1590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6380 -6.6140 2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -5.7270 2.2180 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8980 -5.5520 2.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -6.9100 3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -7.6950 4.1750 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9360 -8.7180 4.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -7.7980 3.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -7.1130 5.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 -6.5670 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -3.4700 5.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -2.5470 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 2.1510 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 1.7390 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 1.5060 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 0.7050 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -1.0240 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -0.4410 -2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.2880 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 0.6750 3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 0.0160 2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -1.2440 4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -2.1050 3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -2.3250 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -1.5080 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -4.2350 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 -3.4740 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 -5.4180 4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -6.1130 5.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 -5.0400 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 -4.9490 3.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 -7.4860 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 -6.7420 3.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -8.2280 4.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -8.4850 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 -7.0930 5.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -6.0510 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 -7.5380 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -6.7080 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -3.8640 5.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -2.2950 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -3.6280 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -2.1990 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 0.4700 -4.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 0.4190 -5.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 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 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 2 0 0 0 0 6 67 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 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 35 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 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 23 1 0 0 0 0 21 34 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 26 27 1 0 0 0 0 26 33 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 67 68 1 0 0 0 0 M END