MDPI-ZINC04293157 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 -0.4650 1.5930 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 0.0820 -0.0910 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1290 -0.4070 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -0.2070 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 0.4470 -2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -0.0200 -3.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -0.7260 -3.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -0.4630 1.2920 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1910 0.1290 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -0.2130 2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -1.3240 3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -2.1560 3.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4470 -3.2120 3.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -1.9800 1.4680 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0210 -2.4230 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -1.7610 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -2.1120 3.1030 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2710 -3.2120 3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -1.6960 3.7960 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8570 -0.6010 3.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -2.2660 5.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0530 -3.3580 5.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 -1.6700 6.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 -1.9920 5.3600 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5800 -3.0850 5.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 -1.5920 3.8500 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6930 -0.0530 3.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8840 0.5020 4.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8490 0.1110 5.9880 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7970 0.4020 6.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -1.3890 6.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 0.8680 6.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8190 0.6080 7.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7650 -2.2820 3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -1.9860 5.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -2.5890 5.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -2.8780 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 2.1560 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 1.9740 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 1.8250 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 0.0990 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -1.2850 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 0.2430 -2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 1.5340 -2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 0.7650 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -0.2180 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -0.8870 4.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -1.9570 3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -3.5110 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -2.2570 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -2.1240 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 -0.6790 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 -0.5900 6.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -2.0540 7.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 0.2320 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 0.4590 4.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 0.1530 4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 1.5950 4.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -1.5930 7.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5530 -1.9150 5.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 -1.9160 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 -2.1100 3.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 -3.3680 3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -2.8320 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -3.9270 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -2.5980 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 0.3750 -4.8870 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 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 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 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 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 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 37 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 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 35 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 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 34 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 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 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 M CHG 1 67 -1 M END