MDPI-ZINC03846382 MOE2007 3D CORINA 3.40 0006 02.08.2006 78 80 0 0 1 0 0 0 0 0999 V2000 0.5810 1.4930 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 0.0180 1.8000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1760 -0.4160 2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -0.0960 2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 0.5130 2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -0.2370 1.3300 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8020 -1.2870 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -0.1220 0.1710 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0590 -0.6560 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -0.7310 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 1.2780 -0.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 1.5610 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 0.6690 -2.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 2.9910 -1.8730 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1480 3.4180 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 3.0330 -3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 2.6790 -4.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9450 3.8050 -3.9540 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6110 4.6920 -4.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 4.1320 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 3.7800 -1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2830 3.3680 -4.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4090 2.2710 -4.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3360 4.1990 -4.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5930 3.7120 -4.9670 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3950 3.0110 -5.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3800 3.0040 -3.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6590 3.9880 -2.7240 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2200 3.4840 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4760 5.1670 -3.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6890 5.8740 -4.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4100 4.8900 -5.5000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3550 4.5240 -5.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6240 5.5980 -6.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4410 6.7760 -7.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3450 4.6140 -7.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3340 4.5020 -2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 0.3730 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9930 0.2580 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 -0.3770 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 1.9780 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 1.5690 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 1.9830 2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 0.4380 3.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -1.1470 3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 1.5640 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 0.4310 3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -1.7820 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -0.6490 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 2.3080 -3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 4.0340 -3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 1.7430 -3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 2.5790 -5.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 4.6930 -2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 4.0760 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7980 2.1650 -3.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3240 2.6380 -4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6750 5.8680 -2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4210 4.8010 -3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7450 6.2400 -3.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2720 6.7140 -4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 5.9640 -6.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3850 6.4100 -7.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8800 7.2800 -7.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6390 7.4770 -6.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2890 4.2480 -8.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7620 3.7740 -7.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7840 5.1180 -8.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 3.6590 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5200 5.0370 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 5.1750 -2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 1.4230 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 0.7920 2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 -0.7930 2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9480 0.6920 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 -0.2950 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5040 0.0570 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 -1.4280 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 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 44 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 46 1 0 0 0 0 5 47 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 37 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 32 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 M END