MDPI-ZINC04293157 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 1 0 0 0 0 0999 V2000 -0.4360 1.4630 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.0040 0.0060 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8820 -0.6430 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -0.2590 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -0.0230 -2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -0.2740 -3.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -0.6080 -3.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -0.3190 1.3030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6840 0.2350 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 0.0380 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -1.2740 3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -2.1530 2.9040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7030 -3.2140 3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -1.8260 1.4050 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3590 -2.2160 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 -1.6150 1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -2.1260 3.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3990 -3.2160 3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -1.6290 3.7000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0730 -0.5400 3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -2.1000 5.1510 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9560 -3.1900 5.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -1.5690 5.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 -2.0960 5.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4380 -3.1860 5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -1.6020 3.8950 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5880 -0.0720 3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 0.4520 4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 -0.0240 6.1130 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5150 0.3480 6.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 -1.5760 6.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 0.4710 6.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 -2.1310 3.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -1.6100 5.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -2.5780 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 2.1020 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 1.6880 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 1.6450 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 0.4210 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -1.2890 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -0.7030 -2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 1.0070 -2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 0.7710 3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 0.4330 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -1.0810 4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 -1.7530 3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -3.3020 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 -1.8580 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -1.9230 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 -0.5280 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -0.4790 5.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 -1.9060 6.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6690 0.2670 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 0.3050 4.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7050 0.0750 4.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7830 1.5420 4.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 -1.9240 7.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 -1.9460 5.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 1.4360 6.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 -1.7910 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7300 -1.7570 3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 -3.2200 3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -1.8700 6.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.3590 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -3.6490 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -2.2600 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -0.1280 -4.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.3000 -5.6370 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