MDPI-ZINC03845429 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -0.8130 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 -1.2700 2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -1.4210 3.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -1.8720 4.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 -2.3090 5.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 -2.6740 6.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 -2.6060 7.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -2.1760 6.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -1.8040 5.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -1.3440 4.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -1.2070 5.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -1.1080 3.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -0.6430 2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.2980 2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 -1.4560 2.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 -1.6050 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -1.3740 0.8500 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 -0.8020 3.0450 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 -2.9520 2.4820 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -0.6950 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5830 -2.3630 4.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7090 -3.0130 7.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 -2.8940 8.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -2.1270 7.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 0.0470 3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 0.4910 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -1.3070 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 16 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 M END