MDPI-ZINC03846440 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 0.0650 1.5690 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 0.0330 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.6370 1.2500 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5180 -0.3490 2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -2.1470 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -2.2210 -0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.7370 -0.9870 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1420 -0.3900 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -0.2660 -1.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 -0.2340 0.8870 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4180 0.8220 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 -1.0990 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 -0.4100 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 -1.1960 2.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 -2.3420 2.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -0.4450 -2.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -0.2700 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 1.9240 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 1.9740 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 2.0260 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -2.7920 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -2.4890 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -2.8270 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -2.6780 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 -1.3200 2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 -2.0580 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 -0.2190 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 0.5610 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 0.6060 -2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -1.0470 -3.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -0.6680 -2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 0.1870 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -1.3330 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 0.1420 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 -0.5810 2.2370 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 M CHG 1 35 -1 M END