MDPI-ZINC03847174 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.5310 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 0.0130 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.4910 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -0.5730 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 -0.1710 -2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 1.3280 -2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 1.9860 -3.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 1.9660 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 1.5300 -1.2030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7180 1.8890 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 2.0340 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 1.9710 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 1.8620 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -0.4260 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -0.3200 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -1.5860 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -0.1320 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 -0.1970 -3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -1.6620 -2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.5960 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 -0.5160 -3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.6720 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 3.0560 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 3.1300 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 1.7120 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 0.0050 -1.2490 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5310 -0.3690 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 26 1 M END