MDPI-ZINC03847261 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 38 0 0 1 0 0 0 0 0999 V2000 -0.1390 1.3130 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -0.0740 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -0.7450 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 -0.0120 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 1.3760 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 2.0540 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 1.8880 0.0560 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8360 2.1790 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 3.0130 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6800 3.0480 1.0280 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0220 4.0540 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 2.1070 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 0.7120 -0.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4950 0.1190 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 0.5810 0.4020 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3870 0.4480 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 -0.4980 -0.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 0.3740 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4780 1.1640 -1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 2.4050 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8830 3.4530 -1.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0910 2.8250 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3820 1.6380 2.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 1.8150 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -0.6310 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -1.8160 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 3.1270 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 3.9700 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 2.9110 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 -1.4130 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 -0.7000 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 0.7310 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3550 0.6240 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6070 1.4210 -2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 3.8640 3.2320 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 M CHG 1 35 -1 M END