MDPI-ZINC03844748 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 0 0 0 0 0 0 0 0999 V2000 0.4860 1.9750 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 1.8370 2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 1.2980 2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 0.8900 1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 0.3460 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 -0.0330 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 0.0850 -1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 0.6230 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 1.0310 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 1.5750 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 -0.6200 -0.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 0.2950 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9920 1.5110 -0.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3690 -0.4100 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4450 -1.7740 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6870 -2.4030 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8610 -1.6760 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7820 -0.3170 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 0.3230 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2980 0.6220 -0.4200 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9050 1.5670 0.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2460 -0.4040 0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 2.3950 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 2.1500 3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 1.2020 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 0.2240 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 -0.2320 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 0.7210 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 1.6920 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5480 -2.3700 -1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7390 -3.4610 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8280 -2.1650 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5140 1.3820 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5380 1.1940 -1.7410 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 M CHG 1 34 -1 M END