MDPI-ZINC03852486 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 2.1970 2.0270 1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 0.8710 2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -0.0050 2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.2710 1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 1.4220 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 2.3120 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 3.4560 0.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 4.1070 0.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 3.4360 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 2.0560 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 1.3870 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 2.0790 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8710 3.4460 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 4.1290 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 1.3530 0.0390 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1990 0.1500 -0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2210 1.9590 0.2160 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0700 -1.2430 3.3180 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9820 -1.4890 4.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -2.0170 3.2160 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0260 2.7120 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 0.6500 3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -0.4180 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 1.6360 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 1.5150 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 0.3200 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7970 3.9790 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 5.1970 0.4450 H 0 0 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 18 1 M CHG 1 20 -1 M END