MDPI-ZINC03847523 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 1 0 0 0 0 0999 V2000 -0.6950 1.3860 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 0.0430 0.0810 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6920 -0.5350 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -1.5430 2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -1.7470 3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -2.6040 4.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -2.5270 4.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 -1.6340 4.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -0.7840 3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -0.8600 2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -0.1610 1.6110 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 0.5260 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 -1.5930 5.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -3.3220 6.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -2.2020 1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -2.2410 0.3530 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7830 -2.9620 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -2.6090 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -1.6240 -0.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 0.2850 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 0.9420 -0.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 2.1150 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 1.8210 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 1.2830 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -3.2960 4.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2890 -0.0950 3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5310 -2.2680 6.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -3.8950 6.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -3.2230 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -1.6540 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -0.8920 -0.3310 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.4830 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -1.0320 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 -3.7720 0.6530 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3820 -0.2660 -2.2040 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 31 1 M CHG 1 34 -1 M CHG 1 35 -1 M END