MDPI-ZINC03847135 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 42 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3570 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -0.8340 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -0.4860 0.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -1.5380 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 -1.4740 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 -2.5250 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7880 -1.9860 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 -0.5900 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 -0.3200 -0.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 0.5020 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7610 0.2820 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7490 1.6430 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6160 2.4690 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 2.1320 0.3510 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 3.1710 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 3.1060 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 4.1600 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 3.6260 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 2.2280 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 1.9600 -0.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 1.1440 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3380 4.3300 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 3.9290 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -2.7010 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -2.3000 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 1.8400 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -0.5160 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 -3.5760 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7120 -2.5340 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7540 -0.1960 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 2.1500 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 5.2100 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 4.1780 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 5.3460 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5040 4.5560 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 -3.7210 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -2.9310 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 20 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 26 2 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 M END