MDPI-ZINC03844069 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 1 0 0 0 0 0999 V2000 0.1410 1.7240 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 0.1860 0.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9570 -0.1160 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -0.3570 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 0.1930 2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -0.2960 3.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -1.3600 3.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -1.9340 2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -1.4610 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -2.1370 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -1.8840 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -0.3840 -1.2990 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6530 0.1210 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -0.2270 -2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -0.2030 -2.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -1.9290 4.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -1.3830 6.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0930 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 2.0940 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 2.1850 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 1.0110 2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 0.1780 4.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 -2.7720 2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -1.7700 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -3.2200 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -2.3090 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.4100 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -0.3340 6.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -1.4990 6.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -1.9430 6.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -0.1400 -3.6370 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 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 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 16 17 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 M CHG 1 31 -1 M END