MDPI-ZINC03846317 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 1 0 0 0 0 0999 V2000 -0.4540 1.8440 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 0.3020 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -0.0530 1.1630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6500 0.8090 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -1.1630 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -0.7610 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -0.3620 -1.2660 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1930 -1.6630 -1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 0.5890 -2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 1.3130 -2.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 0.7150 -3.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 0.8190 -3.7020 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9720 -0.3360 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -1.5180 2.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -0.2120 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 2.2910 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 2.1680 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 2.2740 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -1.2150 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -2.1470 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 0.0820 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -1.5740 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -1.5030 -2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -2.0760 -2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -2.4400 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -0.0370 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 -1.2820 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 0.3060 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 0.6790 -4.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 0.6690 2.5870 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 2 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 M CHG 1 12 -1 M CHG 1 30 -1 M END