MDPI-ZINC04273433 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2060 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0320 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4210 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -0.6480 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8210 0.0710 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9550 -0.5610 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2210 0.1950 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 1.5920 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3920 2.2930 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5980 1.6160 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6230 0.2320 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4430 -0.4820 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9190 -0.4830 -0.1020 N 0 3 0 0 0 0 0 0 0 0 0 0 11.9620 0.1460 -0.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9420 -1.7010 -0.1080 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.7600 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 1.9770 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -1.6180 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 -1.6410 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2630 2.1220 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3800 3.3730 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5260 2.1700 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4640 -1.5620 -0.0720 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 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 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 27 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END