MDPI-ZINC01682523 MOE2007 3D CORINA 3.40 0006 02.08.2006 19 19 0 0 0 0 0 0 0 0999 V2000 -0.0670 1.5020 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.0050 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -0.7190 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -2.1010 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.7460 -0.0130 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0580 -2.1110 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -0.7170 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -0.0040 -2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 1.2100 -2.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -0.6990 -3.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -4.1620 -0.0110 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9290 1.8970 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 1.8500 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 1.8480 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -0.2030 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -2.6600 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -2.6730 -2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 -1.6670 -3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -0.2310 -4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 M CHG 1 5 1 M CHG 1 11 -1 M END