MDPI-ZINC03845796 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 0.1050 1.4210 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0470 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -0.7490 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -0.1510 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 1.2290 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 2.0060 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 1.9240 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 2.3010 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 3.0860 -1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 3.3020 -0.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 -1.0270 -0.3890 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6740 -1.5130 -1.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 -1.2610 0.6140 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7780 2.0440 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -0.3990 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -1.8190 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 3.0830 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 2.8230 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 1.2970 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 1.4000 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 2.9130 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9600 3.4300 -2.6730 O 0 5 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 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 22 -1 M END