MDPI-ZINC03852571 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2080 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0180 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 1.3980 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.5700 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 4.2720 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 5.6520 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 6.3390 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 5.6490 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 4.2680 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 3.4020 -2.0610 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 7.8190 0.0350 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8080 8.4300 0.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 8.4270 -0.7620 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2220 -2.1620 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1720 -2.7810 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -2.7610 -0.0350 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9040 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 3.3390 -0.5160 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 1.9440 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 3.7360 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 6.1960 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 6.1910 -1.5960 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 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 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 17 1 M CHG 1 19 -1 M END