MDPI-ZINC04267456 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1780 3.9480 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 4.1050 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 5.6350 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 6.1740 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 5.4120 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 4.0930 -0.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 6.0120 -1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 6.4870 -2.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1590 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.7540 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 3.6980 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 3.8020 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 5.9330 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 6.0340 2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 7.2170 0.2480 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 16 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 3 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