MDPI-ZINC04265920 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 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 1.6340 4.0680 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 4.3130 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 4.2460 -0.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 2.1680 -0.0230 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7120 1.5740 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 3.3860 -0.0170 O 0 5 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 2.2910 -2.7540 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2930 -0.7750 0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4610 -1.4270 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -1.2210 1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -0.1560 0.6100 O 0 0 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 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 5.2670 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 3.7020 -2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -2.1680 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -0.9590 2.2580 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 14 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 11 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 10 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 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 14 1 M CHG 1 16 -1 M END