MDPI-ZINC02385217 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 0 0 0 0 0 0999 V2000 0.8520 1.4930 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 0.1960 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -0.9370 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -1.8220 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -1.4210 2.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -2.1930 3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -3.3830 3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -3.7920 2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -3.0210 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -3.5300 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -2.6780 -0.9220 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8820 1.8190 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 2.2550 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -0.0880 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 -1.5210 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 -0.5470 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -0.4940 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -1.8670 4.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -3.9940 4.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -4.7250 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -4.7870 -0.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 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 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 21 2 0 0 0 0 M CHG 1 11 -1 M END