MDPI-ZINC02163727 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.1220 1.3870 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -0.0080 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -0.6820 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 0.0630 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 1.4640 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 2.1200 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 2.2390 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1420 2.2650 -1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4540 3.0310 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0530 3.3100 -0.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -2.1880 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -2.6700 -1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -4.1880 -1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -4.8360 -0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 1.9040 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -0.5670 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 -0.4540 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 3.2060 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 3.2620 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 1.7830 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 1.2440 -1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 2.7200 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -2.5380 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -2.6140 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -2.3080 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -2.2640 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 3.3110 -2.7200 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4960 -4.6250 -2.6920 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 15 1 0 0 0 0 2 3 2 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 M CHG 1 27 -1 M CHG 1 28 -1 M END