MDPI-ZINC03843493 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 3.1710 1.0510 3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -0.2720 3.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -0.6890 2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 0.2640 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 1.6070 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 1.9800 2.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3770 2.4880 0.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 3.7340 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 4.3120 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 5.5810 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 6.2660 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 5.7020 -1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 4.4390 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 3.8310 -1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1740 2.6200 -1.1020 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9590 6.1920 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 5.5360 1.4380 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7420 -2.1210 2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 -2.4420 1.2630 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6540 1.3640 4.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 -0.9840 4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 -0.0490 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 3.0090 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 2.1920 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 3.7700 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 7.2450 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 6.2470 -2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6610 4.5500 -2.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 7.3160 0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 -2.9120 3.2990 O 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 18 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 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 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 16 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 12 27 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 28 2 0 0 0 0 16 17 1 0 0 0 0 16 29 2 0 0 0 0 18 19 1 0 0 0 0 18 30 2 0 0 0 0 M CHG 1 15 -1 M CHG 1 17 -1 M CHG 1 19 -1 M END