MDPI-ZINC03850159 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.3930 -0.0240 -3.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 0.4950 -2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -0.6840 -1.3500 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0200 -1.5310 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -1.0780 -1.2140 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1100 -1.9420 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -1.4190 -2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9780 -2.0340 -2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 -1.1600 -1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 -1.3600 -1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0370 -0.5930 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4950 0.3820 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 0.5800 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -0.1890 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 0.0920 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3810 -0.7950 -0.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.2820 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -1.1980 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 1.1680 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -0.4120 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.7880 -0.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -0.4540 -4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -0.7880 -3.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 0.7990 -4.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 1.1620 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 1.0400 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -2.1330 -3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -0.5110 -3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -3.0170 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 -2.1410 -3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6220 -2.1200 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 0.9830 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 1.3380 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 0.9930 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 0.2470 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8450 -0.2610 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -1.0340 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.9750 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -2.2380 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 1.8240 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 1.4450 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 1.2680 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 -0.1100 1.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -0.2090 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 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 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 43 44 1 0 0 0 0 M END