MDPI-ZINC03850348 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 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 3.7110 -0.7070 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5940 -1.6950 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -0.8160 1.3900 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1050 -1.8080 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7070 -0.6000 1.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 -0.4200 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 0.0580 -0.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 0.2570 2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 0.0560 3.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 -0.8510 3.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 0.8870 4.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 0.6340 6.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 1.6590 6.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 2.5180 6.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 1.6180 8.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 2.5670 9.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 2.5220 10.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7760 1.5410 11.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 0.5980 10.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9470 0.6260 8.8690 C 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 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7480 0.3140 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2350 -1.3710 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 1.2430 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 0.1800 2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 -0.3630 6.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3630 0.7000 6.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 3.3340 8.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 3.2540 11.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 1.5110 12.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 -0.1650 10.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 -0.1140 8.1910 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END