MDPI-ZINC03847541 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 -0.8690 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 -1.3470 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 -1.4830 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -1.1380 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 -0.6550 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2820 -1.9540 0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9410 -2.0680 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -0.6400 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -2.1460 -0.0480 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -2.3850 0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -2.1940 1.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -3.4540 -1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -4.0590 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -5.0840 -2.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -5.5050 -2.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -4.9000 -1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -3.8770 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -0.7630 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 -1.6160 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -1.2430 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -0.3820 -2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 -1.0860 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3820 -2.7490 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9490 -2.4540 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -0.7300 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 0.2200 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -3.7300 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 -5.5570 -3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -6.3050 -3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -5.2280 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -3.4070 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 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 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END