MDPI-ZINC03847459 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 -3.0690 1.0900 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -0.1400 -0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -0.6140 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -2.1220 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -3.8250 -0.9560 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1520 -4.4240 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -4.1030 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -3.1980 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 -3.4480 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -4.6080 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -5.5200 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -5.2600 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -6.5690 2.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 -6.0960 3.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 -5.0850 2.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -4.1870 -2.4150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2760 -5.2300 -2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -3.9830 -3.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -2.7490 -3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -2.5570 -4.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 -3.6020 -4.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -4.8450 -4.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -5.0320 -3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 -5.6980 -4.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -5.0810 -5.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -3.6750 -5.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -3.3500 -2.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 0.0500 0.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 1.4220 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 0.9410 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 1.8460 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 1.4220 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 -0.4080 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -2.4840 1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -2.6280 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -2.2930 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 -2.7390 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -5.9630 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -5.6640 3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 -6.9050 3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -1.9330 -3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 -1.5920 -4.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -5.9960 -2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -5.4250 -6.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0690 -5.2880 -5.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -2.4040 -2.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 2.0120 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 1.5160 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 1.7850 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -2.4000 -0.8630 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -2.0940 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 50 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 50 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 50 51 1 0 0 0 0 M END