MDPI-ZINC03845361 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.2590 1.8150 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 0.2950 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -0.3110 1.5070 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1950 -0.0150 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 0.0900 2.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 0.0080 2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -0.4420 0.5390 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4850 -1.8990 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -2.8880 0.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -1.8310 1.2700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9030 -2.3690 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -2.4000 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -1.6600 -0.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -3.8520 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -4.3840 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -5.7460 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -6.5870 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -6.0690 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -4.7090 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -0.1570 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -0.1300 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 2.2710 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 2.1870 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 2.0710 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -0.6120 3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 1.1060 2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -0.7370 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 0.9830 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 -3.7290 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 -6.1580 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -7.6530 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -6.7310 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -4.3070 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -0.4560 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 -0.7210 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 0.9080 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 0.1650 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -1.2120 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 0.3550 -1.8800 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 7 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 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 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END