MDPI-ZINC04701253 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 60 0 0 0 0 0 0 0 0999 V2000 2.7610 1.4200 8.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 0.7440 8.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 0.3440 8.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 0.6150 7.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3280 1.2990 6.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 1.6980 6.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 1.4180 5.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 1.8430 4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1820 0.8210 5.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3330 0.3530 6.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 0.7210 4.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3550 0.1100 4.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3040 -0.0920 3.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4890 -0.8070 3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3700 -0.9940 2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0900 -0.4710 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9060 0.2440 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0220 0.4260 1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9710 -0.6580 0.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6020 0.3500 -0.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0720 1.5960 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9350 2.2550 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3410 1.6270 2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1960 2.2750 3.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6490 3.5540 3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2430 4.1930 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3780 3.5550 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9710 4.1850 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1050 3.5610 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6510 2.2820 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7710 1.6980 -2.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5800 4.3910 -2.8110 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 3.9090 -3.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8740 5.7680 -2.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4770 4.3580 4.9770 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4450 5.3220 4.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4380 3.3290 5.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 1.7250 8.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 0.5340 9.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 -0.1800 9.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 2.2230 6.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9620 1.1370 3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6030 -0.2310 5.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7050 -1.2100 4.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2840 -1.5460 2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6900 0.6480 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1060 0.9730 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7670 0.6350 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5110 1.7900 4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8200 5.1850 2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5460 5.1770 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9730 1.2400 -2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 3.9150 -3.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7600 5.1380 5.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7710 5.6210 6.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3200 4.3690 -4.7860 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 38 1 0 0 0 0 2 3 2 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 30 2 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 35 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 31 52 1 0 0 0 0 32 33 2 0 0 0 0 32 34 2 0 0 0 0 32 53 1 0 0 0 0 35 36 2 0 0 0 0 35 37 2 0 0 0 0 35 54 1 0 0 0 0 53 56 1 0 0 0 0 54 55 1 0 0 0 0 M END