MDPI-ZINC04267859 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 69 0 0 0 0 0 0 0 0999 V2000 11.7210 -1.7390 2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5750 -0.9080 2.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4020 -1.3720 3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3010 -0.5310 2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0390 -0.8820 3.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8830 -2.0760 4.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9700 -2.9330 4.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2320 -2.5760 3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5510 -2.4980 4.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5840 4.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 -1.6600 5.3510 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 -0.4830 6.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 -0.5410 7.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -2.0500 7.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 -1.9550 5.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 -0.7410 9.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 0.7190 9.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 1.4260 8.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 2.7860 8.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 3.4020 7.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 4.7900 7.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 5.5810 8.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 4.9590 9.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 3.5660 9.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 7.0390 8.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 7.8570 7.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 7.4500 7.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 6.3550 7.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 8.4480 6.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 8.4260 6.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 9.3420 6.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 10.2740 5.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 10.2870 5.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 9.3730 5.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5760 -2.7000 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5620 -1.2320 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9800 -1.8810 3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4280 0.3990 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 -0.2300 3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8410 -3.8820 4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0560 -3.2640 3.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 -0.3950 5.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 0.4000 5.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 -1.3660 8.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 0.4050 8.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 -2.1440 7.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 -2.8880 7.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 -1.1390 5.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -2.8810 5.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 -1.3420 9.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -1.1860 9.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 0.7900 10.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 1.1130 9.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 2.8050 6.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 5.2490 6.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 5.5560 10.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 3.1270 10.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 7.4800 8.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 8.9250 7.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 7.7010 7.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 9.3270 6.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 10.9850 4.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 11.0060 4.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 9.3880 5.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -0.7830 7.7960 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0710 0.0090 7.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 13 65 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 14 65 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 16 65 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 2 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 32 33 2 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 65 66 1 0 0 0 0 M CHG 1 65 1 M END