MDPI-ZINC03846961 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 1 0 0 0 0 0999 V2000 0.6170 0.7450 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -0.7060 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -0.7380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -0.7490 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -0.5890 -2.4390 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2640 -0.3750 -2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 0.5480 -3.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 1.6380 -3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 2.6820 -4.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 2.6350 -4.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8170 1.5400 -4.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 0.4970 -3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 3.6610 -5.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9730 3.5460 -5.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 4.7860 -6.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 6.1220 -8.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 6.1510 -9.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 5.0430 -10.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 3.7710 -9.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 3.7180 -8.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.8630 -3.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -2.6110 -3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -3.7400 -4.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -3.9090 -4.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 -2.5940 -3.7690 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -0.7570 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -1.8500 2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -1.8620 3.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 -0.7930 3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 0.2940 2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 0.3210 1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 0.7680 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 1.3070 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 1.1920 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.1530 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -1.2680 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 -0.8720 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 1.6740 -3.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 3.5330 -4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8580 1.5020 -4.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -0.3580 -3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 2.6570 -6.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 3.4620 -4.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4830 4.7390 -6.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 5.6800 -5.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 6.9310 -7.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 6.2460 -8.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 7.0820 -10.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 6.0820 -9.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 2.9810 -10.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 3.6330 -9.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 3.8030 -8.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 2.7720 -8.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -2.3560 -3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -4.4320 -4.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -4.7290 -5.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -2.6860 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -2.7080 4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 -0.8070 4.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 1.1260 3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 1.1730 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6940 4.8320 -7.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 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 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 62 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 62 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 62 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 M END