MDPI-ZINC04293113 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 75 0 0 1 0 0 0 0 0999 V2000 -0.5150 1.5470 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 0.0480 -0.1280 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0830 -0.5010 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -0.2510 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 0.1840 -2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -0.2640 -3.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -0.4250 -3.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -0.3920 1.2730 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2790 0.2050 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -0.0580 2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -1.0970 3.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -1.9880 3.0780 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5360 -3.0080 3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -1.8950 1.5210 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0590 -2.3330 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -3.1560 0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -1.7320 1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 -2.0060 3.0630 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1600 -1.3170 3.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -1.5100 3.7540 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0910 -0.4150 3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -1.7840 5.2790 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0660 -1.6860 5.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 -3.1600 5.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -3.5440 5.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1300 -4.5960 5.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 -3.4490 3.4740 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3050 -3.7650 2.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4370 -2.9490 3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4770 -3.1100 5.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -2.7450 5.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8050 -4.4720 5.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8530 -4.3770 6.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5540 -3.1020 5.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 -2.2360 5.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 -4.5900 2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -0.7620 5.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 -0.9140 6.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -2.8300 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 2.1630 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 1.8520 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 1.7920 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 0.2300 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -1.3270 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -0.2070 -2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 1.2760 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 0.9500 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -0.0900 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -0.6080 4.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -1.7060 3.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 -2.1030 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -0.6530 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 -3.2070 6.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -3.9160 5.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5300 -4.8270 3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 -3.6490 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3870 -3.2890 3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3470 -1.8910 3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 -1.6660 5.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 -2.9300 6.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3980 -4.3090 7.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -5.2570 6.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1380 -2.6700 6.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1990 -3.2370 5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 -4.6790 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 -5.5590 3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 -4.4820 3.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -2.8200 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -3.8680 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -2.5600 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -0.3930 -4.9150 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 7 2 0 0 0 0 6 71 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 36 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 38 1 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 M CHG 1 71 -1 M END