MDPI-ZINC04273509 MOE2007 3D CORINA 3.40 0006 02.08.2006 81 84 0 0 1 0 0 0 0 0999 V2000 0.9980 1.6290 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 0.1210 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -0.1400 -1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -0.4720 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -0.3220 2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -0.9150 3.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -0.7650 4.4700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7090 0.2830 4.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -1.6050 4.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -1.2440 5.6810 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9500 -2.3190 5.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -0.4980 5.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 0.2570 7.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -0.5500 7.9890 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7720 0.0340 8.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -0.9000 6.9790 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1390 -2.0210 7.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -3.2540 7.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -2.8550 8.9750 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3450 -2.4310 9.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -1.8060 8.4470 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6040 -1.5370 9.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 -2.4010 7.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 -3.6220 7.7470 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0050 -4.0480 6.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 -4.6730 8.3060 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6700 -4.0970 9.4500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6610 -5.1190 9.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -6.3320 10.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -6.8710 9.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -8.0400 9.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 -5.8710 8.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -3.7050 10.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 -5.0940 7.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 -3.2200 8.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6060 -2.8380 8.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 -2.8410 7.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6240 -2.4070 9.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 0.3400 6.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 2.0940 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 2.0520 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 1.8150 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -0.3440 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 0.3250 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -1.2140 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 0.2830 -2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -1.5290 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 0.0540 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 0.7350 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.8480 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -1.9720 3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -0.3890 3.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -1.4050 5.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -1.3470 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -2.6630 4.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 -1.2110 5.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 0.2090 4.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 0.2470 7.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 1.2800 6.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -1.6780 8.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -2.2890 6.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -4.0360 8.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -3.6140 6.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -2.7020 6.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -1.6570 6.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -4.6620 10.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -5.4390 9.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -6.0300 11.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -7.1000 10.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 -6.3600 7.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0620 -5.5270 9.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 -3.4490 11.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -4.5420 10.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -2.8450 10.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -5.4880 6.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8130 -3.2270 10.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -2.1360 8.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 -1.5460 9.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 0.1000 6.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 0.6640 7.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 1.1400 6.3340 H 0 0 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 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 6 7 1 0 0 0 0 6 51 1 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 9 55 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 56 1 0 0 0 0 12 57 1 0 0 0 0 13 14 1 0 0 0 0 13 58 1 0 0 0 0 13 59 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 19 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 35 1 0 0 0 0 26 27 1 0 0 0 0 26 32 1 0 0 0 0 26 34 1 0 0 0 0 27 28 1 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 29 68 1 0 0 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