MDPI-ZINC03846299 MOE2007 3D CORINA 3.40 0006 02.08.2006 86 87 0 0 1 0 0 0 0 0999 V2000 5.0850 -2.2620 -4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 -1.5480 -3.5980 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1750 -2.2820 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 -0.5590 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 0.1550 -1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.9110 -3.0740 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0300 1.6450 -3.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -0.0780 -4.1570 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4070 0.4610 -4.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 -0.7920 -4.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -1.0560 -3.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -1.6460 -4.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -1.4250 -5.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -2.5850 -3.8760 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4960 -2.0730 -3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -3.0330 -5.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -3.8960 -5.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 -3.8480 -4.4380 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6070 -4.7750 -4.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 -3.0490 -3.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 -1.8470 -3.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 -3.7500 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 -4.1680 -5.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 -3.7470 -6.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 -4.9210 -5.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8810 -5.2990 -6.4030 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2540 -5.4440 -7.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9010 -4.1930 -6.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7810 -3.9910 -5.4440 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.5080 -3.2030 -5.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5160 -5.2940 -5.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4960 -6.4000 -4.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6160 -6.6020 -6.0810 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2400 -6.8860 -6.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5960 -7.7080 -5.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3310 -9.0110 -5.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 -7.9110 -7.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9060 -3.5920 -4.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -3.7900 -3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -4.1210 -3.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -4.5820 -2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 1.6250 -2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 2.5380 -1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 2.4630 -3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5920 -2.8000 -3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 -2.9660 -4.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7650 -1.5270 -4.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 -1.0980 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 0.1750 -2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -0.5800 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 0.8590 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 -0.0570 -5.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -1.4960 -5.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -2.1570 -5.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -4.7720 -5.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -4.2150 -6.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -3.3150 -6.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0480 -4.8130 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 -3.3270 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3650 -3.6170 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3780 -3.2650 -6.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5250 -4.4770 -7.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1430 -5.1490 -4.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1400 -5.5780 -5.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8730 -6.1160 -3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0200 -7.3280 -4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9730 -7.4240 -4.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9550 -9.2960 -6.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 -9.7990 -5.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9580 -8.8670 -4.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 -6.9830 -7.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 -8.6990 -6.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3400 -8.1950 -7.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2340 -2.7870 -4.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5400 -3.2520 -3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3220 -4.4520 -3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -5.3720 -2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -5.0240 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -3.9210 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 0.8860 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 3.0460 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 1.9410 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 3.2760 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 1.8040 -4.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 3.0440 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 3.1370 -4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 48 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 50 1 0 0 0 0 5 51 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 42 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 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