MDPI-ZINC04268184 MOE2007 3D CORINA 3.40 0006 02.08.2006 73 77 0 0 1 0 0 0 0 0999 V2000 -0.0640 1.4180 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -0.0880 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -0.7260 -0.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -0.7210 -0.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -2.1740 -0.2040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3680 -2.5300 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.6390 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -2.1170 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 -2.4980 -1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -2.2530 -0.2550 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7310 -1.1360 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 -2.7350 0.4700 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6030 -2.4520 1.9610 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8290 -3.4260 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -1.9470 2.5280 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9310 -1.0740 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 -1.5750 4.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 -0.6990 4.2790 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8320 -1.5640 3.8860 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7640 -2.5830 4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 -1.4930 2.3320 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0860 -1.8100 1.7580 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5380 -0.8640 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0040 -2.6760 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 -2.4200 2.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2120 -1.6480 3.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0430 -0.9140 4.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6150 -2.5840 5.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3590 -0.6740 3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -0.0760 2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 0.5480 1.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 0.4360 3.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 1.6710 3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -0.2390 5.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -2.9960 2.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -2.6040 2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -1.4270 2.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -3.6320 2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -4.2660 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 -3.9270 -2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 -1.5630 -2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 1.7470 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 1.8120 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 1.7830 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -2.2180 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -3.7160 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 -1.0260 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -2.5180 -3.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -2.4890 4.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -1.0320 4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8950 -2.5020 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 -3.7240 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8010 -3.2790 5.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8250 -1.9960 5.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5070 -3.1430 4.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2510 -1.2340 3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5630 -0.0880 4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0790 -0.0070 2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 1.9410 4.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 2.4000 2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 0.2880 5.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 -3.8870 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -3.2250 2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -4.5270 2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -4.6130 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 -4.7060 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -4.5660 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 -4.6020 -1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 -4.2240 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4230 -3.9750 -3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 -1.7150 -3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8400 -1.7920 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 -0.5250 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 34 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 30 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 M END