MDPI-ZINC04245647 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7490 -0.4560 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -0.5270 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -1.4160 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 -2.3710 -0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -1.1030 -1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -0.4390 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -0.1190 -2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -0.5980 -2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 0.0440 -1.1440 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0680 1.1230 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -0.4790 0.0830 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9200 -0.0920 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -2.0040 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 -2.5320 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9350 -1.5940 -0.3640 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6970 -0.2530 -1.0300 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2470 0.5530 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 -0.5430 -2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 -1.2110 -2.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2080 -2.1580 -1.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9510 -3.4960 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 -4.5630 -2.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2600 -2.2180 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -1.3850 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 0.2450 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -1.4430 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 0.4680 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 -0.9660 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -1.4070 -2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 0.9560 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -0.6380 -3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -0.3030 -3.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.6830 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -2.3810 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -2.3520 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 -2.6530 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -3.5050 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 0.3780 -3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -1.2300 -2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2810 -0.4730 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -1.7500 -2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5630 -5.5180 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0920 -2.5670 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -0.9320 1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -0.7270 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 -2.3460 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 3 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M END