1 12121 PHOTOSYNTHETIC REACTION CENTER 04-FEB-88 1PRC 2 1 N 97.820000 50.629000 -4.358000 20 2 5 6 7 3 2 CH 98.956000 51.096000 -3.577000 29 1 3 8 4 3 C 98.592000 51.794000 -2.254000 1 2 4 11 5 4 O 99.351000 51.720000 -1.273000 2 3 6 5 H 98.151110 50.186888 -5.203578 21 1 7 6 H 97.230236 51.413198 -4.597399 21 1 8 7 H 97.289254 49.962398 -3.815735 21 1 9 8 CH2 99.853000 52.012000 -4.401000 31 2 9 10 9 S 101.440000 51.222000 -4.685000 32 8 10 11 10 H 101.970530 52.225465 -5.397177 33 9 12 11 N 97.442000 52.497000 -2.211000 3 3 12 15 13 12 CH 97.088000 53.201000 -0.999000 6 11 13 16 14 13 C 95.669000 52.865000 -0.553000 1 12 14 28 15 14 O 94.848000 52.398000 -1.321000 2 13 16 15 H 96.721512 52.299256 -2.890628 4 11 17 16 CH2 97.490000 54.715000 -1.051000 66 12 17 18 17 C 99.016000 55.046000 -0.885000 11 16 18 19 19 18 C 99.887000 55.208000 -1.979000 11 17 20 23 20 19 C 99.584000 55.256000 0.374000 11 17 21 24 21 20 C 101.231000 55.551000 -1.819000 11 18 22 25 22 21 C 100.926000 55.607000 0.559000 11 19 22 26 23 22 C 101.770000 55.752000 -0.548000 11 20 21 27 24 23 H 99.509503 55.104007 -2.996242 75 18 25 24 H 98.964941 55.191478 1.268820 75 19 26 25 H 101.871743 55.666682 -2.693166 75 20 27 26 H 101.315926 55.758564 1.565522 75 21 28 27 H 102.815323 56.025382 -0.404256 75 22 29 28 N 95.334000 52.945000 0.711000 3 13 29 32 30 29 CH 93.950000 52.640000 1.018000 6 28 30 33 31 30 C 93.386000 54.031000 1.232000 1 29 31 38 32 31 O 94.149000 54.841000 1.689000 2 30 33 32 H 95.840999 53.578150 1.312808 4 28 34 33 CH2 93.768000 51.770000 2.278000 9 29 34 35 34 CH2 94.881000 50.736000 2.500000 16 33 35 36 35 C 94.637000 49.983000 3.780000 17 34 36 37 37 36 O 94.360000 48.794000 3.827000 18 35 38 37 O 94.705000 50.772000 4.827000 18 35 39 38 N 92.131000 54.373000 0.902000 3 30 39 44 40 39 CH 91.666000 55.783000 1.093000 14 38 40 42 41 40 C 90.886000 56.099000 2.363000 1 39 41 45 42 41 O 90.192000 55.218000 2.868000 2 40 43 42 CH2 90.702000 56.071000 -0.068000 9 39 43 44 43 CH2 90.427000 54.723000 -0.754000 9 42 44 45 44 CH2 91.452000 53.712000 -0.254000 15 38 43 46 45 N 90.929000 57.383000 2.843000 3 40 46 51 47 46 CH 90.173000 57.764000 4.019000 14 45 47 49 48 47 C 88.655000 57.641000 3.812000 1 46 48 52 49 48 O 88.149000 57.416000 2.721000 2 47 50 49 CH2 90.430000 59.242000 4.265000 9 46 50 51 50 CH2 91.150000 59.787000 3.034000 9 49 51 52 51 CH2 91.443000 58.604000 2.149000 15 45 50 53 52 N 87.910000 57.803000 4.896000 3 47 53 58 54 53 CH 88.505000 58.006000 6.206000 14 52 54 56 55 54 C 89.077000 56.687000 6.781000 1 53 55 59 56 55 O 89.114000 55.620000 6.147000 2 54 57 56 CH2 87.340000 58.449000 7.089000 9 53 57 58 57 CH2 86.039000 57.979000 6.432000 9 56 58 59 58 CH2 86.423000 57.762000 4.957000 15 52 57 60 59 N 89.535000 56.792000 8.016000 3 54 60 63 61 60 CH 90.101000 55.709000 8.800000 6 59 61 64 62 61 C 89.481000 55.840000 10.167000 1 60 62 65 63 62 O 89.275000 56.959000 10.649000 2 61 64 63 H 89.487325 57.702190 8.451179 4 59 65 64 CH3 91.606000 55.824000 8.987000 7 60 66 65 N 89.150000 54.689000 10.728000 3 61 66 69 67 66 CH 88.565000 54.600000 12.038000 6 65 67 70 68 67 C 89.715000 54.509000 13.006000 1 66 68 74 69 68 O 90.604000 53.642000 12.860000 2 67 70 69 H 89.315416 53.835616 10.213731 4 65 71 70 CH 87.735000 53.311000 12.230000 25 66 71 72 72 71 O 86.785000 53.109000 11.214000 23 70 73 73 72 CH3 87.016000 53.356000 13.565000 7 70 74 73 H 86.334772 52.308947 11.416015 24 71 75 74 N 89.701000 55.374000 14.011000 3 67 75 78 76 75 CH 90.776000 55.292000 14.980000 6 74 76 79 77 76 C 90.183000 55.145000 16.317000 1 75 77 83 78 77 O 89.039000 55.559000 16.543000 2 76 79 78 H 88.822668 55.788620 14.287990 4 74 80 79 CH 91.731000 56.481000 14.999000 25 75 80 81 81 80 O 90.982000 57.679000 14.964000 23 79 82 82 81 CH3 92.647000 56.383000 13.793000 7 79 83 82 H 91.599365 58.387728 14.976848 24 80 84 83 N 90.973000 54.517000 17.172000 3 76 84 87 85 84 CH 90.522000 54.320000 18.549000 6 83 85 88 86 85 C 91.657000 54.695000 19.421000 1 84 86 92 87 86 O 92.698000 54.877000 18.851000 2 85 88 87 H 91.958571 54.442515 16.964149 4 83 89 88 CH 89.979000 52.948000 18.938000 25 84 89 90 90 89 O 91.078000 52.134000 19.234000 23 88 91 91 90 CH3 89.124000 52.408000 17.803000 7 88 92 91 H 90.737296 51.291055 19.472673 24 89 93 92 N 91.390000 54.927000 20.714000 3 85 93 96 94 93 CH 92.366000 55.330000 21.720000 6 92 94 97 95 94 C 92.587000 54.264000 22.774000 1 93 95 104 96 95 O 91.641000 53.774000 23.339000 2 94 97 96 H 90.433185 54.813230 21.016757 4 92 98 97 CH2 91.907000 56.653000 22.359000 9 93 98 99 98 CH2 92.961000 57.299000 23.280000 9 97 99 100 99 C 92.509000 58.596000 23.911000 1 98 100 101 101 100 O 91.631000 59.325000 23.423000 2 99 102 101 N 93.141000 58.917000 25.003000 12 99 102 103 103 102 H 93.870634 58.324797 25.373174 13 101 104 103 H 92.907557 59.767206 25.495701 13 101 105 104 N 93.821000 53.887000 23.055000 3 94 105 108 106 105 CH 94.105000 52.798000 24.012000 6 104 106 109 107 106 C 95.045000 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127 126 C 96.438000 60.502000 30.189000 11 124 128 131 128 127 C 98.271000 62.502000 29.474000 11 125 129 132 129 128 C 96.330000 61.762000 30.768000 11 126 129 133 130 129 C 97.228000 62.758000 30.373000 11 127 128 134 131 130 H 99.210251 60.993207 28.268790 75 125 132 131 H 95.747156 59.714421 30.489921 75 126 133 132 H 98.997594 63.269132 29.206287 75 127 134 133 H 95.530693 61.967962 31.479890 75 128 135 134 H 97.164739 63.753909 30.811479 75 129 136 135 N 95.860000 60.518000 26.604000 3 120 136 139 137 136 CH 95.809000 61.567000 25.553000 6 135 137 140 138 137 C 97.175000 62.032000 25.095000 1 136 138 152 139 138 O 97.976000 62.539000 25.876000 2 137 140 139 H 95.278449 60.644767 27.419983 4 135 141 140 CH2 95.086000 62.851000 26.031000 9 136 141 142 141 CH2 94.917000 63.030000 27.562000 57 140 142 143 142 CH2 93.920000 64.156000 27.886000 56 141 143 144 143 N 94.636000 65.410000 27.747000 54 142 144 147 145 144 C 95.112000 65.968000 28.820000 53 143 145 146 146 145 N 94.893000 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660 663 660 659 C 76.136000 11.127000 19.576000 11 657 661 664 661 660 C 77.464000 11.557000 21.550000 11 658 661 665 662 661 C 77.335000 11.024000 20.267000 11 659 660 666 663 662 H 74.098729 11.807243 19.640397 75 657 664 663 H 76.450776 12.546271 23.160848 75 658 665 664 H 76.040463 10.710735 18.573156 75 659 666 665 H 78.399993 11.469446 22.101680 75 660 667 666 H 78.188149 10.543414 19.788174 75 661 668 667 N 72.561000 14.205000 19.677000 3 652 668 671 669 668 CH 72.394000 14.319000 18.256000 6 667 669 672 670 669 C 72.562000 15.749000 17.835000 1 668 670 676 671 670 O 73.272000 16.070000 16.886000 2 669 672 671 H 71.741635 14.115270 20.260686 4 667 673 672 CH2 71.068000 13.692000 17.852000 9 668 673 674 673 CH 71.256000 12.179000 17.792000 8 672 674 675 675 674 CH3 69.935000 11.410000 17.808000 7 673 676 675 CH3 72.070000 11.842000 16.544000 7 673 677 676 N 71.948000 16.619000 18.612000 3 669 677 680 678 677 CH 72.117000 18.003000 18.357000 6 676 678 681 679 678 C 73.590000 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83.660000 20.947000 10.768000 6 775 777 780 778 777 C 83.636000 20.472000 9.327000 1 776 778 783 779 778 O 84.519000 20.848000 8.558000 2 777 780 779 H 81.863700 21.116958 11.919609 4 775 781 780 CH 84.142000 19.857000 11.686000 8 776 781 782 782 781 CH3 85.497000 19.342000 11.260000 7 780 783 782 CH3 84.186000 20.439000 13.081000 7 780 784 783 N 82.664000 19.619000 8.985000 3 777 784 787 785 784 CH 82.598000 19.009000 7.651000 6 783 785 788 786 785 C 81.211000 19.002000 7.021000 1 784 786 791 787 786 O 80.630000 17.958000 6.798000 2 785 788 787 H 81.947347 19.396687 9.661081 4 783 789 788 CH2 83.049000 17.543000 7.740000 22 784 789 790 789 O 82.091000 16.770000 8.468000 23 788 790 791 790 H 82.413719 15.887471 8.492407 24 789 792 791 N 80.701000 20.155000 6.711000 3 785 792 797 793 792 CH 79.365000 20.311000 6.146000 14 791 793 795 794 793 C 79.153000 19.770000 4.730000 1 792 794 798 795 794 O 78.062000 19.305000 4.353000 2 793 796 795 CH2 79.073000 21.808000 6.182000 9 792 796 797 796 CH2 80.313000 22.484000 6.733000 9 795 797 798 797 CH2 81.223000 21.411000 7.300000 15 791 796 799 798 N 80.195000 19.835000 3.925000 3 793 799 802 800 799 CH 80.062000 19.332000 2.582000 6 798 800 803 801 800 C 80.210000 17.848000 2.489000 1 799 801 810 802 801 O 79.888000 17.275000 1.478000 2 800 803 802 H 81.118020 19.924725 4.325105 4 798 804 803 CH2 81.153000 19.963000 1.747000 9 799 804 805 804 CH2 80.809000 21.437000 1.810000 9 803 805 806 805 C 81.404000 22.196000 0.684000 1 804 806 807 807 806 O 80.887000 22.106000 -0.449000 2 805 808 807 N 82.485000 22.911000 1.023000 12 805 808 809 809 808 H 82.832803 22.907409 1.971220 13 807 810 809 H 82.967349 23.465125 0.329902 13 807 811 810 N 80.735000 17.286000 3.551000 3 800 811 814 812 811 CH 81.059000 15.890000 3.686000 6 810 812 815 813 812 C 79.930000 15.168000 4.410000 1 811 813 820 814 813 O 79.556000 14.049000 4.102000 2 812 815 814 H 80.928588 17.883658 4.341840 4 810 816 815 CH2 82.434000 15.761000 4.433000 9 811 816 817 816 CH2 83.675000 16.335000 3.648000 16 815 817 818 817 C 83.975000 17.841000 3.695000 17 816 818 819 819 818 O 84.732000 18.384000 2.892000 18 817 820 819 O 83.381000 18.500000 4.667000 18 817 821 820 N 79.351000 15.811000 5.402000 3 812 821 824 822 821 CH2 78.313000 15.144000 6.130000 5 820 822 823 822 C 78.844000 14.204000 7.196000 1 821 823 825 824 823 O 80.029000 14.143000 7.444000 2 822 825 824 H 79.392476 16.819950 5.421976 4 820 826 825 N 77.933000 13.506000 7.874000 3 822 826 829 827 826 CH 78.261000 12.587000 8.961000 6 825 827 830 828 827 C 79.257000 11.543000 8.581000 1 826 828 833 829 828 O 80.000000 11.110000 9.423000 2 827 830 829 H 76.961477 13.618880 7.622006 4 825 831 830 CH2 77.046000 11.806000 9.427000 31 826 831 832 831 S 75.574000 12.772000 9.656000 32 830 832 833 832 H 74.796542 11.752432 10.045408 33 831 834 833 N 79.227000 11.141000 7.310000 3 827 834 837 835 834 CH 80.070000 10.102000 6.721000 6 833 835 838 836 835 C 81.530000 10.485000 6.763000 1 834 836 842 837 836 O 82.427000 9.731000 6.376000 2 835 838 837 H 78.562484 11.594888 6.699668 4 833 839 838 CH 79.662000 9.921000 5.238000 25 834 839 840 840 839 O 78.364000 9.419000 5.206000 23 838 841 841 840 CH3 80.527000 8.917000 4.495000 7 838 842 841 H 78.133254 9.315585 4.300648 24 839 843 842 N 81.794000 11.681000 7.225000 3 835 843 846 844 843 CH 83.170000 12.107000 7.191000 6 842 844 847 845 844 C 84.027000 11.381000 8.176000 1 843 845 860 846 845 O 85.151000 10.927000 7.903000 2 844 847 846 H 81.171020 12.091452 7.905826 4 842 848 847 CH2 83.323000 13.611000 7.310000 66 843 848 849 848 C 84.724000 13.978000 7.004000 11 847 849 850 850 849 C 85.532000 14.468000 8.036000 11 848 851 855 851 850 C 85.267000 13.776000 5.737000 11 848 852 856 852 851 C 86.864000 14.787000 7.807000 11 849 853 857 853 852 C 86.590000 14.143000 5.485000 11 850 853 858 854 853 C 87.391000 14.656000 6.515000 26 851 852 854 855 854 O 88.721000 15.042000 6.278000 76 853 859 856 855 H 85.126676 14.573218 9.042351 75 849 857 856 H 84.657282 13.339267 4.946046 75 850 858 857 H 87.480950 15.167717 8.620958 75 851 859 858 H 87.019784 13.987158 4.495506 75 852 860 859 H 88.916853 14.883136 5.341355 24 854 861 860 N 83.424000 11.293000 9.320000 3 844 861 864 862 861 CH 83.984000 10.598000 10.463000 6 860 862 865 863 862 C 83.317000 9.225000 10.632000 1 861 863 868 864 863 O 83.919000 8.325000 11.198000 2 862 865 864 H 82.519090 11.730224 9.420362 4 860 866 865 CH2 83.632000 11.380000 11.747000 31 861 866 867 866 S 83.921000 13.145000 11.539000 32 865 867 868 867 H 83.533780 13.496679 12.772687 33 866 869 868 N 82.067000 9.042000 10.139000 3 862 869 872 870 869 CH 81.373000 7.802000 10.421000 6 868 870 873 871 870 C 81.305000 6.763000 9.349000 1 869 871 883 872 871 O 81.403000 7.075000 8.156000 2 870 873 872 H 81.758664 9.610158 9.362968 4 868 874 873 CH2 79.932000 8.098000 10.836000 66 869 874 875 874 C 79.851000 8.640000 12.197000 69 873 875 876 876 875 N 79.927000 7.816000 13.300000 46 874 877 879 877 876 C 79.739000 9.923000 12.606000 49 874 878 880 878 877 C 79.827000 8.612000 14.355000 48 875 878 881 879 878 N 79.756000 9.864000 13.950000 46 876 877 882 880 879 H 79.997567 6.798662 13.321077 47 875 881 880 H 79.684353 10.830822 12.005189 75 876 882 881 H 79.855696 8.274404 15.391005 75 877 883 882 H 79.673285 10.684525 14.550248 47 878 884 883 N 81.060000 5.517000 9.807000 3 870 884 887 885 884 CH 80.815000 4.399000 8.884000 6 883 885 888 886 885 C 79.325000 4.442000 8.721000 1 884 886 892 887 886 O 78.652000 4.502000 9.755000 2 885 888 887 H 80.896400 5.381623 10.794425 4 883 889 888 CH2 81.171000 2.992000 9.452000 16 884 889 890 889 C 81.052000 1.858000 8.456000 17 888 890 891 891 890 O 81.522000 0.746000 8.644000 18 889 892 891 O 80.426000 2.193000 7.352000 18 889 893 892 N 78.845000 4.469000 7.475000 3 885 893 896 894 893 CH 77.418000 4.532000 7.139000 6 892 894 897 895 894 C 76.597000 3.584000 7.996000 1 893 895 902 896 895 O 75.520000 3.954000 8.449000 2 894 897 896 H 79.508110 4.444429 6.713566 4 892 898 897 CH2 77.175000 4.237000 5.642000 9 893 898 899 898 CH2 76.054000 5.057000 4.985000 16 897 899 900 899 C 75.944000 4.766000 3.514000 17 898 900 901 901 900 O 74.888000 4.745000 2.909000 18 899 902 901 O 77.105000 4.520000 2.958000 18 899 903 902 N 77.126000 2.372000 8.242000 3 894 903 906 904 903 CH 76.437000 1.353000 9.041000 6 902 904 907 905 904 C 76.905000 1.181000 10.471000 1 903 905 913 906 905 O 76.111000 0.855000 11.347000 2 904 907 906 H 78.035594 2.154529 7.860629 4 902 908 907 CH2 76.404000 -0.032000 8.390000 9 903 908 909 908 C 76.361000 0.049000 6.888000 1 907 909 910 910 909 O 75.304000 0.336000 6.296000 2 908 911 910 N 77.528000 -0.174000 6.285000 12 908 911 912 912 911 H 78.358517 -0.378837 6.822014 13 910 913 912 H 77.595768 -0.140528 5.277832 13 910 914 913 N 78.187000 1.335000 10.724000 3 904 914 917 915 914 CH 78.586000 1.214000 12.100000 6 913 915 918 916 915 C 78.956000 2.572000 12.702000 1 914 916 924 917 916 O 80.131000 3.009000 12.690000 2 915 918 917 H 78.744631 1.900955 10.100428 4 913 919 918 CH2 79.498000 0.022000 12.460000 9 914 919 920 919 C 79.525000 -0.296000 13.969000 1 918 920 921 921 920 O 78.608000 0.087000 14.769000 2 919 922 921 N 80.599000 -1.008000 14.366000 12 919 922 923 923 922 H 81.306611 -1.292149 13.703697 13 921 924 923 H 80.708594 -1.266760 15.336120 13 921 925 924 N 77.908000 3.245000 13.193000 3 915 925 928 926 925 CH 78.059000 4.567000 13.786000 6 924 926 929 927 926 C 78.952000 4.531000 15.007000 1 925 927 933 928 927 O 79.185000 5.543000 15.660000 2 926 929 928 H 77.011886 2.782503 13.249363 4 924 930 929 CH2 76.715000 5.213000 14.192000 9 925 930 931 930 CH 75.719000 5.536000 13.073000 8 929 931 932 932 931 CH3 74.629000 6.436000 13.637000 7 930 933 932 CH3 76.383000 6.219000 11.887000 7 930 934 933 N 79.434000 3.347000 15.349000 3 926 934 937 935 934 CH 80.325000 3.249000 16.494000 6 933 935 938 936 935 C 81.738000 2.854000 16.069000 1 934 936 939 937 936 O 82.638000 2.708000 16.881000 2 935 938 937 H 79.426684 2.600311 14.668925 4 933 939 938 CH3 79.779000 2.358000 17.582000 7 934 940 939 N 81.912000 2.726000 14.756000 3 935 940 943 941 940 CH 83.170000 2.384000 14.126000 6 939 941 944 942 941 C 84.179000 3.544000 14.039000 1 940 942 947 943 942 O 83.916000 4.624000 13.458000 2 941 944 943 H 81.112164 2.877725 14.158219 4 939 945 944 CH2 82.931000 1.706000 12.786000 22 940 945 946 945 O 84.160000 1.549000 12.092000 23 944 946 947 946 H 83.960869 1.128150 11.275402 24 945 948 947 N 85.352000 3.254000 14.625000 3 941 948 951 949 948 CH 86.516000 4.108000 14.727000 6 947 949 952 950 949 C 87.430000 3.943000 13.517000 1 948 950 957 951 950 O 88.586000 4.360000 13.520000 2 949 952 951 H 85.430722 2.337119 15.041211 4 947 953 952 CH2 87.312000 3.701000 15.989000 9 948 953 954 953 CH2 86.575000 3.854000 17.346000 16 952 954 955 954 C 87.545000 3.950000 18.509000 17 953 955 956 956 955 O 87.213000 3.871000 19.696000 18 954 957 956 O 88.801000 4.065000 18.095000 18 954 958 957 N 86.927000 3.277000 12.480000 3 949 958 961 959 958 CH 87.711000 2.972000 11.269000 6 957 959 962 960 959 C 88.415000 4.143000 10.618000 1 958 960 963 961 960 O 89.596000 4.038000 10.286000 2 959 962 961 H 85.966733 2.967167 12.524609 4 957 963 962 CH3 86.887000 2.252000 10.210000 7 958 964 963 N 87.618000 5.197000 10.421000 3 959 964 967 965 964 CH 87.983000 6.441000 9.764000 6 963 965 968 966 965 C 88.743000 7.380000 10.686000 1 964 966 976 967 966 O 88.278000 7.763000 11.751000 2 965 968 967 H 86.670115 5.122077 10.761590 4 963 969 968 CH2 86.718000 7.104000 9.210000 9 964 969 970 969 CH2 86.167000 6.368000 7.981000 9 968 970 971 970 CH2 84.703000 6.622000 7.709000 9 969 971 972 971 CH2 84.430000 6.979000 6.264000 19 970 972 973 972 N 82.989000 7.199000 5.993000 20 971 973 974 975 974 973 H 82.839405 7.441760 4.992856 21 972 975 974 H 82.622923 7.976810 6.578320 21 972 976 975 H 82.442736 6.340558 6.208112 21 972 977 976 N 89.921000 7.790000 10.294000 3 965 977 980 978 977 CH 90.623000 8.636000 11.214000 6 976 978 981 979 978 C 89.855000 9.862000 11.774000 1 977 979 994 980 979 O 89.879000 10.156000 12.997000 2 978 981 980 H 90.102090 7.885573 9.304974 4 976 982 981 CH2 92.020000 8.916000 10.741000 66 977 982 983 982 C 92.030000 10.041000 9.750000 11 981 983 984 984 983 C 92.046000 11.359000 10.207000 11 982 985 989 985 984 C 92.029000 9.816000 8.371000 11 982 986 990 986 985 C 92.087000 12.441000 9.329000 11 983 987 991 987 986 C 92.025000 10.889000 7.470000 11 984 987 992 988 987 C 92.019000 12.200000 7.956000 26 985 986 988 989 988 O 91.984000 13.273000 7.109000 76 987 993 990 989 H 92.051142 11.564656 11.277411 75 983 991 990 H 92.020753 8.796622 7.985122 75 984 992 991 H 92.098541 13.458910 9.718649 75 985 993 992 H 92.024261 10.699345 6.396627 75 986 994 993 H 91.966570 12.936442 6.199426 24 988 995 994 N 89.136000 10.602000 10.930000 3 978 995 1000 996 995 CH 88.451000 11.749000 11.473000 14 994 996 998 997 996 C 87.659000 11.444000 12.739000 1 995 997 1001 998 997 O 87.385000 12.309000 13.546000 2 996 999 998 CH2 87.632000 12.321000 10.351000 9 995 999 1000 999 CH2 88.312000 11.863000 9.078000 9 998 1000 1001 1000 CH2 89.147000 10.650000 9.443000 15 994 999 1002 1001 N 87.329000 10.198000 12.983000 3 996 1002 1005 1003 1002 CH 86.593000 9.940000 14.210000 6 1001 1003 1006 1004 1003 C 87.454000 10.130000 15.472000 1 1002 1004 1019 1005 1004 O 87.112000 10.860000 16.407000 2 1003 1006 1005 H 87.883663 9.456568 12.579606 4 1001 1007 1006 CH2 85.795000 8.598000 14.079000 66 1002 1007 1008 1007 C 84.982000 8.099000 15.264000 11 1006 1008 1009 1009 1008 C 83.593000 7.988000 15.144000 11 1007 1010 1014 1010 1009 C 85.556000 7.663000 16.466000 11 1007 1011 1015 1011 1010 C 82.805000 7.551000 16.214000 11 1008 1012 1016 1012 1011 C 84.784000 7.212000 17.544000 11 1009 1012 1017 1013 1012 C 83.391000 7.132000 17.414000 26 1010 1011 1013 1014 1013 O 82.588000 6.703000 18.462000 76 1012 1018 1015 1014 H 83.103521 8.257835 14.208212 75 1008 1016 1015 H 86.639243 7.670571 16.586941 75 1009 1017 1016 H 81.724055 7.471992 16.098176 75 1010 1018 1017 H 85.270122 6.881303 18.461837 75 1011 1019 1018 H 83.163125 6.497391 19.215562 24 1013 1020 1019 N 88.619000 9.477000 15.534000 3 1003 1020 1023 1021 1020 CH 89.424000 9.611000 16.741000 6 1019 1021 1024 1022 1021 C 89.899000 11.029000 16.965000 1 1020 1022 1027 1023 1022 O 89.955000 11.505000 18.083000 2 1021 1024 1023 H 89.068222 9.194322 14.674702 4 1019 1025 1024 CH 90.553000 8.613000 16.798000 8 1020 1025 1026 1026 1025 CH3 89.986000 7.326000 16.191000 7 1024 1027 1026 CH3 91.711000 9.121000 15.936000 7 1024 1028 1027 N 90.244000 11.701000 15.867000 3 1021 1028 1031 1029 1028 CH 90.687000 13.071000 15.949000 6 1027 1029 1032 1030 1029 C 89.580000 13.904000 16.580000 1 1028 1030 1035 1031 1030 O 89.769000 14.553000 17.608000 2 1029 1032 1031 H 90.011145 11.314936 14.963212 4 1027 1033 1032 CH 91.042000 13.595000 14.586000 8 1028 1033 1034 1034 1033 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1668 1669 1669 1668 CH3 106.575000 22.576000 1.674000 7 1667 1670 1669 CH3 107.854000 24.038000 3.232000 7 1667 1671 1670 N 108.785000 23.410000 -0.996000 3 1664 1671 1674 1672 1671 CH 109.826000 22.664000 -1.716000 6 1670 1672 1675 1673 1672 C 110.778000 23.599000 -2.450000 1 1671 1673 1680 1674 1673 O 111.911000 23.250000 -2.717000 2 1672 1675 1674 H 107.909212 23.572416 -1.472148 4 1670 1676 1675 CH2 109.249000 21.687000 -2.767000 9 1671 1676 1677 1676 CH2 108.511000 20.490000 -2.176000 16 1675 1677 1678 1677 C 107.042000 20.745000 -1.991000 17 1676 1678 1679 1679 1678 O 106.388000 20.176000 -1.124000 18 1677 1680 1679 O 106.548000 21.606000 -2.864000 18 1677 1681 1680 N 110.304000 24.777000 -2.822000 3 1672 1681 1684 1682 1681 CH 111.146000 25.702000 -3.543000 6 1680 1682 1685 1683 1682 C 112.074000 26.477000 -2.623000 1 1681 1683 1689 1684 1683 O 111.656000 27.358000 -1.878000 2 1682 1685 1684 H 109.451823 25.117351 -2.400034 4 1680 1686 1685 CH 110.299000 26.598000 -4.447000 25 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20.927963 -0.434315 52 1699 1705 1704 H 116.262668 20.021618 0.696665 52 1700 1706 1705 H 117.926587 19.565201 0.489279 52 1700 1707 1706 N 114.216000 28.851000 -2.918000 3 1691 1707 1710 1708 1707 CH 114.358000 30.302000 -2.998000 6 1706 1708 1711 1709 1708 C 113.269000 31.194000 -2.381000 1 1707 1709 1714 1710 1709 O 113.490000 32.370000 -1.984000 2 1708 1711 1710 H 113.787497 28.357734 -3.688178 4 1706 1712 1711 CH2 114.657000 30.738000 -4.412000 22 1707 1712 1713 1712 O 113.540000 30.485000 -5.246000 23 1711 1713 1714 1713 H 113.773738 30.771586 -6.110196 24 1712 1715 1714 N 112.072000 30.650000 -2.287000 3 1708 1715 1718 1716 1715 CH2 110.973000 31.446000 -1.762000 5 1714 1716 1717 1716 C 110.888000 31.474000 -0.244000 1 1715 1717 1719 1718 1717 O 109.938000 32.076000 0.302000 2 1716 1719 1718 H 111.990104 29.643328 -2.289187 4 1714 1720 1719 N 111.869000 30.794000 0.397000 3 1716 1720 1723 1721 1720 CH 111.962000 30.717000 1.826000 6 1719 1721 1724 1722 1721 C 111.841000 32.083000 2.462000 1 1720 1722 1737 1723 1722 O 111.045000 32.266000 3.379000 2 1721 1724 1723 H 112.567209 30.319280 -0.157297 4 1719 1725 1724 CH2 113.311000 30.160000 2.278000 66 1720 1725 1726 1725 C 113.317000 29.961000 3.782000 11 1724 1726 1727 1727 1726 C 114.103000 30.721000 4.628000 11 1725 1728 1732 1728 1727 C 112.523000 28.966000 4.341000 11 1725 1729 1733 1729 1728 C 114.094000 30.504000 6.003000 11 1726 1730 1734 1730 1729 C 112.506000 28.719000 5.720000 11 1727 1730 1735 1731 1730 C 113.285000 29.525000 6.549000 26 1728 1729 1731 1732 1731 O 113.234000 29.305000 7.936000 76 1730 1736 1733 1732 H 114.749925 31.497562 4.219908 75 1726 1734 1733 H 111.904267 28.338063 3.699934 75 1727 1735 1734 H 114.720309 31.112926 6.654956 75 1728 1736 1735 H 111.871334 27.930627 6.124680 75 1729 1737 1736 H 112.618833 28.573403 8.101031 24 1731 1738 1737 N 112.675000 33.024000 1.997000 3 1721 1738 1741 1739 1738 CH 112.663000 34.364000 2.583000 6 1737 1739 1742 1740 1739 C 111.292000 34.991000 2.434000 1 1738 1740 1745 1741 1740 O 110.748000 35.610000 3.354000 2 1739 1742 1741 H 113.117641 32.885903 1.099727 4 1737 1743 1742 CH 113.728000 35.268000 1.980000 8 1738 1743 1744 1744 1743 CH3 113.578000 36.698000 2.470000 7 1742 1745 1744 CH3 115.104000 34.670000 2.217000 7 1742 1746 1745 N 110.685000 34.788000 1.288000 3 1739 1746 1749 1747 1746 CH 109.362000 35.361000 1.142000 6 1745 1747 1750 1748 1747 C 108.420000 34.678000 2.124000 1 1746 1748 1753 1749 1748 O 107.556000 35.242000 2.780000 2 1747 1750 1749 H 110.929076 33.974083 0.742046 4 1745 1751 1750 CH 108.841000 35.203000 -0.282000 8 1746 1751 1752 1752 1751 CH3 107.398000 35.663000 -0.288000 7 1750 1753 1752 CH3 109.686000 36.008000 -1.258000 7 1750 1754 1753 N 108.571000 33.424000 2.224000 3 1747 1754 1757 1755 1754 CH 107.649000 32.666000 3.044000 6 1753 1755 1758 1756 1755 C 107.710000 33.106000 4.451000 1 1754 1756 1770 1757 1756 O 106.705000 32.980000 5.143000 2 1755 1758 1757 H 109.466153 33.018462 1.990892 4 1753 1759 1758 CH2 108.033000 31.207000 3.124000 9 1754 1759 1760 1759 CH2 107.588000 30.357000 1.969000 57 1758 1760 1761 1760 CH2 107.699000 28.887000 2.332000 56 1759 1761 1762 1761 N 109.021000 28.328000 2.026000 54 1760 1762 1765 1763 1762 C 109.488000 28.123000 0.807000 53 1761 1763 1764 1764 1763 N 108.810000 28.471000 -0.265000 51 1762 1766 1767 1765 1764 N 110.670000 27.557000 0.667000 51 1762 1768 1769 1766 1765 H 109.608231 28.085938 2.811280 55 1761 1767 1766 H 107.902137 28.910631 -0.213923 52 1763 1768 1767 H 109.211825 28.292134 -1.174200 52 1763 1769 1768 H 111.232947 27.273735 1.456273 52 1764 1770 1769 H 111.027128 27.400222 -0.264655 52 1764 1771 1770 N 108.936000 33.493000 4.833000 3 1755 1771 1774 1772 1771 CH 109.260000 33.920000 6.180000 6 1770 1772 1775 1773 1772 C 108.708000 35.323000 6.449000 1 1771 1773 1779 1774 1773 O 107.960000 35.538000 7.411000 2 1772 1775 1774 H 109.674496 33.486599 4.144027 4 1770 1776 1775 CH2 110.775000 33.820000 6.451000 9 1771 1776 1777 1776 CH 111.096000 33.851000 7.965000 8 1775 1777 1778 1778 1777 CH3 110.193000 32.912000 8.722000 7 1776 1779 1778 CH3 112.485000 33.350000 8.235000 7 1776 1780 1779 N 109.064000 36.287000 5.580000 3 1772 1780 1783 1781 1780 CH 108.518000 37.660000 5.687000 6 1779 1781 1784 1782 1781 C 106.989000 37.635000 5.803000 1 1780 1782 1785 1783 1782 O 106.381000 38.344000 6.616000 2 1781 1784 1783 H 109.597515 36.034704 4.760361 4 1779 1785 1784 CH3 108.963000 38.542000 4.503000 7 1780 1786 1785 N 106.332000 36.784000 4.993000 3 1781 1786 1789 1787 1786 CH 104.881000 36.748000 5.076000 6 1785 1787 1790 1788 1787 C 104.281000 36.377000 6.424000 1 1786 1788 1798 1789 1788 O 103.120000 36.705000 6.757000 2 1787 1790 1789 H 106.821602 35.980114 4.626724 4 1785 1791 1790 CH2 104.156000 36.263000 3.839000 9 1786 1791 1792 1791 CH2 104.252000 37.233000 2.650000 9 1790 1792 1793 1792 CH2 103.350000 36.740000 1.548000 9 1791 1793 1794 1793 CH2 103.689000 37.296000 0.170000 19 1792 1794 1795 1794 N 102.642000 36.981000 -0.853000 20 1793 1795 1796 1797 1796 1795 H 102.906676 37.375109 -1.778324 21 1794 1797 1796 H 101.725871 37.385964 -0.573160 21 1794 1798 1797 H 102.529420 35.952060 -0.954036 21 1794 1799 1798 N 105.108000 35.713000 7.205000 3 1787 1799 1802 1800 1799 CH 104.747000 35.285000 8.544000 6 1798 1800 1803 1801 1800 C 104.927000 36.369000 9.613000 1 1799 1801 1816 1802 1801 O 104.220000 36.420000 10.650000 2 1800 1803 1802 H 106.030631 35.492783 6.858076 4 1798 1804 1803 CH2 105.449000 33.977000 8.945000 66 1799 1804 1805 1804 C 104.732000 33.339000 10.107000 11 1803 1805 1806 1806 1805 C 103.378000 32.986000 9.982000 11 1804 1807 1811 1807 1806 C 105.371000 33.144000 11.340000 11 1804 1808 1812 1808 1807 C 102.682000 32.393000 11.030000 11 1805 1809 1813 1809 1808 C 104.699000 32.526000 12.398000 11 1806 1809 1814 1810 1809 C 103.347000 32.185000 12.243000 26 1807 1808 1810 1811 1810 O 102.649000 31.727000 13.306000 76 1809 1815 1812 1811 H 102.849896 33.173752 9.047144 75 1805 1813 1812 H 106.406929 33.456140 11.472359 75 1806 1814 1813 H 101.631694 32.129037 10.906385 75 1807 1815 1814 H 105.204032 32.378816 13.352662 75 1808 1816 1815 H 103.246095 31.705988 14.070157 24 1810 1817 1816 N 105.860000 37.251000 9.304000 3 1800 1817 1820 1818 1817 CH 106.186000 38.351000 10.172000 6 1816 1818 1821 1819 1818 C 105.799000 39.687000 9.543000 1 1817 1819 1825 1820 1819 O 106.632000 40.565000 9.413000 2 1818 1821 1820 H 106.341485 37.165216 8.420307 4 1816 1822 1821 CH 107.703000 38.360000 10.379000 25 1817 1822 1823 1823 1822 O 108.318000 38.713000 9.154000 23 1821 1824 1824 1823 CH3 108.187000 36.988000 10.832000 7 1821 1825 1824 H 109.245966 38.712285 9.303930 24 1822 1826 1825 N 104.553000 39.866000 9.146000 3 1818 1826 1829 1827 1826 CH 104.140000 41.132000 8.472000 6 1825 1827 1830 1828 1827 C 105.110000 41.744000 7.452000 1 1826 1828 1831 1829 1828 O 105.318000 42.937000 7.463000 2 1827 1830 1829 H 103.839741 39.227982 9.468948 4 1825 1831 1830 CH3 103.866000 42.238000 9.457000 7 1826 1832 1831 N 105.739000 40.975000 6.610000 3 1827 1832 1835 1833 1832 CH 106.596000 41.547000 5.581000 6 1831 1833 1836 1834 1833 C 107.964000 42.027000 5.987000 1 1832 1834 1849 1835 1834 O 108.681000 42.610000 5.147000 2 1833 1836 1835 H 105.471808 40.003476 6.540357 4 1831 1837 1836 CH2 105.897000 42.636000 4.752000 66 1832 1837 1838 1837 C 104.864000 42.030000 3.838000 11 1836 1838 1839 1839 1838 C 105.144000 41.833000 2.484000 11 1837 1840 1844 1840 1839 C 103.624000 41.605000 4.326000 11 1837 1841 1845 1841 1840 C 104.197000 41.318000 1.615000 11 1838 1842 1846 1842 1841 C 102.680000 41.042000 3.478000 11 1839 1842 1847 1843 1842 C 102.955000 40.918000 2.114000 26 1840 1841 1843 1844 1843 O 102.037000 40.350000 1.244000 76 1842 1848 1845 1844 H 106.115856 42.118363 2.081304 75 1838 1846 1845 H 103.390392 41.709542 5.385527 75 1839 1847 1846 H 104.443414 41.174875 0.562909 75 1840 1848 1847 H 101.718080 40.715599 3.873313 75 1841 1849 1848 H 101.255512 40.093675 1.758270 24 1843 1850 1849 N 108.327000 41.774000 7.233000 3 1833 1850 1853 1851 1850 CH 109.617000 42.182000 7.739000 6 1849 1851 1854 1852 1851 C 110.716000 41.269000 7.228000 1 1850 1852 1857 1853 1852 O 110.466000 40.182000 6.752000 2 1851 1854 1853 H 107.747583 41.170555 7.798889 4 1849 1855 1854 CH2 109.622000 42.191000 9.242000 22 1850 1855 1856 1855 O 110.097000 40.958000 9.766000 23 1854 1856 1857 1856 H 110.073865 41.032179 10.702783 24 1855 1858 1857 N 111.946000 41.742000 7.317000 3 1851 1858 1861 1859 1858 CH 113.078000 40.984000 6.871000 6 1857 1859 1862 1860 1859 C 113.662000 40.228000 8.018000 1 1858 1860 1863 1861 1860 O 114.778000 39.733000 7.887000 2 1859 1862 1861 H 112.101051 42.615189 7.800321 4 1857 1863 1862 CH3 114.105000 41.834000 6.127000 7 1858 1864 1863 N 112.895000 40.140000 9.135000 3 1859 1864 1867 1865 1864 CH 113.439000 39.444000 10.351000 6 1863 1865 1868 1866 1865 C 113.657000 38.041000 10.005000 1 1864 1866 1872 1867 1866 O 112.784000 37.424000 9.423000 2 1865 1868 1867 H 111.898030 40.281549 9.056805 4 1863 1869 1868 CH2 112.629000 39.471000 11.662000 9 1864 1869 1870 1869 CH 112.355000 40.871000 12.066000 8 1868 1870 1871 1871 1870 CH3 111.133000 40.963000 13.021000 7 1869 1872 1871 CH3 113.599000 41.274000 12.792000 7 1869 1873 1872 N 114.850000 37.592000 10.303000 3 1865 1873 1876 1874 1873 CH 115.262000 36.243000 9.934000 6 1872 1874 1877 1875 1874 C 114.825000 35.164000 10.894000 1 1873 1875 1883 1876 1875 O 115.613000 34.305000 11.231000 2 1874 1877 1876 H 115.430951 38.126260 10.933208 4 1872 1878 1877 CH2 116.777000 36.136000 9.802000 9 1873 1878 1879 1878 C 117.150000 35.319000 8.620000 1 1877 1879 1880 1880 1879 O 117.981000 34.416000 8.723000 2 1878 1881 1880 N 116.446000 35.583000 7.531000 12 1878 1881 1882 1882 1881 H 115.722794 36.287987 7.539143 13 1880 1883 1882 H 116.624970 35.079407 6.673991 13 1880 1884 1883 N 113.598000 35.209000 11.373000 3 1874 1884 1887 1885 1884 CH 113.215000 34.187000 12.312000 6 1883 1885 1888 1886 1885 C 111.788000 33.676000 12.139000 1 1884 1886 1901 1887 1886 O 110.958000 34.303000 11.506000 2 1885 1888 1887 H 112.880094 35.675789 10.837445 4 1883 1889 1888 CH2 113.561000 34.542000 13.786000 66 1884 1889 1890 1889 C 114.942000 35.145000 13.982000 11 1888 1890 1891 1891 1890 C 115.291000 36.405000 13.486000 11 1889 1892 1896 1892 1891 C 115.908000 34.474000 14.736000 11 1889 1893 1897 1893 1892 C 116.562000 36.949000 13.665000 11 1890 1894 1898 1894 1893 C 117.183000 34.995000 14.929000 11 1891 1894 1899 1895 1894 C 117.512000 36.252000 14.411000 26 1892 1893 1895 1896 1895 O 118.765000 36.783000 14.621000 76 1894 1900 1897 1896 H 114.559446 36.995235 12.934138 75 1890 1898 1897 H 115.673603 33.510608 15.188806 75 1891 1899 1898 H 116.794435 37.934976 13.262600 75 1892 1900 1899 H 117.912432 34.444648 15.523257 75 1893 1901 1900 H 119.276491 36.146340 15.144395 24 1895 1902 1901 N 111.498000 32.541000 12.732000 3 1885 1902 1905 1903 1902 CH 110.172000 31.942000 12.737000 6 1901 1903 1906 1904 1903 C 109.697000 31.771000 14.180000 1 1902 1904 1910 1905 1904 O 110.038000 30.792000 14.856000 2 1903 1906 1905 H 112.240293 32.054254 13.213850 4 1901 1907 1906 CH2 110.077000 30.668000 11.862000 16 1902 1907 1908 1907 C 108.919000 29.746000 12.117000 17 1906 1908 1909 1909 1908 O 108.956000 28.582000 11.790000 18 1907 1910 1909 O 107.873000 30.291000 12.706000 18 1907 1911 1910 N 108.959000 32.803000 14.641000 3 1903 1911 1916 1912 1911 CH 108.408000 32.869000 15.984000 14 1910 1912 1914 1913 1912 C 107.490000 31.712000 16.324000 1 1911 1913 1917 1914 1913 O 107.185000 31.502000 17.480000 2 1912 1915 1914 CH2 107.607000 34.170000 16.053000 9 1911 1915 1916 1915 CH2 107.265000 34.480000 14.608000 9 1914 1916 1917 1916 CH2 108.381000 33.876000 13.774000 15 1910 1915 1918 1917 N 107.008000 30.972000 15.328000 3 1912 1918 1921 1919 1918 CH 106.158000 29.844000 15.647000 6 1917 1919 1922 1920 1919 C 107.013000 28.712000 16.214000 1 1918 1920 1934 1921 1920 O 106.930000 28.330000 17.395000 2 1919 1922 1921 H 107.470062 30.998498 14.430283 4 1917 1923 1922 CH2 105.241000 29.407000 14.505000 66 1918 1923 1924 1923 C 104.543000 28.137000 14.912000 11 1922 1924 1925 1925 1924 C 103.278000 28.189000 15.520000 11 1923 1926 1929 1926 1925 C 105.121000 26.883000 14.703000 11 1923 1927 1930 1927 1926 C 102.638000 27.025000 15.930000 11 1924 1928 1931 1928 1927 C 104.501000 25.708000 15.119000 11 1925 1928 1932 1929 1928 C 103.235000 25.782000 15.733000 11 1926 1927 1933 1930 1929 H 102.798322 29.151339 15.698639 75 1924 1931 1930 H 106.102098 26.806386 14.234304 75 1925 1932 1931 H 101.656338 27.079605 16.400593 75 1926 1933 1932 H 104.980561 24.745735 14.939645 75 1927 1934 1933 H 102.735987 24.871392 16.064480 75 1928 1935 1934 N 107.937000 28.209000 15.421000 3 1919 1935 1938 1936 1935 CH 108.759000 27.124000 15.966000 6 1934 1936 1939 1937 1936 C 109.553000 27.473000 17.212000 1 1935 1937 1943 1938 1937 O 109.809000 26.650000 18.102000 2 1936 1939 1938 H 108.313548 28.784428 14.681274 4 1934 1940 1939 CH 109.745000 26.587000 14.918000 25 1935 1940 1941 1941 1940 O 110.431000 27.712000 14.521000 23 1939 1942 1942 1941 CH3 109.033000 25.973000 13.725000 7 1939 1943 1942 H 111.054212 27.437576 13.873004 24 1940 1944 1943 N 110.002000 28.719000 17.273000 3 1936 1944 1947 1945 1944 CH 110.770000 29.113000 18.418000 6 1943 1945 1948 1946 1945 C 109.950000 29.368000 19.644000 1 1944 1946 1952 1947 1946 O 110.334000 28.983000 20.771000 2 1945 1948 1947 H 109.546772 29.431143 16.720081 4 1943 1949 1948 CH2 111.375000 30.447000 18.096000 9 1944 1949 1950 1949 CH2 112.760000 30.260000 17.531000 34 1948 1950 1951 1950 S 113.325000 31.904000 17.129000 35 1949 1951 1952 1951 CH3 114.424000 32.251000 18.547000 36 1950 1953 1952 N 108.826000 30.037000 19.391000 3 1945 1953 1956 1954 1953 CH 107.943000 30.454000 20.466000 6 1952 1954 1957 1955 1954 C 106.695000 29.694000 20.799000 1 1953 1955 1969 1956 1955 O 106.377000 29.661000 21.989000 2 1954 1957 1956 H 108.503737 30.109735 18.436560 4 1952 1958 1957 CH2 107.517000 31.927000 20.401000 66 1953 1958 1959 1958 C 108.695000 32.753000 20.647000 11 1957 1959 1960 1960 1959 C 109.412000 32.584000 21.825000 11 1958 1961 1964 1961 1960 C 109.185000 33.569000 19.628000 11 1958 1962 1965 1962 1961 C 110.566000 33.331000 22.021000 11 1959 1963 1966 1963 1962 C 110.379000 34.266000 19.792000 11 1960 1963 1967 1964 1963 C 111.057000 34.141000 20.997000 11 1961 1962 1968 1965 1964 H 109.093230 31.840045 22.555079 75 1959 1966 1965 H 108.688927 33.586355 18.657582 75 1960 1967 1966 H 111.142437 33.212834 22.938528 75 1961 1968 1967 H 110.753800 34.901383 18.989558 75 1962 1969 1968 H 111.994172 34.675293 21.153016 75 1963 1970 1969 N 105.953000 29.264000 19.787000 3 1954 1970 1973 1971 1970 CH 104.638000 28.720000 19.984000 6 1969 1971 1974 1972 1971 C 104.372000 27.224000 20.092000 1 1970 1972 1978 1973 1972 O 103.289000 26.856000 20.586000 2 1971 1974 1973 H 106.323865 29.320780 18.849271 4 1969 1975 1974 CH2 103.647000 29.419000 19.024000 9 1970 1975 1976 1975 CH 103.804000 30.925000 19.182000 8 1974 1976 1977 1977 1976 CH3 103.060000 31.614000 18.057000 7 1975 1978 1977 CH3 103.352000 31.376000 20.592000 7 1975 1979 1978 N 105.292000 26.409000 19.596000 3 1971 1979 1982 1980 1979 CH 105.177000 24.977000 19.619000 6 1978 1980 1983 1981 1980 C 105.653000 24.410000 20.933000 1 1979 1981 1984 1982 1981 O 105.249000 23.310000 21.323000 2 1980 1983 1982 H 106.117423 26.816016 19.179930 4 1978 1984 1983 CH3 106.113000 24.341000 18.591000 7 1979 1985 1984 N 106.536000 25.179000 21.564000 3 1980 1985 1988 1986 1985 CH 107.241000 24.795000 22.772000 6 1984 1986 1989 1987 1986 C 107.004000 25.668000 23.920000 1 1985 1987 1995 1988 1987 O 106.565000 26.792000 23.767000 2 1986 1989 1988 H 106.728452 26.091413 21.175973 4 1984 1990 1989 CH2 108.712000 25.149000 22.594000 9 1985 1990 1991 1990 C 109.279000 24.073000 21.772000 1 1989 1991 1992 1992 1991 O 110.134000 24.312000 20.888000 2 1990 1993 1992 N 108.567000 22.962000 21.920000 12 1990 1993 1994 1994 1993 H 107.762304 22.939043 22.529949 13 1992 1995 1994 H 108.823612 22.122073 21.421229 13 1992 1996 1995 N 107.459000 25.172000 25.050000 3 1986 1996 1999 1997 1996 CH 107.439000 26.028000 26.215000 6 1995 1997 2000 1998 1997 C 108.910000 26.323000 26.526000 1 1996 1998 2004 1999 1998 O 109.252000 26.811000 27.566000 2 1997 2000 1999 H 108.112250 24.402320 25.019065 4 1995 2001 2000 CH2 106.694000 25.470000 27.442000 16 1996 2001 2002 2001 C 107.405000 24.283000 28.024000 17 2000 2002 2003 2003 2002 O 108.124000 23.551000 27.354000 18 2001 2004 2003 O 107.238000 24.178000 29.325000 18 2001 2005 2004 N 109.737000 26.070000 25.539000 3 1997 2005 2008 2006 2005 CH 111.198000 26.079000 25.532000 6 2004 2006 2009 2007 2006 C 111.937000 27.406000 25.632000 1 2005 2007 2017 2008 2007 O 112.871000 27.487000 26.421000 2 2006 2009 2008 H 109.301319 25.835587 24.658470 4 2004 2010 2009 CH2 111.735000 25.242000 24.374000 9 2005 2010 2011 2010 CH2 113.130000 24.708000 24.619000 9 2009 2011 2012 2011 CH2 113.805000 24.198000 23.355000 9 2010 2012 2013 2012 CH2 115.305000 24.008000 23.513000 19 2011 2013 2014 2013 N 115.920000 23.299000 22.381000 20 2012 2014 2015 2016 2015 2014 H 116.943494 23.191682 22.531144 21 2013 2016 2015 H 115.770981 23.825969 21.496864 21 2013 2017 2016 H 115.502502 22.352525 22.273858 21 2013 2018 2017 N 111.563000 28.394000 24.801000 3 2006 2018 2021 2019 2018 CH 112.176000 29.718000 24.737000 6 2017 2019 2022 2020 2019 C 111.433000 30.836000 25.540000 1 2018 2020 2034 2021 2020 O 110.260000 30.767000 25.883000 2 2019 2022 2021 H 110.796811 28.205727 24.170439 4 2017 2023 2022 CH2 112.425000 30.097000 23.283000 9 2018 2023 2024 2023 CH2 113.587000 29.322000 22.666000 57 2022 2024 2025 2024 CH2 113.866000 29.697000 21.229000 56 2023 2025 2026 2025 N 114.679000 28.739000 20.467000 54 2024 2026 2029 2027 2026 C 114.319000 27.500000 20.050000 53 2025 2027 2028 2028 2027 N 113.133000 26.927000 20.369000 51 2026 2030 2031 2029 2028 N 115.198000 26.804000 19.295000 51 2026 2032 2033 2030 2029 H 115.611340 29.047909 20.231592 55 2025 2031 2030 H 112.441915 27.391931 20.940262 52 2027 2032 2031 H 112.931811 25.999803 20.022694 52 2027 2033 2032 H 116.101711 27.172883 19.035518 52 2028 2034 2033 H 114.942103 25.879848 18.977887 52 2028 2035 2034 N 112.150000 31.874000 25.925000 3 2019 2035 2038 2036 2035 CH 111.611000 32.973000 26.740000 6 2034 2036 2039 2037 2036 C 111.420000 34.206000 25.852000 1 2035 2037 2046 2038 2037 O 112.343000 34.536000 25.081000 2 2036 2039 2038 H 113.119644 31.916218 25.645521 4 2034 2040 2039 CH2 112.595000 33.218000 27.913000 9 2035 2040 2041 2040 CH2 112.241000 34.438000 28.789000 9 2039 2041 2042 2041 C 110.954000 34.248000 29.542000 1 2040 2042 2043 2043 2042 O 110.152000 35.184000 29.668000 2 2041 2044 2043 N 110.774000 33.033000 30.051000 12 2041 2044 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2060 2062 2063 2062 N 107.441000 39.154000 30.319000 54 2061 2063 2066 2064 2063 C 106.828000 39.185000 31.501000 53 2062 2064 2065 2065 2064 N 107.489000 39.335000 32.657000 51 2063 2067 2068 2066 2065 N 105.513000 39.041000 31.539000 51 2063 2069 2070 2067 2066 H 106.919668 38.921809 29.485693 55 2062 2068 2067 H 108.493304 39.433527 32.699032 52 2064 2069 2068 H 106.963635 39.350207 33.519473 52 2064 2070 2069 H 104.957288 38.908594 30.706082 52 2065 2071 2070 H 105.046649 39.064277 32.434587 52 2065 2072 2071 N 113.118000 39.861000 26.647000 3 2056 2072 2075 2073 2072 CH 114.528000 40.094000 26.417000 6 2071 2073 2076 2074 2073 C 115.133000 41.340000 26.989000 1 2072 2074 2079 2075 2074 O 116.351000 41.486000 26.888000 2 2073 2076 2075 H 112.486756 40.649366 26.657526 4 2071 2077 2076 CH 114.805000 40.093000 24.958000 8 2072 2077 2078 2078 2077 CH3 114.765000 38.656000 24.480000 7 2076 2079 2078 CH3 113.716000 40.920000 24.313000 7 2076 2080 2079 N 114.317000 42.219000 27.543000 3 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114.978000 46.289000 36.361000 2 2096 2099 2098 H 116.474792 43.640320 33.777505 4 2094 2100 2099 CH2 114.012000 43.750000 35.122000 9 2095 2100 2101 2100 CH2 112.685000 43.306000 34.426000 9 2099 2101 2102 2101 C 111.653000 44.431000 34.199000 1 2100 2102 2103 2103 2102 O 111.377000 45.290000 35.074000 2 2101 2104 2103 N 111.034000 44.415000 33.018000 12 2101 2104 2105 2105 2104 H 111.243076 43.703413 32.332412 13 2103 2106 2105 H 110.344818 45.118632 32.794324 13 2103 2107 2106 N 116.826000 46.068000 35.065000 3 2096 2107 2110 2108 2107 CH 117.616000 47.006000 35.901000 6 2106 2108 2111 2109 2108 C 118.241000 48.056000 35.012000 1 2107 2109 2115 2110 2109 O 118.538000 47.819000 33.837000 2 2108 2111 2110 H 117.196628 45.777367 34.171542 4 2106 2112 2111 CH 118.827000 46.329000 36.597000 25 2107 2112 2113 2113 2112 O 119.872000 46.314000 35.661000 23 2111 2114 2114 2113 CH3 118.571000 44.882000 36.998000 7 2111 2115 2114 H 120.607548 45.904490 36.079176 24 2112 2116 2115 N 118.511000 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2133 O 125.856000 45.291000 35.333000 2 2132 2135 2134 CH2 125.243000 45.703000 32.472000 9 2131 2135 2136 2135 CH2 125.548000 47.168000 32.243000 9 2134 2136 2137 2136 CH2 124.597000 47.989000 33.079000 15 2130 2135 2138 2137 N 123.950000 43.942000 35.366000 3 2132 2138 2141 2139 2138 CH 124.283000 43.171000 36.531000 6 2137 2139 2142 2140 2139 C 125.477000 42.294000 36.190000 1 2138 2140 2146 2141 2140 O 125.576000 41.627000 35.128000 2 2139 2142 2141 H 123.073110 43.761616 34.898426 4 2137 2143 2142 CH2 123.104000 42.352000 37.075000 9 2138 2143 2144 2143 CH 123.518000 41.159000 37.947000 8 2142 2144 2145 2145 2144 CH3 123.660000 41.683000 39.349000 7 2143 2146 2145 CH3 122.358000 40.161000 37.982000 7 2143 2147 2146 N 126.413000 42.368000 37.099000 3 2139 2147 2150 2148 2147 CH 127.643000 41.644000 36.944000 6 2146 2148 2151 2149 2148 C 127.392000 40.204000 37.197000 1 2147 2149 2154 2150 2149 O 126.970000 39.854000 38.310000 2 2148 2151 2150 H 126.190939 42.769032 37.998979 4 2146 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5526 5525 CH 138.650000 73.789000 -3.806000 6 5524 5526 5529 5527 5526 C 138.148000 72.834000 -4.848000 1 5525 5527 5534 5528 5527 O 137.639000 71.743000 -4.556000 2 5526 5529 5528 H 139.927160 75.387360 -4.418652 4 5524 5530 5529 CH2 137.505000 74.781000 -3.736000 9 5525 5530 5531 5530 CH2 137.594000 75.892000 -2.675000 16 5529 5531 5532 5531 C 136.298000 76.638000 -2.546000 17 5530 5532 5533 5533 5532 O 135.234000 76.187000 -2.952000 18 5531 5534 5533 O 136.426000 77.772000 -1.896000 18 5531 5535 5534 N 138.277000 73.296000 -6.095000 3 5526 5535 5538 5536 5535 CH 137.776000 72.489000 -7.173000 6 5534 5536 5539 5537 5536 C 138.667000 71.335000 -7.536000 1 5535 5537 5545 5538 5537 O 138.159000 70.360000 -8.000000 2 5536 5539 5538 H 138.986766 73.987604 -6.289979 4 5534 5540 5539 CH2 137.354000 73.312000 -8.394000 9 5535 5540 5541 5540 C 136.096000 74.107000 -8.181000 1 5539 5541 5542 5542 5541 O 135.073000 73.565000 -7.852000 2 5540 5543 5542 N 136.137000 75.387000 -8.503000 12 5540 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5650 5649 C 129.153000 67.654000 -9.813000 11 5647 5650 5655 5651 5650 C 129.335000 68.536000 -10.887000 26 5648 5649 5651 5652 5651 O 128.423000 69.519000 -11.146000 76 5650 5656 5653 5652 H 132.180061 67.277426 -12.187109 75 5646 5654 5653 H 129.925169 65.946979 -8.772445 75 5647 5655 5654 H 130.552100 69.054175 -12.607796 75 5648 5656 5655 H 128.293199 67.752768 -9.150364 75 5649 5657 5656 H 127.716659 69.454456 -10.484322 24 5651 5658 5657 N 133.296000 68.144000 -8.854000 3 5641 5658 5661 5659 5658 CH 133.074000 69.280000 -7.969000 6 5657 5659 5662 5660 5659 C 131.925000 70.189000 -8.477000 1 5658 5660 5665 5661 5660 O 131.880000 70.687000 -9.606000 2 5659 5662 5661 H 133.420401 68.310294 -9.842418 4 5657 5663 5662 CH2 134.334000 70.043000 -7.555000 22 5658 5663 5664 5663 O 133.945000 71.275000 -6.957000 23 5662 5664 5665 5664 H 134.735194 71.721844 -6.713024 24 5663 5666 5665 N 130.997000 70.363000 -7.572000 3 5659 5666 5669 5667 5666 CH 129.818000 71.107000 -7.755000 6 5665 5667 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6241 6245 6241 6240 C 114.630000 83.854000 -12.228000 11 6238 6242 6246 6242 6241 C 114.130000 86.334000 -13.353000 11 6239 6243 6247 6243 6242 C 113.325000 84.335000 -12.296000 11 6240 6243 6248 6244 6243 C 113.075000 85.582000 -12.851000 26 6241 6242 6244 6245 6244 O 111.797000 86.045000 -12.892000 76 6243 6249 6246 6245 H 116.234272 86.436260 -13.713362 75 6239 6247 6246 H 114.786055 82.864471 -11.798373 75 6240 6248 6247 H 113.942221 87.304820 -13.811637 75 6241 6249 6248 H 112.501568 83.733042 -11.911675 75 6242 6250 6249 H 111.221802 85.372948 -12.494014 24 6244 6251 6250 N 119.830000 83.572000 -10.780000 3 6234 6251 6254 6252 6251 CH 121.128000 82.988000 -10.687000 6 6250 6252 6255 6253 6252 C 121.093000 82.045000 -9.517000 1 6251 6253 6262 6254 6253 O 121.688000 80.986000 -9.503000 2 6252 6255 6254 H 119.726074 84.555531 -10.575141 4 6250 6256 6255 CH2 122.152000 84.128000 -10.482000 9 6251 6256 6257 6256 CH2 122.587000 84.921000 -11.758000 9 6255 6257 6258 6257 C 123.090000 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118.910405 80.841261 -9.557258 4 6271 6277 6276 CH 116.630000 79.240000 -9.631000 8 6272 6277 6278 6278 6277 CH2 115.884000 80.226000 -8.735000 9 6276 6279 6279 6278 CH3 115.914000 77.915000 -9.895000 7 6276 6280 6279 CH3 114.549000 80.564000 -9.380000 10 6277 6281 6280 N 119.247000 78.673000 -11.063000 3 6273 6281 6284 6282 6281 CH 120.002000 77.927000 -12.038000 6 6280 6282 6285 6283 6282 C 120.736000 78.997000 -12.814000 1 6281 6283 6298 6284 6283 O 120.418000 80.180000 -12.730000 2 6282 6285 6284 H 119.311595 79.680929 -11.060367 4 6280 6286 6285 CH2 119.068000 77.130000 -12.940000 66 6281 6286 6287 6286 C 118.338000 78.084000 -13.850000 11 6285 6287 6288 6288 6287 C 117.240000 78.816000 -13.384000 11 6286 6289 6293 6289 6288 C 118.737000 78.272000 -15.184000 11 6286 6290 6294 6290 6289 C 116.545000 79.689000 -14.226000 11 6287 6291 6295 6291 6290 C 118.035000 79.112000 -16.052000 11 6288 6291 6296 6292 6291 C 116.942000 79.831000 -15.562000 26 6289 6290 6292 6293 6292 O 116.272000 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128.051000 47.529000 21.365000 69 7892 7894 7895 7895 7894 N 127.736000 47.652000 22.729000 46 7893 7896 7898 7896 7895 C 127.202000 46.610000 20.818000 49 7893 7897 7899 7897 7896 C 126.727000 46.792000 22.997000 48 7894 7897 7900 7898 7897 N 126.381000 46.138000 21.869000 46 7895 7896 7901 7899 7898 H 128.189725 48.271758 23.400143 47 7894 7900 7899 H 127.168641 46.277861 19.780372 75 7895 7901 7900 H 126.279042 46.653392 23.980982 75 7896 7902 7901 H 125.649143 45.432434 21.785559 47 7897 7903 7902 N 130.438000 45.388000 19.976000 3 7889 7903 7908 7904 7903 CH 130.430000 43.905000 20.119000 14 7902 7904 7906 7905 7904 C 131.672000 43.429000 20.904000 1 7903 7905 7909 7906 7905 O 131.631000 42.484000 21.664000 2 7904 7907 7906 CH2 130.449000 43.324000 18.708000 9 7903 7907 7908 7907 CH2 129.914000 44.427000 17.815000 9 7906 7908 7909 7908 CH2 130.337000 45.719000 18.522000 15 7902 7907 7910 7909 N 132.783000 44.153000 20.789000 3 7904 7910 7913 7911 7910 CH 133.954000 43.782000 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43.388000 25.721000 6 7927 7929 7932 7930 7929 C 130.475000 41.884000 25.541000 1 7928 7930 7935 7931 7930 O 129.942000 40.993000 26.250000 2 7929 7932 7931 H 130.920020 44.528870 24.105764 4 7927 7933 7932 CH 128.700000 43.738000 25.265000 8 7928 7933 7934 7934 7933 CH3 128.125000 45.016000 25.932000 7 7932 7935 7934 CH3 128.683000 43.876000 23.747000 7 7932 7936 7935 N 131.361000 41.609000 24.557000 3 7929 7936 7939 7937 7936 CH2 131.829000 40.264000 24.262000 5 7935 7937 7938 7937 C 130.907000 39.365000 23.417000 1 7936 7938 7940 7939 7938 O 130.858000 38.180000 23.692000 2 7937 7940 7939 H 131.714519 42.374121 24.000480 4 7935 7941 7940 N 130.208000 39.881000 22.387000 3 7937 7941 7944 7942 7941 CH 129.336000 39.089000 21.500000 6 7940 7942 7945 7943 7942 C 129.209000 39.679000 20.095000 1 7941 7943 7948 7944 7943 O 128.574000 40.735000 19.849000 2 7942 7945 7944 H 130.286257 40.872549 22.211485 4 7940 7946 7945 CH2 127.945000 38.781000 22.040000 22 7941 7946 7947 7946 O 127.179000 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CH3 116.408000 51.092000 7.094000 10 8087 8091 8090 N 116.351000 46.455000 10.528000 3 8083 8091 8094 8092 8091 CH 115.771000 45.785000 11.676000 6 8090 8092 8095 8093 8092 C 116.754000 45.750000 12.852000 1 8091 8093 8099 8094 8093 O 116.369000 45.558000 14.025000 2 8092 8095 8094 H 116.806684 45.901490 9.816608 4 8090 8096 8095 CH2 115.456000 44.334000 11.337000 16 8091 8096 8097 8096 C 114.744000 44.040000 10.055000 17 8095 8097 8098 8098 8097 O 115.063000 43.082000 9.377000 18 8096 8099 8098 O 113.728000 44.823000 9.767000 18 8096 8100 8099 N 118.046000 45.902000 12.551000 3 8092 8100 8103 8101 8100 CH 118.998000 45.892000 13.646000 6 8099 8101 8104 8102 8101 C 118.701000 47.038000 14.645000 1 8100 8102 8120 8103 8102 O 118.729000 46.899000 15.864000 2 8101 8104 8103 H 118.296784 46.363517 11.688324 4 8099 8105 8104 CH2 120.446000 45.889000 13.135000 66 8100 8105 8106 8105 C 121.455000 46.114000 14.212000 50 8104 8106 8107 8107 8106 C 121.992000 45.153000 15.006000 45 8105 8108 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122.084000 90.539000 8.823000 3 8780 8788 8791 8789 8788 CH 120.768000 89.944000 8.720000 6 8787 8789 8792 8790 8789 C 120.507000 89.080000 9.955000 1 8788 8790 8804 8791 8790 O 119.433000 89.082000 10.566000 2 8789 8792 8791 H 122.871189 90.061354 8.407923 4 8787 8793 8792 CH2 120.485000 89.239000 7.383000 66 8788 8793 8794 8793 C 119.436000 88.155000 7.506000 11 8792 8794 8795 8795 8794 C 118.148000 88.337000 6.965000 11 8793 8796 8799 8796 8795 C 119.695000 86.925000 8.107000 11 8793 8797 8800 8797 8796 C 117.163000 87.381000 7.150000 11 8794 8798 8801 8798 8797 C 118.724000 85.950000 8.307000 11 8795 8798 8802 8799 8798 C 117.416000 86.206000 7.851000 11 8796 8797 8803 8800 8799 H 117.898732 89.265671 6.451643 75 8794 8801 8800 H 120.684943 86.713652 8.511284 75 8795 8802 8801 H 116.170031 87.532588 6.726757 75 8796 8803 8802 H 118.989273 85.006356 8.783724 75 8797 8804 8803 H 116.633506 85.460683 7.993498 75 8798 8805 8804 N 121.516000 88.294000 10.290000 3 8789 8805 8808 8806 8805 CH 121.482000 87.341000 11.424000 6 8804 8806 8809 8807 8806 C 121.627000 88.121000 12.727000 1 8805 8807 8825 8808 8807 O 121.019000 87.825000 13.706000 2 8806 8809 8808 H 122.361186 88.346376 9.739530 4 8804 8810 8809 CH2 122.641000 86.320000 11.190000 66 8805 8810 8811 8810 C 122.263000 85.340000 10.105000 50 8809 8811 8812 8812 8811 C 122.782000 85.232000 8.855000 45 8810 8813 8819 8813 8812 C 121.167000 84.426000 10.145000 68 8810 8814 8815 8814 8813 N 122.118000 84.246000 8.130000 40 8811 8814 8820 8815 8814 C 121.140000 83.726000 8.905000 67 8812 8813 8816 8816 8815 C 120.229000 84.113000 11.140000 11 8812 8817 8821 8817 8816 C 120.210000 82.709000 8.647000 11 8814 8818 8822 8818 8817 C 119.290000 83.125000 10.902000 11 8815 8818 8823 8819 8818 C 119.308000 82.415000 9.671000 11 8816 8817 8824 8820 8819 H 123.572040 85.853449 8.433411 75 8811 8821 8820 H 122.312110 83.971128 7.177705 41 8813 8822 8821 H 120.218054 84.659484 12.083046 75 8815 8823 8822 H 120.186682 82.137170 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94.741650 18.284237 52 8836 8842 8841 H 126.034760 93.552139 19.005113 52 8836 8843 8842 N 120.460000 91.097000 13.299000 3 8827 8843 8846 8844 8843 CH 119.173000 91.737000 13.574000 6 8842 8844 8847 8845 8844 C 118.013000 90.779000 13.850000 1 8843 8845 8863 8846 8845 O 116.979000 91.151000 14.420000 2 8844 8847 8846 H 120.677293 90.821236 12.351985 4 8842 8848 8847 CH2 118.815000 92.685000 12.443000 66 8843 8848 8849 8848 C 119.789000 93.787000 12.228000 50 8847 8849 8850 8850 8849 C 120.744000 94.193000 13.061000 45 8848 8851 8857 8851 8850 C 119.839000 94.674000 11.134000 68 8848 8852 8853 8852 8851 N 121.476000 95.231000 12.544000 40 8849 8852 8858 8853 8852 C 120.938000 95.567000 11.347000 67 8850 8851 8854 8854 8853 C 119.113000 94.758000 9.957000 11 8850 8855 8859 8855 8854 C 121.325000 96.558000 10.413000 11 8852 8856 8860 8856 8855 C 119.457000 95.758000 9.044000 11 8853 8856 8861 8857 8856 C 120.539000 96.648000 9.294000 11 8854 8855 8862 8858 8857 H 120.959460 93.771562 14.042869 75 8849 8859 8858 H 122.248751 95.700269 12.994269 41 8851 8860 8859 H 118.280076 94.088126 9.743444 75 8853 8861 8860 H 122.143331 97.262375 10.562299 75 8854 8862 8861 H 118.858723 95.867937 8.139523 75 8855 8863 8862 H 120.788526 97.420451 8.566569 75 8856 8864 8863 N 118.170000 89.525000 13.473000 3 8844 8864 8867 8865 8864 CH 117.132000 88.570000 13.737000 6 8863 8865 8868 8866 8865 C 117.307000 87.928000 15.092000 1 8864 8866 8872 8867 8866 O 116.469000 88.041000 15.989000 2 8865 8868 8867 H 119.098238 89.191679 13.255351 4 8863 8869 8868 CH 117.190000 87.576000 12.577000 25 8864 8869 8870 8870 8869 O 116.804000 88.304000 11.402000 23 8868 8871 8871 8870 CH3 116.191000 86.455000 12.790000 7 8868 8872 8871 H 116.836952 87.699515 10.682895 24 8869 8873 8872 N 118.469000 87.293000 15.260000 3 8865 8873 8876 8874 8873 CH 118.737000 86.550000 16.459000 6 8872 8874 8877 8875 8874 C 119.534000 87.269000 17.508000 1 8873 8875 8881 8876 8875 O 119.665000 86.737000 18.601000 2 8874 8877 8876 H 119.228958 87.485940 14.623339 4 8872 8878 8877 CH 119.266000 85.155000 16.172000 8 8873 8878 8879 8879 8878 CH2 120.751000 85.159000 15.745000 9 8877 8880 8880 8879 CH3 118.425000 84.563000 15.049000 7 8877 8881 8880 CH3 121.161000 83.834000 15.108000 10 8878 8882 8881 N 120.035000 88.488000 17.219000 3 8874 8882 8885 8883 8882 CH2 120.733000 89.176000 18.284000 5 8881 8883 8884 8883 C 122.246000 88.976000 18.241000 1 8882 8884 8886 8885 8884 O 122.962000 89.800000 18.762000 2 8883 8886 8885 H 119.607027 89.031386 16.483017 4 8881 8887 8886 N 122.697000 87.918000 17.581000 3 8883 8887 8890 8888 8887 CH 124.086000 87.675000 17.462000 6 8886 8888 8891 8889 8888 C 124.438000 87.220000 16.069000 1 8887 8889 8903 8890 8889 O 123.571000 86.895000 15.261000 2 8888 8891 8890 H 122.056520 87.390527 17.005103 4 8886 8892 8891 CH2 124.650000 86.790000 18.570000 66 8887 8892 8893 8892 C 124.112000 85.421000 18.583000 11 8891 8893 8894 8894 8893 C 122.884000 85.144000 19.165000 11 8892 8895 8898 8895 8894 C 124.827000 84.386000 17.981000 11 8892 8896 8899 8896 8895 C 122.337000 83.861000 19.113000 11 8893 8897 8900 8897 8896 C 124.302000 83.098000 17.925000 11 8894 8897 8901 8898 8897 C 123.052000 82.831000 18.484000 11 8895 8896 8902 8899 8898 H 122.303672 85.946112 19.621000 75 8893 8900 8899 H 125.783872 84.591732 17.501240 75 8894 8901 8900 H 121.370599 83.661380 19.575948 75 8895 8902 8901 H 124.870848 82.297699 17.451680 75 8896 8903 8902 H 122.639768 81.822882 18.440826 75 8897 8904 8903 N 125.721000 87.118000 15.789000 3 8888 8904 8907 8905 8904 CH 126.074000 86.666000 14.479000 6 8903 8905 8908 8906 8905 C 127.455000 86.007000 14.390000 1 8904 8906 8914 8907 8906 O 128.280000 86.123000 15.261000 2 8905 8908 8907 H 126.378473 86.989840 16.544913 4 8903 8909 8908 CH2 125.906000 87.884000 13.578000 9 8904 8909 8910 8909 C 127.007000 88.874000 13.850000 1 8908 8910 8911 8911 8910 O 126.935000 89.732000 14.761000 2 8909 8912 8911 N 128.087000 88.642000 13.134000 12 8909 8912 8913 8913 8912 H 128.122881 87.868941 12.485006 13 8911 8914 8913 H 128.897143 89.238075 13.225995 13 8911 8915 8914 N 127.716000 85.313000 13.301000 3 8905 8915 8918 8916 8915 CH 128.978000 84.632000 13.027000 6 8914 8916 8919 8917 8916 C 129.696000 85.460000 11.996000 1 8915 8917 8920 8918 8917 O 129.194000 86.514000 11.589000 2 8916 8919 8918 H 126.988553 85.247141 12.603444 4 8914 8920 8919 CH3 128.702000 83.286000 12.293000 7 8915 8921 8920 N 130.816000 84.924000 11.522000 3 8916 8921 8924 8922 8921 CH 131.525000 85.551000 10.400000 6 8920 8922 8925 8923 8922 C 131.423000 84.586000 9.213000 1 8921 8923 8929 8924 8923 O 131.027000 83.428000 9.279000 2 8922 8925 8924 H 131.058046 83.980248 11.788168 4 8920 8926 8925 CH 133.033000 85.792000 10.706000 25 8921 8926 8927 8927 8926 O 133.548000 84.554000 11.145000 23 8925 8928 8928 8927 CH3 133.173000 86.772000 11.853000 7 8925 8929 8928 H 134.459217 84.688231 11.332789 24 8926 8930 8929 N 131.856000 85.006000 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8.458000 6 8964 8966 8969 8967 8966 C 132.350000 76.055000 9.585000 1 8965 8967 8979 8968 8967 O 132.300000 74.802000 9.631000 2 8966 8969 8968 H 131.816404 78.987000 8.749122 4 8964 8970 8969 CH2 132.816000 77.169000 7.323000 66 8965 8970 8971 8970 C 132.148000 77.804000 6.137000 69 8969 8971 8972 8972 8971 N 132.339000 79.166000 5.845000 46 8970 8973 8975 8973 8972 C 131.322000 77.252000 5.165000 49 8970 8974 8976 8974 8973 C 131.564000 79.417000 4.770000 48 8971 8974 8977 8975 8974 N 130.953000 78.303000 4.316000 46 8972 8973 8978 8976 8975 H 132.894904 79.851375 6.356500 47 8971 8977 8976 H 131.000612 76.214193 5.076867 75 8972 8978 8977 H 131.486993 80.412961 4.333845 75 8973 8979 8978 H 130.321127 78.249004 3.517113 47 8974 8980 8979 N 132.884000 76.781000 10.543000 3 8966 8980 8983 8981 8980 CH 133.299000 76.125000 11.748000 6 8979 8981 8984 8982 8981 C 132.044000 75.607000 12.497000 1 8980 8982 8996 8983 8982 O 131.957000 74.474000 12.923000 2 8981 8984 8983 H 132.702170 77.774278 10.563899 4 8979 8985 8984 CH2 133.964000 77.161000 12.594000 9 8980 8985 8986 8985 CH2 135.211000 77.580000 11.951000 57 8984 8986 8987 8986 CH2 136.249000 78.009000 12.934000 56 8985 8987 8988 8987 N 137.413000 78.494000 12.208000 54 8986 8988 8991 8989 8988 C 138.573000 77.798000 12.089000 53 8987 8989 8990 8990 8989 N 138.770000 76.633000 12.698000 51 8988 8992 8993 8991 8990 N 139.566000 78.302000 11.348000 51 8988 8994 8995 8992 8991 H 137.343050 79.402002 11.771263 55 8987 8993 8992 H 138.068848 76.200831 13.282565 52 8989 8994 8993 H 139.654192 76.161411 12.571875 52 8989 8995 8994 H 139.489455 79.187363 10.868027 52 8990 8996 8995 H 140.425346 77.777880 11.264790 52 8990 8997 8996 N 131.025000 76.441000 12.678000 3 8981 8997 9000 8998 8997 CH 129.853000 75.923000 13.388000 6 8996 8998 9001 8999 8998 C 129.279000 74.757000 12.552000 1 8997 8999 9017 9000 8999 O 128.800000 73.789000 13.030000 2 8998 9001 9000 H 130.908934 77.217465 12.042601 4 8996 9002 9001 CH2 128.789000 77.008000 13.516000 66 8997 9002 9003 9002 C 128.937000 78.136000 14.502000 50 9001 9003 9004 9004 9003 C 129.501000 79.330000 14.300000 45 9002 9005 9011 9005 9004 C 128.358000 78.191000 15.807000 68 9002 9006 9007 9006 9005 N 129.396000 80.108000 15.430000 40 9003 9006 9012 9007 9006 C 128.709000 79.408000 16.380000 67 9004 9005 9008 9008 9007 C 127.661000 77.264000 16.561000 11 9004 9009 9013 9009 9008 C 128.324000 79.755000 17.661000 11 9006 9010 9014 9010 9009 C 127.290000 77.604000 17.837000 11 9007 9010 9015 9011 9010 C 127.621000 78.838000 18.351000 11 9008 9009 9016 9012 9011 H 129.950092 79.677254 13.369500 75 9003 9013 9012 H 129.740223 81.051049 15.540771 41 9005 9014 9013 H 127.396552 76.286022 16.158848 75 9007 9015 9014 H 128.558933 80.717183 18.116094 75 9008 9016 9015 H 126.718394 76.898115 18.439573 75 9009 9017 9016 H 127.323811 79.103328 19.365584 75 9010 9018 9017 N 129.343000 74.831000 11.253000 3 8998 9018 9021 9019 9018 CH2 128.833000 73.741000 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9036 9041 9037 9036 C 136.761000 69.120000 13.217000 11 9034 9035 9042 9038 9037 H 134.375063 70.541689 8.382593 75 9029 9039 9038 H 136.100616 68.786870 9.134937 41 9031 9040 9039 H 134.450277 71.591845 13.362752 75 9033 9041 9040 H 137.391435 68.018846 11.498944 75 9034 9042 9041 H 135.968621 70.348791 14.788593 75 9035 9043 9042 H 137.422791 68.565469 13.882303 75 9036 9044 9043 N 131.605000 71.767000 13.051000 3 9024 9044 9047 9045 9044 CH 131.507000 71.230000 14.403000 6 9043 9045 9048 9046 9045 C 130.246000 70.490000 14.600000 1 9044 9046 9060 9047 9046 O 130.209000 69.386000 15.180000 2 9045 9048 9047 H 131.246355 72.692592 12.864577 4 9043 9049 9048 CH2 131.607000 72.362000 15.393000 66 9044 9049 9050 9049 C 131.375000 72.002000 16.790000 11 9048 9050 9051 9051 9050 C 132.259000 71.154000 17.453000 11 9049 9052 9055 9052 9051 C 130.276000 72.532000 17.480000 11 9049 9053 9056 9053 9052 C 132.053000 70.817000 18.797000 11 9050 9054 9057 9054 9053 C 130.080000 72.217000 18.809000 11 9051 9054 9058 9055 9054 C 130.961000 71.334000 19.465000 11 9052 9053 9059 9056 9055 H 133.128337 70.755896 16.929677 75 9050 9057 9056 H 129.592447 73.214124 16.974469 75 9051 9058 9057 H 132.751505 70.152437 19.305474 75 9052 9059 9058 H 129.225693 72.628641 19.346412 75 9053 9060 9059 H 130.803562 71.087078 20.514925 75 9054 9061 9060 N 129.177000 71.104000 14.121000 3 9045 9061 9064 9062 9061 CH 127.893000 70.415000 14.299000 6 9060 9062 9065 9063 9062 C 127.931000 68.997000 13.711000 1 9061 9063 9077 9064 9063 O 127.549000 68.017000 14.345000 2 9062 9065 9064 H 129.285702 71.745040 13.348115 4 9060 9066 9065 CH2 126.808000 71.266000 13.674000 66 9061 9066 9067 9066 C 126.137000 72.163000 14.725000 11 9065 9067 9068 9068 9067 C 126.867000 72.905000 15.659000 11 9066 9069 9072 9069 9068 C 124.743000 72.240000 14.780000 11 9066 9070 9073 9070 9069 C 126.230000 73.688000 16.624000 11 9067 9071 9074 9071 9070 C 124.093000 73.004000 15.751000 11 9068 9071 9075 9072 9071 C 124.836000 73.768000 16.656000 11 9069 9070 9076 9073 9072 H 127.956076 72.860125 15.659490 75 9067 9074 9073 H 124.137354 71.665268 14.079304 75 9068 9075 9074 H 126.821388 74.257323 17.341099 75 9069 9076 9075 H 123.004048 73.047047 15.771758 75 9070 9077 9076 H 124.326482 74.363778 17.413324 75 9071 9078 9077 N 128.432000 68.897000 12.483000 3 9062 9078 9081 9079 9078 CH 128.564000 67.670000 11.710000 6 9077 9079 9082 9080 9079 C 129.315000 66.610000 12.437000 1 9078 9080 9085 9081 9080 O 128.818000 65.516000 12.662000 2 9079 9082 9081 H 128.750107 69.750474 12.046548 4 9077 9083 9082 CH2 129.457000 67.950000 10.570000 22 9078 9083 9084 9083 O 129.134000 67.017000 9.559000 23 9082 9084 9085 9084 H 129.702516 67.194376 8.831726 24 9083 9086 9085 N 130.555000 66.952000 12.751000 3 9079 9086 9089 9087 9086 CH 131.412000 66.116000 13.547000 6 9085 9087 9090 9088 9087 C 130.650000 65.604000 14.767000 1 9086 9088 9094 9089 9088 O 130.828000 64.508000 15.230000 2 9087 9090 9089 H 130.913201 67.835665 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131.734000 63.271000 18.418000 8 9121 9126 9127 9127 9126 CH3 132.299000 63.215000 19.847000 7 9125 9128 9127 CH3 132.917000 63.368000 17.427000 7 9125 9129 9128 N 128.844000 62.349000 19.262000 3 9122 9129 9132 9130 9129 CH 127.806000 62.042000 20.258000 6 9128 9130 9133 9131 9130 C 127.298000 60.628000 20.111000 1 9129 9131 9136 9132 9131 O 126.919000 60.004000 21.086000 2 9130 9133 9132 H 128.701019 63.122254 18.628175 4 9128 9134 9133 CH2 126.575000 62.944000 20.179000 22 9129 9134 9135 9134 O 126.884000 64.311000 20.334000 23 9133 9135 9136 9135 H 126.073560 64.783124 20.271664 24 9134 9137 9136 N 127.206000 60.157000 18.864000 3 9130 9137 9140 9138 9137 CH 126.685000 58.812000 18.628000 6 9136 9138 9141 9139 9138 C 127.669000 57.808000 19.193000 1 9137 9139 9142 9140 9139 O 127.276000 56.931000 19.968000 2 9138 9141 9140 H 127.717497 60.620349 18.126587 4 9136 9142 9141 CH3 126.435000 58.551000 17.148000 7 9137 9143 9142 N 128.966000 57.962000 18.820000 3 9138 9143 9146 9144 9143 CH 129.949000 57.024000 19.361000 6 9142 9144 9147 9145 9144 C 129.904000 56.921000 20.889000 1 9143 9145 9150 9146 9145 O 129.965000 55.833000 21.444000 2 9144 9147 9146 H 129.278446 58.866404 18.496688 4 9142 9148 9147 CH2 131.344000 57.303000 18.871000 22 9143 9148 9149 9148 O 131.289000 57.900000 17.587000 23 9147 9149 9150 9149 H 132.176639 58.056548 17.320185 24 9148 9151 9150 N 129.806000 58.066000 21.601000 3 9144 9151 9154 9152 9151 CH 129.757000 58.009000 23.031000 6 9150 9152 9155 9153 9152 C 128.636000 57.092000 23.531000 1 9151 9153 9158 9154 9153 O 128.828000 56.160000 24.306000 2 9152 9155 9154 H 129.503020 58.908672 21.133873 4 9150 9156 9155 CH 129.770000 59.398000 23.676000 8 9151 9156 9157 9157 9156 CH3 129.817000 59.242000 25.187000 7 9155 9158 9157 CH3 131.079000 60.085000 23.333000 7 9155 9159 9158 N 127.448000 57.343000 23.043000 3 9152 9159 9162 9160 9159 CH2 126.265000 56.600000 23.451000 5 9158 9160 9161 9160 C 126.363000 55.114000 23.138000 1 9159 9161 9163 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9180 9180 9179 CH3 133.502000 54.763000 23.344000 7 9178 9181 9180 CH3 132.827000 52.532000 22.553000 7 9178 9182 9181 N 128.752000 53.634000 25.470000 3 9174 9182 9185 9183 9182 CH 128.216000 53.454000 26.837000 6 9181 9183 9186 9184 9183 C 127.136000 52.380000 27.002000 1 9182 9184 9190 9185 9184 O 126.757000 52.088000 28.131000 2 9183 9186 9185 H 128.155802 54.032598 24.758826 4 9181 9187 9186 CH2 127.553000 54.768000 27.317000 9 9182 9187 9188 9187 CH 128.575000 55.838000 27.693000 8 9186 9188 9189 9189 9188 CH3 127.800000 57.067000 28.205000 7 9187 9190 9189 CH3 129.445000 55.274000 28.825000 7 9187 9191 9190 N 126.587000 51.834000 25.903000 3 9183 9191 9194 9192 9191 CH 125.433000 50.917000 25.975000 6 9190 9192 9195 9193 9192 C 125.831000 49.509000 26.202000 1 9191 9193 9199 9194 9193 O 126.598000 48.991000 25.431000 2 9192 9195 9194 H 126.976964 52.058666 24.998813 4 9190 9196 9195 CH 124.679000 51.042000 24.634000 25 9191 9196 9197 9197 9196 O 124.241000 52.374000 24.641000 23 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102.063000 59.529000 30.176000 11 9409 9411 9412 9412 9411 C 103.057000 58.617000 29.855000 11 9410 9413 9417 9413 9412 C 102.221000 60.842000 29.714000 11 9410 9414 9418 9414 9413 C 104.164000 58.978000 29.101000 11 9411 9415 9419 9415 9414 C 103.311000 61.225000 28.943000 11 9412 9415 9420 9416 9415 C 104.292000 60.283000 28.636000 26 9413 9414 9416 9417 9416 O 105.398000 60.611000 27.881000 76 9415 9421 9418 9417 H 102.994782 57.591942 30.220356 75 9411 9419 9418 H 101.482884 61.602227 29.969614 75 9412 9420 9419 H 104.928187 58.237246 28.865623 75 9413 9421 9420 H 103.401218 62.255972 28.600863 75 9414 9422 9421 H 105.331838 61.549365 27.644370 24 9416 9423 9422 N 98.913000 58.923000 33.359000 3 9406 9423 9428 9424 9423 CH 97.779000 58.267000 33.953000 14 9422 9424 9426 9425 9424 C 97.405000 57.042000 33.215000 1 9423 9425 9429 9426 9425 O 97.754000 56.904000 32.048000 2 9424 9427 9426 CH2 96.650000 59.250000 33.619000 9 9423 9427 9428 9427 CH2 97.323000 60.603000 33.810000 9 9426 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26.257000 11 9443 9446 9451 9447 9446 C 90.507000 57.061000 26.599000 26 9444 9445 9447 9448 9447 O 89.414000 57.571000 25.912000 76 9446 9452 9449 9448 H 92.774487 57.992160 28.975366 75 9442 9450 9449 H 92.512668 54.339808 26.735846 75 9443 9451 9450 H 90.786429 58.843465 27.773502 75 9444 9452 9451 H 90.595200 55.194297 25.485589 75 9445 9453 9452 H 89.162270 56.928731 25.230074 24 9447 9454 9453 N 93.214000 52.956000 29.672000 3 9437 9454 9457 9455 9454 CH 92.547000 51.691000 29.955000 6 9453 9455 9458 9456 9455 C 93.157000 51.265000 31.311000 1 9454 9456 9462 9457 9456 O 94.206000 51.740000 31.762000 2 9455 9458 9457 H 94.130729 52.942137 29.248306 4 9453 9459 9458 CH2 92.735000 50.541000 28.934000 9 9454 9459 9460 9459 CH 92.659000 50.975000 27.485000 8 9458 9460 9461 9461 9460 CH3 92.747000 49.698000 26.650000 7 9459 9462 9461 CH3 91.359000 51.762000 27.215000 7 9459 9463 9462 N 92.507000 50.368000 32.010000 3 9455 9463 9468 9464 9463 CH 92.982000 50.025000 33.332000 14 9462 9464 9466 9465 9464 C 94.383000 49.433000 33.435000 1 9463 9465 9469 9466 9465 O 94.823000 48.621000 32.607000 2 9464 9467 9466 CH2 91.893000 49.172000 33.989000 9 9463 9467 9468 9467 CH2 90.706000 49.197000 33.003000 9 9466 9468 9469 9468 CH2 91.233000 49.678000 31.670000 15 9462 9467 9470 9469 N 95.079000 49.837000 34.526000 3 9464 9470 9473 9471 9470 CH 96.410000 49.323000 34.869000 6 9469 9471 9474 9472 9471 C 96.411000 47.836000 34.780000 1 9470 9472 9475 9473 9472 O 95.474000 47.199000 35.219000 2 9471 9474 9473 H 94.660223 50.526690 35.133498 4 9469 9475 9474 CH3 96.706000 49.628000 36.288000 7 9470 9476 9475 N 97.461000 47.277000 34.234000 3 9471 9476 9479 9477 9476 CH 97.469000 45.852000 34.076000 6 9475 9477 9480 9478 9477 C 98.718000 45.155000 34.657000 1 9476 9478 9484 9479 9478 O 99.826000 45.213000 34.158000 2 9477 9480 9479 H 98.340433 47.773606 34.242995 4 9475 9481 9480 CH 97.242000 45.577000 32.571000 25 9476 9481 9482 9482 9481 O 95.996000 46.159000 32.172000 23 9480 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38.077000 11 9586 9590 9594 9590 9589 C 122.750000 46.639000 40.769000 11 9587 9591 9595 9591 9590 C 122.176000 45.426000 38.723000 11 9588 9591 9596 9592 9591 C 121.914000 45.761000 40.052000 26 9589 9590 9592 9593 9592 O 120.790000 45.229000 40.657000 76 9591 9597 9594 9593 H 124.564830 47.773715 40.667257 75 9587 9595 9594 H 123.539915 45.661369 37.060559 75 9588 9596 9595 H 122.568360 46.895644 41.812667 75 9589 9597 9596 H 121.516187 44.739413 38.192580 75 9590 9598 9597 H 120.336588 44.669141 40.007481 24 9592 9599 9598 N 127.836000 46.951000 36.588000 3 9582 9599 9602 9600 9599 CH 128.886000 47.515000 35.820000 6 9598 9600 9603 9601 9600 C 128.499000 48.954000 35.669000 1 9599 9601 9613 9602 9601 O 127.368000 49.235000 35.271000 2 9600 9603 9602 H 127.091564 46.484261 36.089935 4 9598 9604 9603 CH2 128.818000 46.981000 34.382000 66 9599 9604 9605 9604 C 129.120000 45.554000 34.195000 69 9603 9605 9606 9606 9605 N 130.388000 45.096000 34.379000 46 9604 9607 9609 9607 9606 C 128.319000 44.506000 33.865000 49 9604 9608 9610 9608 9607 C 130.358000 43.788000 34.080000 48 9605 9608 9611 9609 9608 N 129.127000 43.387000 33.768000 46 9606 9607 9612 9610 9609 H 131.213905 45.630733 34.647964 47 9605 9611 9610 H 127.245916 44.539678 33.676700 75 9606 9612 9611 H 131.249009 43.160662 34.105484 75 9607 9613 9612 H 128.853284 42.439966 33.506071 47 9608 9614 9613 N 129.416000 49.859000 35.948000 3 9600 9614 9617 9615 9614 CH2 129.096000 51.260000 35.789000 5 9613 9615 9616 9615 C 128.732000 51.895000 37.091000 1 9614 9616 9618 9617 9616 O 128.704000 53.110000 37.221000 2 9615 9618 9617 H 130.385829 49.579051 35.982075 4 9613 9619 9618 N 128.341000 51.065000 38.044000 3 9615 9619 9622 9620 9619 CH 128.046000 51.579000 39.376000 6 9618 9620 9623 9621 9620 C 129.353000 52.183000 39.931000 1 9619 9621 9624 9622 9621 O 130.433000 51.587000 39.791000 2 9620 9623 9622 H 128.497285 50.074289 37.924978 4 9618 9624 9623 CH3 127.608000 50.393000 40.216000 7 9619 9625 9624 N 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36.527000 1 9676 9678 9684 9679 9678 O 127.971000 57.916000 36.496000 2 9677 9680 9679 H 126.553641 57.799680 38.399426 4 9675 9681 9680 CH2 126.214000 54.968000 36.942000 16 9676 9681 9682 9681 C 124.946000 55.592000 36.442000 17 9680 9682 9683 9683 9682 O 123.971000 55.764000 37.130000 18 9681 9684 9683 O 124.984000 55.897000 35.179000 18 9681 9685 9684 N 128.803000 55.919000 35.734000 3 9677 9685 9688 9686 9685 CH 129.656000 56.610000 34.772000 6 9684 9686 9689 9687 9686 C 128.918000 57.272000 33.677000 1 9685 9687 9693 9688 9687 O 129.445000 58.119000 32.960000 2 9686 9689 9688 H 128.555612 54.954495 35.564797 4 9684 9690 9689 CH 130.710000 55.775000 34.140000 8 9685 9690 9691 9691 9690 CH2 130.121000 54.421000 33.970000 9 9689 9692 9692 9691 CH3 131.853000 55.629000 35.096000 7 9689 9693 9692 CH3 131.231000 53.406000 34.188000 10 9690 9694 9693 N 127.687000 56.870000 33.530000 3 9686 9694 9697 9695 9694 CH 126.913000 57.509000 32.500000 6 9693 9695 9698 9696 9695 C 126.507000 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126.729000 65.636000 30.154000 2 9730 9733 9732 H 127.647335 62.347417 32.397333 4 9728 9734 9733 CH2 125.173000 62.988000 31.519000 66 9729 9734 9735 9734 C 124.048000 63.725000 30.841000 50 9733 9735 9736 9736 9735 C 123.548000 63.628000 29.557000 45 9734 9737 9743 9737 9736 C 123.355000 64.766000 31.461000 68 9734 9738 9739 9738 9737 N 122.513000 64.521000 29.380000 40 9735 9738 9744 9739 9738 C 122.401000 65.245000 30.553000 67 9736 9737 9740 9740 9739 C 123.450000 65.256000 32.732000 11 9736 9741 9745 9741 9740 C 121.552000 66.246000 30.917000 11 9738 9742 9746 9742 9741 C 122.597000 66.235000 33.103000 11 9739 9742 9747 9743 9742 C 121.677000 66.735000 32.194000 11 9740 9741 9748 9744 9743 H 123.910946 62.958722 28.776977 75 9735 9745 9744 H 121.975181 64.653201 28.535385 41 9737 9746 9745 H 124.173028 64.863274 33.446910 75 9739 9747 9746 H 120.812684 66.673457 30.239658 75 9740 9748 9747 H 122.657260 66.657720 34.105884 75 9741 9749 9748 H 120.988710 67.525195 32.493915 75 9742 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37.532586 24 9761 9768 9767 N 130.128000 65.681000 31.476000 3 9751 9768 9771 9769 9768 CH 131.330000 66.089000 30.766000 6 9767 9769 9772 9770 9769 C 130.947000 66.524000 29.367000 1 9768 9770 9773 9771 9770 O 131.491000 67.451000 28.779000 2 9769 9772 9771 H 129.727538 64.774676 31.280279 4 9767 9773 9772 CH3 132.384000 64.998000 30.656000 7 9768 9774 9773 N 129.989000 65.807000 28.826000 3 9769 9774 9777 9775 9774 CH 129.557000 66.161000 27.514000 6 9773 9775 9778 9776 9775 C 129.069000 67.616000 27.494000 1 9774 9776 9785 9777 9776 O 129.435000 68.450000 26.654000 2 9775 9778 9777 H 129.357952 65.298522 29.428767 4 9773 9779 9778 CH2 128.395000 65.257000 27.158000 9 9774 9779 9780 9779 CH2 127.821000 65.666000 25.809000 9 9778 9780 9781 9780 C 128.253000 64.714000 24.730000 1 9779 9781 9782 9782 9781 O 128.869000 63.677000 25.019000 2 9780 9783 9782 N 127.821000 64.981000 23.511000 12 9780 9783 9784 9784 9783 H 127.234485 65.783707 23.332784 13 9782 9785 9784 H 128.073729 64.381856 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41 9794 9803 9802 H 125.676452 71.369382 27.070628 75 9796 9804 9803 H 121.225932 69.051415 27.026420 75 9797 9805 9804 H 123.930028 72.015719 25.451476 75 9798 9806 9805 H 121.705810 70.874491 25.448572 75 9799 9807 9806 N 129.631000 70.073000 29.498000 3 9787 9807 9810 9808 9807 CH 130.736000 70.971000 29.688000 6 9806 9808 9811 9809 9808 C 131.585000 71.090000 28.440000 1 9807 9809 9815 9810 9809 O 132.072000 72.161000 28.090000 2 9808 9811 9810 H 129.675978 69.148733 29.902731 4 9806 9812 9811 CH2 131.531000 70.401000 30.875000 9 9807 9812 9813 9812 CH 132.631000 71.279000 31.411000 8 9811 9813 9814 9814 9813 CH3 132.026000 72.402000 32.247000 7 9812 9815 9814 CH3 133.496000 70.362000 32.262000 7 9812 9816 9815 N 131.817000 69.976000 27.741000 3 9808 9816 9819 9817 9816 CH 132.634000 70.050000 26.518000 6 9815 9817 9820 9818 9817 C 131.938000 70.920000 25.447000 1 9816 9818 9823 9819 9818 O 132.540000 71.760000 24.780000 2 9817 9820 9819 H 131.216519 69.176060 27.881070 4 9815 9821 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9838 9839 9838 C 127.632000 75.016000 27.722000 50 9837 9839 9840 9840 9839 C 126.920000 74.222000 28.558000 45 9838 9841 9847 9841 9840 C 126.660000 75.654000 26.854000 68 9838 9842 9843 9842 9841 N 125.575000 74.329000 28.297000 40 9839 9842 9848 9843 9842 C 125.387000 75.193000 27.248000 67 9840 9841 9844 9844 9843 C 126.712000 76.580000 25.812000 11 9840 9845 9849 9845 9844 C 124.211000 75.640000 26.624000 11 9842 9846 9850 9846 9845 C 125.549000 76.989000 25.173000 11 9843 9846 9851 9847 9846 C 124.303000 76.534000 25.579000 11 9844 9845 9852 9848 9847 H 127.332546 73.562853 29.321826 75 9839 9849 9848 H 124.832028 73.842319 28.777867 41 9841 9850 9849 H 127.679226 76.951915 25.473986 75 9843 9851 9850 H 123.234930 75.278693 26.947799 75 9844 9852 9851 H 125.628514 77.696041 24.347246 75 9845 9853 9852 H 123.404747 76.869965 25.060957 75 9846 9854 9853 N 132.036000 74.654000 26.403000 3 9834 9854 9857 9855 9854 CH 133.357000 75.169000 26.272000 6 9853 9855 9858 9856 9855 C 133.676000 75.592000 24.843000 1 9854 9856 9862 9857 9856 O 134.254000 76.645000 24.563000 2 9855 9858 9857 H 131.895924 73.653994 26.381386 4 9853 9859 9858 CH 134.347000 74.124000 26.763000 25 9854 9859 9860 9860 9859 O 134.066000 73.847000 28.117000 23 9858 9861 9861 9860 CH3 135.749000 74.670000 26.683000 7 9858 9862 9861 H 134.687957 73.200842 28.398513 24 9859 9863 9862 N 133.337000 74.717000 23.935000 3 9855 9863 9866 9864 9863 CH 133.608000 74.962000 22.564000 6 9862 9864 9867 9865 9864 C 132.722000 76.087000 22.091000 1 9863 9865 9870 9866 9865 O 133.198000 77.068000 21.520000 2 9864 9867 9866 H 132.694417 73.978197 24.182702 4 9862 9868 9867 CH 133.483000 73.648000 21.848000 8 9863 9868 9869 9869 9868 CH3 133.465000 73.738000 20.333000 7 9867 9870 9869 CH3 134.590000 72.739000 22.361000 7 9867 9871 9870 N 131.421000 75.977000 22.375000 3 9864 9871 9874 9872 9871 CH 130.509000 76.991000 21.877000 6 9870 9872 9875 9873 9872 C 130.804000 78.440000 22.325000 1 9871 9873 9878 9874 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134.262156 82.411524 20.485242 4 9940 9946 9945 CH2 136.275000 84.072000 20.962000 9 9941 9946 9947 9946 CH2 136.022000 84.376000 22.441000 57 9945 9947 9948 9947 CH2 137.232000 83.908000 23.275000 56 9946 9948 9949 9948 N 137.251000 84.320000 24.696000 54 9947 9949 9952 9950 9949 C 137.695000 83.501000 25.666000 53 9948 9950 9951 9951 9950 N 138.093000 82.227000 25.436000 51 9949 9953 9954 9952 9951 N 137.722000 83.971000 26.906000 51 9949 9955 9956 9953 9952 H 136.918853 85.244230 24.931749 55 9948 9954 9953 H 138.080162 81.812318 24.515145 52 9950 9955 9954 H 138.415015 81.669793 26.214413 52 9950 9956 9955 H 137.424475 84.907931 27.137818 52 9951 9957 9956 H 138.052520 83.369724 27.647164 52 9951 9958 9957 N 135.479000 83.284000 17.980000 3 9942 9958 9961 9959 9958 CH 135.719000 83.281000 16.522000 6 9957 9959 9962 9960 9959 C 134.691000 84.152000 15.748000 1 9958 9960 9967 9961 9960 O 134.967000 84.745000 14.721000 2 9959 9962 9961 H 135.076320 82.464471 18.411650 4 9957 9963 9962 CH2 135.535000 81.849000 15.951000 9 9958 9963 9964 9963 CH2 136.799000 80.925000 15.994000 16 9962 9964 9965 9964 C 138.135000 81.551000 15.665000 17 9963 9965 9966 9966 9965 O 138.501000 81.934000 14.565000 18 9964 9967 9966 O 138.915000 81.515000 16.680000 18 9964 9968 9967 N 133.437000 84.183000 16.174000 3 9959 9968 9971 9969 9968 CH 132.476000 84.950000 15.404000 6 9967 9969 9972 9970 9969 C 132.757000 86.420000 15.436000 1 9968 9970 9976 9971 9970 O 132.186000 87.147000 14.638000 2 9969 9972 9971 H 133.245862 83.994897 17.147747 4 9967 9973 9972 CH2 131.038000 84.795000 15.853000 16 9968 9973 9974 9973 C 130.534000 83.411000 16.001000 17 9972 9974 9975 9975 9974 O 129.835000 83.142000 16.927000 18 9973 9976 9975 O 130.813000 82.585000 15.018000 18 9973 9977 9976 N 133.626000 86.823000 16.373000 3 9969 9977 9980 9978 9977 CH 133.938000 88.209000 16.588000 6 9976 9978 9981 9979 9978 C 135.241000 88.619000 15.952000 1 9977 9979 9993 9980 9979 O 135.873000 89.546000 16.449000 2 9978 9981 9980 H 134.078063 86.127316 16.948989 4 9976 9982 9981 CH2 134.122000 88.497000 18.069000 9 9977 9982 9983 9982 CH2 132.852000 88.878000 18.805000 57 9981 9983 9984 9983 CH2 132.880000 88.356000 20.242000 56 9982 9984 9985 9984 N 131.702000 88.684000 21.022000 54 9983 9985 9988 9986 9985 C 131.083000 87.763000 21.740000 53 9984 9986 9987 9987 9986 N 131.487000 86.489000 21.732000 51 9985 9989 9990 9988 9987 N 130.037000 88.125000 22.470000 51 9985 9991 9992 9989 9988 H 131.288729 89.598670 20.909369 55 9984 9990 9989 H 132.274385 86.172814 21.184139 52 9986 9991 9990 H 130.986399 85.816259 22.294955 52 9986 9992 9991 H 129.697167 89.075720 22.497279 52 9987 9993 9992 H 129.561431 87.423960 23.019979 52 9987 9994 9993 N 135.648000 87.937000 14.908000 3 9978 9994 9997 9995 9994 CH 136.824000 88.352000 14.198000 6 9993 9995 9998 9996 9995 C 136.560000 89.530000 13.247000 1 9994 9996 10010 9997 9996 O 137.505000 90.195000 12.871000 2 9995 9998 9997 H 135.007830 87.295399 14.462320 4 9993 9999 9998 CH2 137.581000 87.210000 13.550000 9 9994 9999 10000 9999 CH2 138.120000 86.204000 14.560000 57 9998 10000 10001 10000 CH2 139.105000 85.285000 13.856000 56 9999 10001 10002 10001 N 139.750000 84.403000 14.786000 54 10000 10002 10005 10003 10002 C 140.867000 84.641000 15.361000 53 10001 10003 10004 10004 10003 N 141.635000 85.751000 15.131000 51 10002 10006 10007 10005 10004 N 141.197000 83.667000 16.169000 51 10002 10008 10009 10006 10005 H 139.279102 83.534135 14.994396 55 10001 10007 10006 H 141.364710 86.471992 14.477384 52 10003 10008 10007 H 142.505015 85.853413 15.633679 52 10003 10009 10008 H 140.619281 82.848425 16.296578 52 10004 10010 10009 H 142.062313 83.735229 16.685408 52 10004 10011 10010 N 135.306000 89.820000 12.860000 3 9995 10011 10014 10012 10011 CH 135.105000 91.003000 12.011000 6 10010 10012 10015 10013 10012 C 134.102000 91.955000 12.653000 1 10011 10013 10020 10014 10013 O 133.102000 91.553000 13.182000 2 10012 10015 10014 H 134.531834 89.473658 13.408466 4 10010 10016 10015 CH2 134.558000 90.773000 10.579000 9 10011 10016 10017 10016 CH2 135.160000 89.591000 9.815000 16 10015 10017 10018 10017 C 136.217000 89.932000 8.802000 17 10016 10018 10019 10019 10018 O 136.498000 89.176000 7.918000 18 10017 10020 10019 O 136.789000 91.083000 8.996000 18 10017 10021 10020 N 134.350000 93.216000 12.623000 3 10012 10021 10024 10022 10021 CH2 133.327000 94.118000 13.124000 5 10020 10022 10023 10022 C 133.449000 94.507000 14.556000 1 10021 10023 10025 10024 10023 O 132.710000 95.363000 14.992000 2 10022 10025 10024 H 135.030999 93.565566 11.964104 4 10020 10026 10025 N 134.358000 93.825000 15.259000 3 10022 10026 10029 10027 10026 CH 134.640000 94.092000 16.647000 6 10025 10027 10030 10028 10027 C 135.985000 94.786000 16.737000 1 10026 10028 10043 10029 10028 O 136.888000 94.627000 15.889000 2 10027 10030 10029 H 134.871179 93.088345 14.796304 4 10025 10031 10030 CH2 134.570000 92.827000 17.500000 66 10026 10031 10032 10031 C 133.181000 92.249000 17.644000 11 10030 10032 10033 10033 10032 C 132.469000 92.456000 18.819000 11 10031 10034 10038 10034 10033 C 132.570000 91.490000 16.647000 11 10031 10035 10039 10035 10034 C 131.189000 91.932000 18.978000 11 10032 10036 10040 10036 10035 C 131.280000 90.978000 16.772000 11 10033 10036 10041 10037 10036 C 130.594000 91.186000 17.964000 26 10034 10035 10037 10038 10037 O 129.310000 90.703000 18.125000 76 10036 10042 10039 10038 H 132.912629 93.032595 19.630684 75 10032 10040 10039 H 133.096726 91.290914 15.713713 75 10033 10041 10040 H 130.641744 92.102139 19.905181 75 10034 10042 10041 H 130.846342 90.389837 15.963232 75 10035 10043 10042 H 129.055703 90.248961 17.306415 24 10037 10044 10043 N 136.116000 95.634000 17.737000 3 10027 10044 10049 10045 10044 CH 135.125000 95.862000 18.760000 14 10043 10045 10047 10046 10045 C 134.019000 96.833000 18.349000 1 10044 10046 10050 10047 10046 O 134.203000 97.710000 17.485000 2 10045 10048 10047 CH2 135.909000 96.451000 19.933000 9 10044 10048 10049 10048 CH2 137.179000 97.041000 19.321000 9 10047 10049 10050 10049 CH2 137.248000 96.578000 17.879000 15 10043 10048 10051 10050 N 132.879000 96.683000 19.030000 3 10045 10051 10054 10052 10051 CH 131.682000 97.467000 18.786000 6 10050 10052 10055 10053 10052 C 131.898000 98.984000 18.843000 1 10051 10053 10059 10054 10053 O 132.924000 99.481000 19.293000 2 10052 10055 10054 H 132.848490 95.982871 19.757316 4 10050 10056 10055 CH2 130.587000 97.043000 19.764000 9 10051 10056 10057 10056 CH 130.113000 95.594000 19.627000 8 10055 10057 10058 10058 10057 CH3 128.676000 95.471000 20.127000 7 10056 10059 10058 CH3 130.219000 95.056000 18.189000 7 10056 10060 10059 N 130.919000 99.753000 18.381000 3 10052 10060 10063 10061 10060 CH 131.019000 101.221000 18.396000 6 10059 10061 10064 10062 10061 C 129.912000 101.972000 19.154000 1 10060 10062 10067 10063 10062 O 128.747000 101.494000 19.230000 2 10061 10064 10063 H 130.044205 99.324500 18.114127 4 10059 10065 10064 CH 131.224000 101.845000 17.030000 8 10060 10065 10066 10066 10065 CH3 131.670000 100.793000 16.040000 7 10064 10067 10066 CH3 129.921000 102.515000 16.568000 7 10064 10068 10067 N 130.385000 103.141000 19.694000 3 10061 10068 10071 10069 10068 CH 129.774000 104.232000 20.498000 6 10067 10069 10072 10070 10069 C 130.902000 105.150000 21.100000 1 10068 10070 10077 10071 10070 O 132.089000 104.757000 21.044000 2 10069 10072 10071 H 131.364884 103.294335 19.503171 4 10067 10073 10072 CH2 128.676000 103.788000 21.505000 9 10068 10073 10074 10073 CH2 127.236000 103.890000 20.928000 16 10072 10074 10075 10074 C 126.144000 103.560000 21.918000 17 10073 10075 10076 10076 10075 O 125.153000 104.260000 22.073000 18 10074 10077 10076 O 126.344000 102.441000 22.564000 18 10074 10078 10077 N 130.563000 106.366000 21.645000 3 10069 10078 10083 10079 10078 CH 131.510000 107.398000 22.147000 14 10077 10079 10081 10080 10079 C 132.699000 107.083000 23.074000 1 10078 10080 10084 10081 10080 O 132.753000 106.113000 23.852000 2 10079 10082 10081 CH2 130.689000 108.508000 22.821000 9 10078 10082 10083 10082 CH2 129.228000 108.057000 22.819000 9 10081 10083 10084 10083 CH2 129.166000 106.703000 22.094000 15 10077 10082 10085 10084 N 133.629000 108.027000 22.954000 3 10079 10085 10088 10086 10085 CH 134.866000 108.116000 23.690000 6 10084 10086 10089 10087 10086 C 134.745000 109.302000 24.613000 1 10085 10087 10093 10088 10087 O 133.957000 110.220000 24.379000 2 10086 10089 10088 H 133.450283 108.755974 22.278162 4 10084 10090 10089 CH2 136.055000 108.435000 22.755000 9 10085 10090 10091 10090 CH 136.799000 107.228000 22.196000 8 10089 10091 10092 10092 10091 CH3 136.006000 106.643000 21.037000 7 10090 10093 10092 CH3 138.185000 107.641000 21.710000 7 10090 10094 10093 N 135.532000 109.274000 25.663000 3 10086 10094 10097 10095 10094 CH2 135.577000 110.397000 26.547000 5 10093 10095 10096 10095 C 136.658000 111.222000 25.909000 1 10094 10096 10098 10097 10096 O 137.002000 110.979000 24.751000 2 10095 10098 10097 H 136.276536 108.592472 25.698850 4 10093 10099 10098 N 137.210000 112.156000 26.636000 3 10095 10099 10102 10100 10099 CH 138.281000 112.927000 26.070000 6 10098 10100 10103 10101 10100 C 139.554000 112.102000 26.156000 1 10099 10101 10107 10102 10101 O 140.079000 111.614000 25.153000 2 10100 10103 10102 H 137.113223 112.115951 27.640555 4 10098 10104 10103 CH2 138.395000 114.268000 26.809000 9 10099 10104 10105 10104 CH 137.040000 114.967000 26.885000 8 10103 10105 10106 10106 10105 CH3 136.987000 115.916000 28.075000 7 10104 10107 10106 CH3 136.783000 115.730000 25.592000 7 10104 10108 10107 N 139.993000 111.932000 27.399000 3 10100 10108 10111 10109 10108 CH 141.175000 111.178000 27.773000 6 10107 10109 10112 10110 10109 C 140.891000 109.680000 27.758000 1 10108 10110 10115 10111 10110 O 141.796000 108.853000 27.883000 2 10109 10112 10111 H 139.461478 112.361918 28.142475 4 10107 10113 10112 CH 141.641000 111.612000 29.158000 8 10108 10113 10114 10114 10113 CH3 142.991000 110.997000 29.500000 7 10112 10115 10114 CH3 141.717000 113.131000 29.243000 7 10112 10116 10115 N 139.608000 109.361000 27.606000 3 10109 10116 10119 10117 10116 CH 139.102000 108.003000 27.569000 6 10115 10117 10120 10118 10117 C 139.582000 107.246000 26.340000 1 10116 10118 10128 10119 10118 O 138.854000 107.094000 25.360000 2 10117 10120 10119 H 138.942773 110.114904 27.510069 4 10115 10121 10120 CH2 137.582000 108.005000 27.647000 9 10116 10121 10122 10121 CH2 136.931000 106.630000 27.629000 9 10120 10122 10123 10122 CH2 135.413000 106.705000 27.705000 9 10121 10123 10124 10123 CH2 134.717000 105.419000 27.290000 19 10122 10124 10125 10124 N 133.317000 105.622000 26.885000 20 10123 10125 10126 10127 10126 10125 H 132.882551 104.717891 26.610336 21 10124 10127 10126 H 133.262756 106.272181 26.075109 21 10124 10128 10127 H 132.766119 106.026667 27.668821 21 10124 10129 10128 N 140.832000 106.789000 26.408000 3 10117 10129 10132 10130 10129 CH 141.472000 106.013000 25.359000 6 10128 10130 10133 10131 10130 C 141.381000 104.565000 25.781000 1 10129 10131 10137 10132 10131 O 141.143000 103.649000 24.993000 2 10130 10133 10132 H 141.367348 106.994508 27.239426 4 10128 10134 10133 CH2 142.958000 106.414000 25.228000 9 10129 10134 10135 10134 CH 143.768000 105.473000 24.341000 8 10133 10135 10136 10136 10135 CH3 143.457000 105.753000 22.877000 7 10134 10137 10136 CH3 145.261000 105.648000 24.600000 7 10134 10138 10137 N 141.570000 104.447000 27.093000 3 10130 10138 10141 10139 10138 CH 141.561000 103.247000 27.909000 6 10137 10139 10142 10140 10139 C 140.854000 102.045000 27.332000 1 10138 10140 10143 10141 10140 O 139.822000 102.141000 26.675000 2 10139 10142 10141 H 141.743282 105.310049 27.588197 4 10137 10143 10142 CH3 140.946000 103.568000 29.259000 7 10138 10144 10143 N 141.437000 100.900000 27.642000 3 10139 10144 10149 10145 10144 CH 140.878000 99.614000 27.240000 14 10143 10145 10147 10146 10145 C 139.588000 99.386000 28.053000 1 10144 10146 10150 10147 10146 O 139.516000 99.879000 29.192000 2 10145 10148 10147 CH2 141.948000 98.571000 27.650000 9 10144 10148 10149 10148 CH2 143.124000 99.302000 28.325000 9 10147 10149 10150 10149 CH2 142.797000 100.795000 28.285000 15 10143 10148 10151 10150 N 138.573000 98.697000 27.487000 3 10145 10151 10154 10152 10151 CH 137.329000 98.362000 28.205000 6 10150 10152 10155 10153 10152 C 137.357000 96.847000 28.484000 1 10151 10153 10160 10154 10153 O 137.310000 96.010000 27.585000 2 10152 10155 10154 H 138.670658 98.397353 26.527430 4 10150 10156 10155 CH2 136.059000 98.820000 27.459000 9 10151 10156 10157 10156 CH2 135.025000 99.566000 28.342000 16 10155 10157 10158 10157 C 133.923000 100.235000 27.552000 17 10156 10158 10159 10159 10158 O 133.295000 101.190000 27.988000 18 10157 10160 10159 O 133.671000 99.678000 26.394000 18 10157 10161 10160 N 137.548000 96.492000 29.732000 3 10152 10161 10164 10162 10161 CH 137.716000 95.121000 30.173000 6 10160 10162 10165 10163 10162 C 137.018000 94.049000 29.327000 1 10161 10163 10169 10164 10163 O 137.675000 93.217000 28.699000 2 10162 10165 10164 H 137.580134 97.220466 30.430859 4 10160 10166 10165 CH2 137.184000 95.044000 31.615000 16 10161 10166 10167 10166 C 138.273000 94.871000 32.612000 17 10165 10167 10168 10168 10167 O 138.199000 94.014000 33.441000 18 10166 10169 10168 O 139.221000 95.780000 32.559000 18 10166 10170 10169 N 135.674000 94.053000 29.369000 3 10162 10170 10173 10171 10170 CH2 134.861000 93.101000 28.622000 5 10169 10171 10172 10171 C 135.148000 93.010000 27.103000 1 10170 10172 10174 10173 10172 O 134.794000 92.023000 26.465000 2 10171 10174 10173 H 135.209028 94.743355 29.941111 4 10169 10175 10174 N 135.786000 94.023000 26.525000 3 10171 10175 10178 10176 10175 CH 136.104000 94.097000 25.108000 6 10174 10176 10179 10177 10176 C 137.270000 93.270000 24.648000 1 10175 10177 10186 10178 10177 O 137.339000 93.011000 23.457000 2 10176 10179 10178 H 136.069655 94.795157 27.111014 4 10174 10180 10179 CH2 136.370000 95.532000 24.644000 9 10175 10180 10181 10180 CH2 135.195000 96.461000 24.947000 9 10179 10181 10182 10181 C 134.962000 97.498000 23.857000 1 10180 10182 10183 10183 10182 O 134.499000 97.164000 22.742000 2 10181 10184 10183 N 135.273000 98.758000 24.174000 12 10181 10184 10185 10185 10184 H 135.639190 98.987924 25.086765 13 10183 10186 10185 H 135.144652 99.499467 23.500313 13 10183 10187 10186 N 138.184000 92.960000 25.571000 3 10176 10187 10190 10188 10187 CH 139.379000 92.157000 25.373000 6 10186 10188 10191 10189 10188 C 138.995000 90.693000 25.525000 1 10187 10189 10194 10190 10189 O 139.354000 89.829000 24.725000 2 10188 10191 10190 H 138.028930 93.320405 26.501678 4 10186 10192 10191 CH 140.350000 92.532000 26.504000 8 10187 10192 10193 10193 10192 CH3 141.542000 91.610000 26.645000 7 10191 10194 10193 CH3 140.822000 93.952000 26.332000 7 10191 10195 10194 N 138.254000 90.418000 26.596000 3 10188 10195 10198 10196 10195 CH 137.857000 89.046000 26.819000 6 10194 10196 10199 10197 10196 C 137.045000 88.447000 25.685000 1 10195 10197 10212 10198 10197 O 137.138000 87.249000 25.354000 2 10196 10199 10198 H 137.716364 91.158863 27.022814 4 10194 10200 10199 CH2 137.105000 88.843000 28.129000 66 10195 10200 10201 10200 C 137.710000 89.487000 29.368000 11 10199 10201 10202 10202 10201 C 139.087000 89.475000 29.645000 11 10200 10203 10207 10203 10202 C 136.865000 90.054000 30.332000 11 10200 10204 10208 10204 10203 C 139.569000 90.022000 30.839000 11 10201 10205 10209 10205 10204 C 137.329000 90.630000 31.503000 11 10202 10205 10210 10206 10205 C 138.708000 90.608000 31.758000 26 10203 10204 10206 10207 10206 O 139.184000 91.136000 32.930000 76 10205 10211 10208 10207 H 139.777260 88.988011 28.956173 75 10201 10209 10208 H 135.784440 90.031240 30.190680 75 10202 10210 10209 H 140.638138 90.011119 31.050957 75 10203 10211 10210 H 136.624407 91.056038 32.217241 75 10204 10212 10211 H 138.427496 91.468260 33.438139 24 10206 10213 10212 N 136.245000 89.279000 25.053000 3 10196 10213 10216 10214 10213 CH 135.417000 88.705000 24.038000 6 10212 10214 10217 10215 10214 C 136.102000 88.365000 22.743000 1 10213 10215 10222 10216 10215 O 135.548000 87.643000 21.925000 2 10214 10217 10216 H 136.509921 90.250693 24.977306 4 10212 10218 10217 CH2 134.181000 89.556000 23.795000 9 10213 10218 10219 10218 CH2 134.402000 90.765000 22.884000 16 10217 10219 10220 10219 C 133.158000 91.606000 22.877000 17 10218 10220 10221 10221 10220 O 133.003000 92.622000 22.216000 18 10219 10222 10221 O 132.237000 91.096000 23.664000 18 10219 10223 10222 N 137.279000 88.905000 22.498000 3 10214 10223 10226 10224 10223 CH 137.866000 88.639000 21.207000 6 10222 10224 10227 10225 10224 C 138.872000 87.524000 21.209000 1 10223 10225 10231 10226 10225 O 139.519000 87.288000 22.183000 2 10224 10227 10226 H 137.884506 89.132258 23.273768 4 10222 10228 10227 CH2 138.646000 89.862000 20.840000 9 10223 10228 10229 10228 CH 137.746000 91.062000 20.812000 8 10227 10229 10230 10230 10229 CH3 138.755000 92.119000 20.506000 7 10228 10231 10230 CH3 136.741000 90.928000 19.670000 7 10228 10232 10231 N 139.060000 86.854000 20.104000 3 10224 10232 10237 10233 10232 CH 140.067000 85.807000 20.132000 14 10231 10233 10235 10234 10233 C 141.477000 86.409000 19.886000 1 10232 10234 10238 10235 10234 O 141.674000 87.581000 19.672000 2 10233 10236 10235 CH2 139.686000 84.958000 18.892000 9 10232 10236 10237 10236 CH2 139.207000 85.977000 17.842000 9 10235 10237 10238 10237 CH2 138.666000 87.145000 18.684000 15 10231 10236 10239 10238 N 142.503000 85.596000 19.848000 3 10233 10239 10242 10240 10239 CH 143.808000 86.106000 19.468000 6 10238 10240 10243 10241 10240 C 143.839000 86.331000 17.983000 1 10239 10241 10256 10242 10241 O 143.255000 85.561000 17.204000 2 10240 10243 10242 H 142.337689 84.600185 19.814460 4 10238 10244 10243 CH2 144.859000 85.019000 19.663000 66 10239 10244 10245 10244 C 145.165000 85.039000 21.090000 11 10243 10245 10246 10246 10245 C 144.659000 84.064000 21.951000 11 10244 10247 10251 10247 10246 C 145.859000 86.138000 21.591000 11 10244 10248 10252 10248 10247 C 144.918000 84.150000 23.321000 11 10245 10249 10253 10249 10248 C 146.121000 86.245000 22.955000 11 10246 10249 10254 10250 10249 C 145.635000 85.250000 23.807000 26 10247 10248 10250 10251 10250 O 145.905000 85.362000 25.144000 76 10249 10255 10252 10251 H 144.023129 83.269301 21.560843 75 10245 10253 10252 H 146.155029 86.946547 20.922629 75 10246 10254 10253 H 144.525589 83.391641 23.998499 75 10247 10255 10254 H 146.664637 87.107976 23.339488 75 10248 10256 10255 H 146.424027 86.170378 25.278294 24 10250 10257 10256 N 144.603000 87.327000 17.606000 3 10240 10257 10262 10258 10257 CH 144.858000 87.626000 16.223000 14 10256 10258 10260 10259 10258 C 145.393000 86.394000 15.519000 1 10257 10259 10263 10260 10259 O 146.236000 85.666000 16.032000 2 10258 10261 10260 CH2 145.923000 88.729000 16.231000 9 10257 10261 10262 10261 CH2 146.112000 89.060000 17.705000 9 10260 10262 10263 10262 CH2 144.918000 88.475000 18.429000 15 10256 10261 10264 10263 N 144.887000 86.261000 14.312000 3 10258 10264 10267 10265 10264 CH 145.096000 85.254000 13.264000 6 10263 10265 10268 10266 10265 C 145.728000 85.967000 12.057000 1 10264 10266 10276 10267 10266 O 145.245000 87.059000 11.642000 2 10265 10268 10267 H 144.232400 86.987307 14.058865 4 10263 10269 10268 CH2 143.656000 84.992000 12.804000 9 10264 10269 10270 10269 CH2 143.338000 83.632000 12.257000 9 10268 10270 10271 10270 CH2 141.902000 83.544000 11.787000 9 10269 10271 10272 10271 CH2 141.708000 82.372000 10.809000 19 10270 10272 10273 10272 N 141.630000 81.100000 11.520000 20 10271 10273 10274 10275 10274 10273 H 141.498990 80.315584 10.849829 21 10272 10275 10274 H 140.829438 81.102308 12.183848 21 10272 10276 10275 H 142.503171 80.929708 12.058678 21 10272 10277 10276 N 146.767000 85.393000 11.479000 3 10265 10277 10280 10278 10277 CH 147.339000 86.015000 10.282000 6 10276 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82.878000 7.337000 11 10292 10296 10299 10296 10295 C 141.683000 85.111000 7.969000 11 10293 10296 10300 10297 10296 C 141.422000 83.738000 7.951000 11 10294 10295 10301 10298 10297 H 144.185551 82.680919 6.267074 75 10292 10299 10298 H 143.028977 86.659289 7.408573 75 10293 10300 10299 H 142.116379 81.809682 7.309902 75 10294 10301 10300 H 140.984101 85.806975 8.432961 75 10295 10302 10301 H 140.500081 83.352736 8.386589 75 10296 10303 10302 N 148.261000 84.243000 5.431000 3 10287 10303 10306 10304 10303 CH 149.213000 84.678000 4.429000 6 10302 10304 10307 10305 10304 C 148.593000 84.505000 3.050000 1 10303 10305 10310 10306 10305 O 148.247000 83.398000 2.642000 2 10304 10307 10306 H 147.860318 83.318822 5.357184 4 10302 10308 10307 CH 150.641000 84.194000 4.584000 8 10303 10308 10309 10309 10308 CH3 150.812000 83.448000 5.892000 7 10307 10310 10309 CH3 151.011000 83.251000 3.450000 7 10307 10311 10310 N 148.455000 85.606000 2.334000 3 10304 10311 10314 10312 10311 CH 147.752000 85.596000 1.090000 6 10310 10312 10315 10313 10312 C 148.472000 84.919000 -0.084000 1 10311 10313 10319 10314 10313 O 149.700000 84.867000 -0.124000 2 10312 10315 10314 H 148.985950 86.426216 2.589810 4 10310 10316 10315 CH2 147.068000 86.932000 0.787000 9 10311 10316 10317 10316 CH 146.489000 87.731000 1.966000 8 10315 10317 10318 10318 10317 CH3 146.136000 89.163000 1.466000 7 10316 10319 10318 CH3 145.163000 87.086000 2.347000 7 10316 10320 10319 N 147.691000 84.342000 -1.009000 3 10312 10320 10325 10321 10320 CH 148.223000 83.604000 -2.133000 14 10319 10321 10323 10322 10321 C 149.167000 84.386000 -3.013000 1 10320 10322 10326 10323 10322 O 150.207000 83.874000 -3.412000 2 10321 10324 10323 CH2 147.037000 83.150000 -2.980000 9 10320 10324 10325 10324 CH2 145.825000 83.853000 -2.433000 9 10323 10325 10326 10325 CH2 146.217000 84.342000 -1.049000 15 10319 10324 10327 10326 N 148.820000 85.623000 -3.343000 3 10321 10327 10330 10328 10327 CH 149.723000 86.370000 -4.207000 6 10326 10328 10331 10329 10328 C 150.501000 87.470000 -3.506000 1 10327 10329 10341 10330 10329 O 150.827000 88.495000 -4.123000 2 10328 10331 10330 H 148.185083 86.130009 -2.743065 4 10326 10332 10331 CH2 149.041000 86.903000 -5.461000 66 10327 10332 10333 10332 C 148.305000 85.829000 -6.163000 69 10331 10333 10334 10334 10333 N 148.980000 84.998000 -7.034000 46 10332 10335 10337 10335 10334 C 146.996000 85.434000 -6.076000 49 10332 10336 10338 10336 10335 C 148.092000 84.130000 -7.503000 48 10333 10336 10339 10337 10336 N 146.895000 84.351000 -6.939000 46 10334 10335 10340 10338 10337 H 149.964196 85.049959 -7.296792 47 10333 10339 10338 H 146.188621 85.851046 -5.474076 75 10334 10340 10339 H 148.325536 83.347086 -8.224531 75 10335 10341 10340 H 146.039656 83.826574 -7.122752 47 10336 10342 10341 N 150.791000 87.206000 -2.216000 3 10328 10342 10345 10343 10342 CH2 151.584000 88.055000 -1.358000 5 10341 10343 10344 10343 C 150.845000 89.091000 -0.550000 1 10342 10344 10346 10345 10344 O 149.888000 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90.006000 6.745000 6 10360 10362 10365 10363 10362 C 145.808000 89.495000 8.174000 1 10361 10363 10368 10364 10363 O 145.886000 88.277000 8.506000 2 10362 10365 10364 H 147.315722 88.421323 6.345398 4 10360 10366 10365 CH 144.728000 89.725000 5.932000 8 10361 10366 10367 10367 10366 CH3 143.524000 90.340000 6.638000 7 10365 10368 10367 CH3 144.895000 90.392000 4.576000 7 10365 10369 10368 N 145.597000 90.445000 9.056000 3 10362 10369 10372 10370 10369 CH 145.486000 90.027000 10.415000 6 10368 10370 10373 10371 10370 C 144.082000 90.343000 10.836000 1 10369 10371 10377 10372 10371 O 143.564000 91.389000 10.431000 2 10370 10373 10372 H 145.125879 91.289075 8.763284 4 10368 10374 10373 CH 146.625000 90.665000 11.264000 25 10369 10374 10375 10375 10374 O 147.883000 90.171000 10.836000 23 10373 10376 10376 10375 CH3 146.507000 90.262000 12.704000 7 10373 10377 10376 H 148.535276 90.581786 11.373950 24 10374 10378 10377 N 143.455000 89.406000 11.548000 3 10370 10378 10381 10379 10378 CH 142.104000 89.591000 12.093000 6 10377 10379 10382 10380 10379 C 142.082000 88.995000 13.471000 1 10378 10380 10385 10381 10380 O 142.710000 87.946000 13.719000 2 10379 10382 10381 H 143.929774 88.531273 11.719878 4 10377 10383 10382 CH 140.971000 88.910000 11.328000 8 10378 10383 10384 10384 10383 CH3 140.914000 89.343000 9.884000 7 10382 10385 10384 CH3 141.061000 87.377000 11.444000 7 10382 10386 10385 N 141.307000 89.619000 14.339000 3 10379 10386 10391 10387 10386 CH 140.538000 90.816000 14.022000 14 10385 10387 10389 10388 10387 C 141.426000 92.041000 14.101000 1 10386 10388 10392 10389 10388 O 142.510000 92.045000 14.687000 2 10387 10390 10389 CH2 139.568000 90.961000 15.203000 9 10386 10390 10391 10390 CH2 140.307000 90.354000 16.407000 9 10389 10391 10392 10391 CH2 141.215000 89.261000 15.794000 15 10385 10390 10393 10392 N 140.979000 93.128000 13.542000 3 10387 10393 10396 10394 10393 CH 141.845000 94.274000 13.674000 6 10392 10394 10397 10395 10394 C 141.022000 95.522000 13.570000 1 10393 10395 10409 10396 10395 O 139.913000 95.434000 13.042000 2 10394 10397 10396 H 139.981271 93.272647 13.481060 4 10392 10398 10397 CH2 142.890000 94.254000 12.599000 9 10393 10398 10399 10398 CH2 142.292000 94.805000 11.343000 57 10397 10399 10400 10399 CH2 143.192000 94.634000 10.152000 56 10398 10400 10401 10400 N 142.296000 94.475000 9.018000 54 10399 10401 10404 10402 10401 C 142.710000 94.238000 7.817000 53 10400 10402 10403 10403 10402 N 144.006000 94.142000 7.556000 51 10401 10405 10406 10404 10403 N 141.808000 94.114000 6.875000 51 10401 10407 10408 10405 10404 H 141.303868 94.555726 9.189048 55 10400 10406 10405 H 144.712622 94.247723 8.269868 52 10402 10407 10406 H 144.298845 93.956074 6.607436 52 10402 10408 10407 H 140.818041 94.196750 7.057304 52 10403 10409 10408 H 142.113377 93.928599 5.930293 52 10403 10410 10409 N 141.575000 96.640000 14.073000 3 10394 10410 10413 10411 10410 CH 140.916000 97.954000 14.069000 6 10409 10411 10414 10412 10411 C 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10426 10428 10431 10429 10428 C 137.847000 99.843000 11.025000 1 10427 10429 10443 10430 10429 O 136.696000 99.425000 10.821000 2 10428 10431 10430 H 138.728064 98.283432 12.940499 4 10426 10432 10431 CH2 138.594000 97.540000 10.184000 9 10427 10432 10433 10432 CH2 138.977000 97.245000 8.702000 57 10431 10433 10434 10433 CH2 138.744000 95.774000 8.429000 56 10432 10434 10435 10434 N 138.481000 95.262000 7.063000 54 10433 10435 10438 10436 10435 C 138.204000 95.921000 5.936000 53 10434 10436 10437 10437 10436 N 138.199000 97.251000 5.919000 51 10435 10439 10440 10438 10437 N 137.952000 95.210000 4.796000 51 10435 10441 10442 10439 10438 H 138.519415 94.256037 6.981377 55 10434 10440 10439 H 138.399966 97.804961 6.739268 52 10436 10441 10440 H 137.986242 97.725749 5.053294 52 10436 10442 10441 H 137.966967 94.200405 4.771640 52 10437 10443 10442 H 137.742805 95.712645 3.945303 52 10437 10444 10443 N 138.095000 101.129000 11.385000 3 10428 10444 10449 10445 10444 CH 137.006000 102.117000 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10512 10511 CH2 125.929000 112.569000 1.780000 9 10510 10512 10513 10512 CH2 125.396000 113.387000 0.612000 9 10511 10513 10514 10513 CH2 126.338000 114.498000 0.184000 19 10512 10514 10515 10514 N 125.819000 115.288000 -0.942000 20 10513 10515 10516 10517 10516 10515 H 126.492574 116.036148 -1.203101 21 10514 10517 10516 H 124.914611 115.734104 -0.687694 21 10514 10518 10517 H 125.664083 114.680894 -1.772074 21 10514 10519 10518 N 123.666000 110.617000 5.608000 3 10507 10519 10522 10520 10519 CH 122.544000 110.143000 6.399000 6 10518 10520 10523 10521 10520 C 122.290000 110.982000 7.663000 1 10519 10521 10527 10522 10521 O 123.210000 111.477000 8.293000 2 10520 10523 10522 H 124.448495 111.012903 6.109061 4 10518 10524 10523 CH2 122.929000 108.738000 6.903000 9 10519 10524 10525 10524 CH 122.765000 107.673000 5.849000 8 10523 10525 10526 10526 10525 CH3 123.539000 106.447000 6.312000 7 10524 10527 10526 CH3 121.270000 107.383000 5.721000 7 10524 10528 10527 N 121.030000 111.081000 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109.876000 17.068000 17 10559 10561 10562 10562 10561 O 112.584000 109.748000 18.281000 18 10560 10563 10562 O 111.371000 110.179000 16.428000 18 10560 10564 10563 N 115.313000 110.602000 18.394000 3 10556 10564 10567 10565 10564 CH2 116.136000 110.536000 19.602000 5 10563 10565 10566 10565 C 116.691000 109.136000 19.929000 1 10564 10566 10568 10567 10566 O 117.887000 109.050000 20.290000 2 10565 10568 10567 H 114.313181 110.688346 18.508042 4 10563 10569 10568 N 115.823000 108.070000 19.816000 3 10565 10569 10572 10570 10569 CH 116.181000 106.678000 20.130000 6 10568 10570 10573 10571 10570 C 117.616000 106.293000 19.636000 1 10569 10571 10585 10572 10571 O 118.069000 106.548000 18.482000 2 10570 10573 10572 H 114.882809 108.256748 19.497778 4 10568 10574 10573 CH2 115.078000 105.670000 19.669000 66 10569 10574 10575 10574 C 115.040000 104.286000 20.321000 11 10573 10575 10576 10576 10575 C 114.163000 103.315000 19.841000 11 10574 10577 10580 10577 10576 C 115.835000 103.971000 21.422000 11 10574 10578 10581 10578 10577 C 114.089000 102.043000 20.423000 11 10575 10579 10582 10579 10578 C 115.775000 102.704000 22.018000 11 10576 10579 10583 10580 10579 C 114.901000 101.746000 21.514000 11 10577 10578 10584 10581 10580 H 113.505088 103.541704 19.002038 75 10575 10582 10581 H 116.506883 104.719958 21.841207 75 10576 10583 10582 H 113.393972 101.302305 20.027517 75 10577 10584 10583 H 116.404316 102.476040 22.878288 75 10578 10585 10584 H 114.850250 100.758975 21.973680 75 10579 10586 10585 N 118.372000 105.628000 20.512000 3 10570 10586 10589 10587 10586 CH 119.661000 105.175000 20.039000 6 10585 10587 10590 10588 10587 C 119.433000 104.141000 18.933000 1 10586 10588 10595 10589 10588 O 120.304000 103.888000 18.111000 2 10587 10590 10589 H 117.922866 105.126612 21.264986 4 10585 10591 10590 CH2 120.635000 104.671000 21.135000 9 10586 10591 10592 10591 CH2 120.357000 103.237000 21.632000 16 10590 10592 10593 10592 C 121.243000 102.805000 22.757000 17 10591 10593 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117.126000 106.705000 11.938000 2 10608 10611 10610 CH2 115.784000 103.809000 10.719000 9 10607 10611 10612 10611 CH2 114.390000 104.122000 11.283000 9 10610 10612 10613 10612 CH2 114.579000 104.177000 12.813000 15 10606 10611 10614 10613 N 118.068000 105.627000 10.186000 3 10608 10614 10617 10615 10614 CH 118.754000 106.765000 9.576000 6 10613 10615 10618 10616 10615 C 118.138000 107.033000 8.237000 1 10614 10616 10622 10617 10616 O 117.556000 106.130000 7.600000 2 10615 10618 10617 H 118.156357 104.733909 9.722662 4 10613 10619 10618 CH2 120.260000 106.498000 9.257000 9 10614 10619 10620 10619 CH 121.144000 106.091000 10.453000 8 10618 10620 10621 10621 10620 CH3 122.464000 105.484000 9.946000 7 10619 10622 10621 CH3 121.474000 107.323000 11.293000 7 10619 10623 10622 N 118.328000 108.265000 7.788000 3 10615 10623 10626 10624 10623 CH 117.747000 108.568000 6.531000 6 10622 10624 10627 10625 10624 C 118.714000 109.191000 5.568000 1 10623 10625 10634 10626 10625 O 119.467000 110.075000 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120.080000 113.028000 2.872000 6 10641 10643 10646 10644 10643 C 120.285000 113.465000 1.427000 1 10642 10644 10650 10645 10644 O 119.991000 114.592000 1.075000 2 10643 10646 10645 H 121.135045 111.177267 2.766452 4 10641 10647 10646 CH 120.968000 113.848000 3.835000 25 10642 10647 10648 10648 10647 O 122.325000 113.930000 3.364000 23 10646 10649 10649 10648 CH3 120.888000 113.214000 5.233000 7 10646 10650 10649 H 122.802639 114.438559 3.993944 24 10647 10651 10650 N 120.798000 112.570000 0.587000 3 10643 10651 10654 10652 10651 CH2 121.034000 112.881000 -0.809000 5 10650 10652 10653 10652 C 120.340000 111.865000 -1.673000 1 10651 10653 10655 10654 10653 O 119.190000 111.489000 -1.388000 2 10652 10655 10654 H 120.949683 111.625358 0.910641 4 10650 10656 10655 N 121.066000 111.470000 -2.717000 3 10652 10656 10659 10657 10656 CH 120.656000 110.417000 -3.589000 6 10655 10657 10660 10658 10657 C 121.454000 109.239000 -3.076000 1 10656 10658 10666 10659 10658 O 122.640000 109.117000 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10678 10676 10675 C 123.902000 105.916000 -5.074000 1 10674 10676 10682 10677 10676 O 124.889000 105.198000 -5.157000 2 10675 10678 10677 H 121.259008 107.058083 -4.208445 4 10673 10679 10678 CH2 121.749000 105.328000 -6.155000 9 10674 10679 10680 10679 CH 120.363000 104.695000 -5.988000 8 10678 10680 10681 10681 10680 CH3 119.764000 104.312000 -7.363000 7 10679 10682 10681 CH3 120.501000 103.444000 -5.109000 7 10679 10683 10682 N 123.958000 107.207000 -5.241000 3 10675 10683 10686 10684 10683 CH 125.220000 107.828000 -5.484000 6 10682 10684 10687 10685 10684 C 126.054000 107.886000 -4.214000 1 10683 10685 10690 10686 10685 O 127.250000 107.507000 -4.216000 2 10684 10687 10686 H 123.185194 107.775546 -4.925365 4 10682 10688 10687 CH 124.978000 109.176000 -6.111000 8 10683 10688 10689 10689 10688 CH3 126.288000 109.924000 -6.301000 7 10687 10690 10689 CH3 124.259000 108.956000 -7.436000 7 10687 10691 10690 N 125.395000 108.302000 -3.121000 3 10684 10691 10694 10692 10691 CH 126.075000 108.426000 -1.826000 6 10690 10692 10695 10693 10692 C 126.492000 107.087000 -1.187000 1 10691 10693 10699 10694 10693 O 127.288000 107.030000 -0.241000 2 10692 10695 10694 H 124.388166 108.374627 -3.154312 4 10690 10696 10695 CH2 125.179000 109.163000 -0.840000 16 10691 10696 10697 10696 C 124.764000 110.529000 -1.255000 17 10695 10697 10698 10698 10697 O 123.697000 111.002000 -0.887000 18 10696 10699 10698 O 125.708000 111.161000 -1.917000 18 10696 10700 10699 N 125.970000 105.994000 -1.748000 3 10692 10700 10703 10701 10700 CH 126.240000 104.653000 -1.264000 6 10699 10701 10704 10702 10701 C 125.937000 104.400000 0.245000 1 10700 10702 10705 10703 10702 O 126.822000 104.065000 1.065000 2 10701 10704 10703 H 125.359772 106.105414 -2.545062 4 10699 10705 10704 CH3 127.497000 104.031000 -1.854000 7 10700 10706 10705 N 124.645000 104.598000 0.616000 3 10701 10706 10709 10707 10706 CH 124.177000 104.361000 1.971000 6 10705 10707 10710 10708 10707 C 123.047000 103.330000 1.997000 1 10706 10708 10713 10709 10708 O 122.403000 103.113000 0.961000 2 10707 10710 10709 H 123.984916 104.922198 -0.076304 4 10705 10711 10710 CH 123.810000 105.650000 2.671000 8 10706 10711 10712 10712 10711 CH3 125.042000 106.561000 2.836000 7 10710 10713 10712 CH3 122.661000 106.353000 1.945000 7 10710 10714 10713 N 122.785000 102.660000 3.152000 3 10707 10714 10717 10715 10714 CH2 121.709000 101.646000 3.233000 5 10713 10715 10716 10715 C 121.989000 100.551000 2.207000 1 10714 10716 10718 10717 10716 O 123.139000 100.273000 1.945000 2 10715 10718 10717 H 123.257858 102.940933 3.999102 4 10713 10719 10718 N 120.990000 99.932000 1.607000 3 10715 10719 10724 10720 10719 CH 121.237000 98.849000 0.679000 14 10718 10720 10722 10721 10720 C 122.249000 99.077000 -0.407000 1 10719 10721 10725 10722 10721 O 122.719000 98.110000 -1.020000 2 10720 10723 10722 CH2 119.906000 98.543000 0.027000 9 10719 10723 10724 10723 CH2 118.904000 99.571000 0.516000 9 10722 10724 10725 10724 CH2 119.540000 100.264000 1.684000 15 10718 10723 10726 10725 N 122.588000 100.352000 -0.640000 3 10720 10726 10729 10727 10726 CH 123.522000 100.799000 -1.712000 6 10725 10727 10730 10728 10727 C 124.990000 100.981000 -1.276000 1 10726 10728 10731 10729 10728 O 125.800000 101.501000 -2.019000 2 10727 10730 10729 H 122.181504 101.061112 -0.046687 4 10725 10731 10730 CH3 122.982000 102.135000 -2.238000 7 10726 10732 10731 N 125.314000 100.481000 -0.062000 3 10727 10732 10735 10733 10732 CH 126.605000 100.529000 0.615000 6 10731 10733 10736 10734 10733 C 127.637000 99.530000 0.190000 1 10732 10734 10739 10735 10734 O 127.353000 98.384000 -0.116000 2 10733 10736 10735 H 124.569434 100.016596 0.438050 4 10731 10737 10736 CH2 126.410000 100.229000 2.072000 22 10732 10737 10738 10737 O 125.480000 101.135000 2.614000 23 10736 10738 10739 10738 H 125.384204 100.917017 3.523344 24 10737 10740 10739 N 128.876000 99.950000 0.239000 3 10733 10740 10743 10741 10740 CH 129.910000 98.997000 -0.033000 6 10739 10741 10744 10742 10741 C 130.840000 98.904000 1.164000 1 10740 10742 10757 10743 10742 O 130.855000 99.708000 2.083000 2 10741 10744 10743 H 129.095067 100.765377 0.793319 4 10739 10745 10744 CH2 130.662000 99.167000 -1.352000 66 10740 10745 10746 10745 C 131.178000 100.571000 -1.390000 11 10744 10746 10747 10747 10746 C 130.348000 101.636000 -1.735000 11 10745 10748 10752 10748 10747 C 132.473000 100.852000 -0.933000 11 10745 10749 10753 10749 10748 C 130.789000 102.953000 -1.678000 11 10746 10750 10754 10750 10749 C 132.917000 102.159000 -0.829000 11 10747 10750 10755 10751 10750 C 132.080000 103.209000 -1.193000 26 10748 10749 10751 10752 10751 O 132.547000 104.498000 -1.092000 76 10750 10756 10753 10752 H 129.302430 101.453838 -1.983396 75 10746 10754 10753 H 133.102393 100.048363 -0.550728 75 10747 10755 10754 H 130.116666 103.765308 -1.954084 75 10748 10756 10755 H 133.926171 102.365012 -0.472304 75 10749 10757 10756 H 133.456469 104.461902 -0.756645 24 10751 10758 10757 N 131.578000 97.866000 1.114000 3 10741 10758 10761 10759 10758 CH 132.529000 97.555000 2.075000 6 10757 10759 10762 10760 10759 C 133.783000 98.203000 1.561000 1 10758 10760 10763 10761 10760 O 133.878000 98.550000 0.381000 2 10759 10762 10761 H 131.464338 97.236040 0.332763 4 10757 10763 10762 CH3 132.673000 96.041000 2.011000 7 10758 10764 10763 N 134.727000 98.415000 2.444000 3 10759 10764 10767 10765 10764 CH 135.970000 98.961000 1.963000 6 10763 10765 10768 10766 10765 C 136.790000 97.771000 1.619000 1 10764 10766 10773 10767 10766 O 137.581000 97.289000 2.414000 2 10765 10768 10767 H 134.726386 97.878632 3.299809 4 10763 10769 10768 CH2 136.741000 99.836000 2.947000 9 10764 10769 10770 10769 CH2 135.850000 100.694000 3.841000 16 10768 10770 10771 10770 C 135.475000 101.956000 3.124000 17 10769 10771 10772 10772 10771 O 136.197000 102.498000 2.298000 18 10770 10773 10772 O 134.268000 102.379000 3.443000 18 10770 10774 10773 N 136.508000 97.239000 0.462000 3 10765 10774 10777 10775 10774 CH 137.267000 96.093000 -0.011000 6 10773 10775 10778 10776 10775 C 138.589000 96.635000 -0.550000 1 10774 10776 10790 10777 10776 O 138.792000 97.834000 -0.740000 2 10775 10778 10777 H 135.956822 97.767807 -0.198807 4 10773 10779 10778 CH2 136.490000 95.259000 -1.051000 9 10774 10779 10780 10779 CH2 135.197000 94.632000 -0.522000 57 10778 10780 10781 10780 CH2 134.909000 93.271000 -1.142000 56 10779 10781 10782 10781 N 135.806000 92.170000 -0.817000 54 10780 10782 10785 10783 10782 C 135.578000 90.968000 -1.345000 53 10781 10783 10784 10784 10783 N 134.520000 90.757000 -2.113000 51 10782 10786 10787 10785 10784 N 136.370000 89.951000 -1.103000 51 10782 10788 10789 10786 10785 H 136.410415 92.262039 -0.013066 55 10781 10787 10786 H 133.852176 91.483460 -2.328330 52 10783 10788 10787 H 134.374677 89.834822 -2.498447 52 10783 10789 10788 H 137.184389 90.026393 -0.510390 52 10784 10790 10789 H 136.158151 89.058136 -1.524917 52 10784 10791 10790 N 139.556000 95.773000 -0.708000 3 10775 10791 10794 10792 10791 CH 140.872000 96.184000 -1.172000 6 10790 10792 10795 10793 10792 C 140.893000 96.767000 -2.589000 1 10791 10793 10796 10794 10793 O 140.173000 96.341000 -3.475000 2 10792 10795 10794 H 139.351658 94.787332 -0.625525 4 10790 10796 10795 CH3 141.696000 94.924000 -1.122000 7 10791 10797 10796 N 141.709000 97.757000 -2.874000 3 10792 10797 10800 10798 10797 CH 141.678000 98.206000 -4.268000 6 10796 10798 10801 10799 10798 C 142.533000 97.327000 -5.152000 1 10797 10799 10806 10800 10799 O 143.458000 97.809000 -5.781000 2 10798 10801 10800 H 142.565838 97.852251 -2.347829 4 10796 10802 10801 CH2 141.935000 99.701000 -4.527000 9 10797 10802 10803 10802 CH2 140.700000 100.521000 -4.129000 16 10801 10803 10804 10803 C 139.757000 100.881000 -5.254000 17 10802 10804 10805 10805 10804 O 139.640000 100.238000 -6.299000 18 10803 10806 10805 O 139.061000 101.972000 -4.972000 18 10803 10807 10806 N 142.229000 96.023000 -5.162000 3 10798 10807 10810 10808 10807 CH 142.981000 95.098000 -5.997000 6 10806 10808 10811 10809 10808 C 142.132000 94.212000 -6.874000 1 10807 10809 10814 10810 10809 O 141.004000 93.874000 -6.544000 2 10808 10811 10810 H 141.348974 95.722336 -4.767976 4 10806 10812 10811 CH 143.976000 94.186000 -5.300000 8 10807 10812 10813 10813 10812 CH3 144.825000 94.858000 -4.249000 7 10811 10814 10813 CH3 143.290000 92.941000 -4.823000 7 10811 10815 10814 N 142.735000 93.811000 -7.981000 3 10808 10815 10818 10816 10815 CH 142.088000 92.905000 -8.897000 6 10814 10816 10819 10817 10816 C 142.179000 91.546000 -8.238000 1 10815 10817 10822 10818 10817 O 143.215000 91.196000 -7.669000 2 10816 10819 10818 H 143.716085 94.015860 -8.105919 4 10814 10820 10819 CH 142.827000 92.898000 -10.231000 8 10815 10820 10821 10821 10820 CH3 142.427000 91.751000 -11.153000 7 10819 10822 10821 CH3 142.596000 94.216000 -10.948000 7 10819 10823 10822 N 141.078000 90.795000 -8.247000 3 10816 10823 10826 10824 10823 CH 141.111000 89.482000 -7.655000 6 10822 10824 10827 10825 10824 C 141.842000 88.611000 -8.655000 1 10823 10825 10831 10826 10825 O 141.648000 88.735000 -9.862000 2 10824 10827 10826 H 140.335353 91.022513 -8.892611 4 10822 10828 10827 CH2 139.680000 89.063000 -7.405000 16 10823 10828 10829 10828 C 139.436000 87.771000 -6.675000 17 10827 10829 10830 10830 10829 O 138.322000 87.240000 -6.733000 18 10828 10831 10830 O 140.486000 87.299000 -5.995000 18 10828 10832 10831 N 142.731000 87.763000 -8.194000 3 10824 10832 10835 10833 10832 CH 143.482000 87.014000 -9.179000 6 10831 10833 10836 10834 10833 C 143.068000 85.571000 -9.272000 1 10832 10834 10837 10835 10834 O 142.464000 85.067000 -8.338000 2 10833 10836 10835 H 142.599461 87.367526 -7.274001 4 10831 10837 10836 CH3 144.890000 87.027000 -8.663000 7 10832 10838 10837 N 143.468000 84.935000 -10.383000 3 10833 10838 10841 10839 10838 CH 143.370000 83.511000 -10.607000 6 10837 10839 10842 10840 10839 C 144.532000 82.896000 -9.850000 1 10838 10840 10846 10841 10840 O 145.381000 83.616000 -9.409000 2 10839 10842 10841 H 143.869291 85.495580 -11.121116 4 10837 10843 10842 CH 143.530000 83.031000 -12.049000 25 10838 10843 10844 10844 10843 O 144.654000 83.639000 -12.616000 23 10842 10845 10845 10844 CH3 142.298000 83.217000 -12.910000 7 10842 10846 10845 H 144.720444 83.321681 -13.498323 24 10843 10847 10846 N 144.615000 81.564000 -9.765000 3 10839 10847 10850 10848 10847 CH 145.687000 80.899000 -9.032000 6 10846 10848 10851 10849 10848 C 147.041000 81.148000 -9.678000 1 10847 10849 10854 10850 10849 O 148.089000 81.148000 -9.019000 2 10848 10851 10850 H 143.913106 81.000282 -10.222893 4 10846 10852 10851 CH 145.329000 79.432000 -8.908000 8 10847 10852 10853 10853 10852 CH3 145.046000 78.799000 -10.265000 7 10851 10854 10853 CH3 146.375000 78.649000 -8.152000 7 10851 10855 10854 N 146.940000 81.428000 -10.987000 3 10848 10855 10858 10856 10855 CH 147.984000 81.725000 -11.962000 6 10854 10856 10859 10857 10856 C 148.667000 83.048000 -11.819000 1 10855 10857 10863 10858 10857 O 149.775000 83.227000 -12.323000 2 10856 10859 10858 H 145.998422 81.433976 -11.352370 4 10854 10860 10859 CH2 147.273000 81.893000 -13.284000 16 10855 10860 10861 10860 C 147.474000 80.603000 -13.872000 17 10859 10861 10862 10862 10861 O 147.923000 79.730000 -13.143000 18 10860 10863 10862 O 147.225000 80.569000 -15.176000 18 10860 10864 10863 N 147.926000 83.977000 -11.231000 3 10856 10864 10867 10865 10864 CH2 148.374000 85.333000 -11.027000 5 10863 10865 10866 10865 C 147.751000 86.275000 -12.012000 1 10864 10866 10868 10867 10866 O 148.055000 87.450000 -11.908000 2 10865 10868 10867 H 147.002639 83.722867 -10.910188 4 10863 10869 10868 N 146.936000 85.744000 -12.954000 3 10865 10869 10872 10870 10869 CH 146.207000 86.549000 -13.981000 6 10868 10870 10873 10871 10870 C 144.919000 87.165000 -13.365000 1 10869 10871 10881 10872 10871 O 144.510000 86.754000 -12.300000 2 10870 10873 10872 H 146.813035 84.741556 -12.963250 4 10868 10874 10873 CH2 145.833000 85.713000 -15.240000 9 10869 10874 10875 10874 CH2 147.007000 85.106000 -15.996000 9 10873 10875 10876 10875 CH2 146.626000 84.053000 -17.044000 9 10874 10876 10877 10876 CH2 147.851000 83.311000 -17.576000 19 10875 10877 10878 10877 N 147.525000 82.214000 -18.501000 20 10876 10878 10879 10880 10879 10878 H 148.392996 81.745544 -18.830744 21 10877 10880 10879 H 147.012102 82.576741 -19.329827 21 10877 10881 10880 H 146.927834 81.505149 -18.029278 21 10877 10882 10881 N 144.242000 88.146000 -14.003000 3 10870 10882 10885 10883 10882 CH 142.995000 88.688000 -13.453000 6 10881 10883 10886 10884 10883 C 141.863000 87.679000 -13.537000 1 10882 10884 10887 10885 10884 O 141.712000 87.104000 -14.600000 2 10883 10886 10885 H 144.509799 88.392975 -14.945012 4 10881 10887 10886 CH3 142.550000 89.877000 -14.281000 7 10882 10888 10887 N 141.063000 87.480000 -12.480000 3 10883 10888 10891 10889 10888 CH 139.975000 86.490000 -12.470000 6 10887 10889 10892 10890 10889 C 138.777000 86.911000 -13.305000 1 10888 10890 10900 10891 10890 O 138.195000 86.145000 -14.078000 2 10889 10892 10891 H 141.214480 88.036393 -11.650795 4 10887 10893 10892 CH2 139.482000 86.279000 -11.019000 9 10888 10893 10894 10893 CH2 138.660000 85.013000 -10.646000 9 10892 10894 10895 10894 CH2 138.064000 85.140000 -9.208000 9 10893 10895 10896 10895 CH2 138.990000 84.623000 -8.113000 19 10894 10896 10897 10896 N 138.230000 84.291000 -6.902000 20 10895 10897 10898 10899 10898 10897 H 138.865777 83.938870 -6.158096 21 10896 10899 10898 H 137.523347 83.555629 -7.105646 21 10896 10900 10899 H 137.735112 85.131350 -6.540757 21 10896 10901 10900 N 138.376000 88.144000 -13.124000 3 10889 10901 10904 10902 10901 CH 137.148000 88.560000 -13.775000 6 10900 10902 10905 10903 10902 C 137.391000 89.618000 -14.789000 1 10901 10903 10909 10904 10903 O 137.694000 90.779000 -14.468000 2 10902 10905 10904 H 139.053538 88.845835 -12.862333 4 10900 10906 10905 CH 136.196000 89.042000 -12.689000 8 10901 10906 10907 10907 10906 CH2 136.107000 87.972000 -11.577000 9 10905 10908 10908 10907 CH3 134.832000 89.363000 -13.264000 7 10905 10909 10908 CH3 135.339000 88.508000 -10.367000 10 10906 10910 10909 N 137.243000 89.156000 -16.017000 3 10902 10910 10913 10911 10910 CH 137.502000 89.947000 -17.183000 6 10909 10911 10914 10912 10911 C 136.460000 89.759000 -18.250000 1 10910 10912 10917 10913 10912 O 135.753000 88.778000 -18.261000 2 10911 10914 10913 H 136.933410 88.202490 -16.139770 4 10909 10915 10914 CH 138.810000 89.425000 -17.757000 8 10910 10915 10916 10916 10915 CH3 139.896000 89.432000 -16.672000 7 10914 10917 10916 CH3 138.589000 87.995000 -18.268000 7 10914 10918 10917 N 136.381000 90.697000 -19.170000 3 10911 10918 10923 10919 10918 CH 135.426000 90.635000 -20.248000 14 10917 10919 10921 10920 10919 C 135.834000 89.568000 -21.232000 1 10918 10920 10924 10921 10920 O 136.990000 89.172000 -21.274000 2 10919 10922 10921 CH2 135.499000 91.965000 -20.947000 9 10918 10922 10923 10922 CH2 136.766000 92.642000 -20.487000 9 10921 10923 10924 10923 CH2 137.283000 91.855000 -19.290000 15 10917 10922 10925 10924 N 134.871000 89.111000 -22.021000 3 10919 10925 10928 10926 10925 CH 135.072000 88.077000 -23.002000 6 10924 10926 10929 10927 10926 C 136.058000 88.572000 -23.998000 1 10925 10927 10933 10928 10927 O 136.908000 87.832000 -24.493000 2 10926 10929 10928 H 133.947596 89.509619 -21.928656 4 10924 10930 10929 CH2 133.756000 87.664000 -23.661000 9 10925 10930 10931 10930 CH 133.071000 86.539000 -22.914000 8 10929 10931 10932 10932 10931 CH3 131.874000 86.029000 -23.685000 7 10930 10933 10932 CH3 134.051000 85.418000 -22.708000 7 10930 10934 10933 N 135.921000 89.859000 -24.263000 3 10926 10934 10937 10935 10934 CH 136.790000 90.591000 -25.173000 6 10933 10935 10938 10936 10935 C 138.217000 90.150000 -24.996000 1 10934 10936 10950 10937 10936 O 138.995000 90.122000 -25.917000 2 10935 10938 10937 H 135.172263 90.362664 -23.809331 4 10933 10939 10938 CH2 136.902000 92.012000 -24.675000 9 10934 10939 10940 10939 CH2 136.016000 92.978000 -25.378000 57 10938 10940 10941 10940 CH2 136.238000 94.341000 -24.729000 56 10939 10941 10942 10941 N 135.469000 94.492000 -23.490000 54 10940 10942 10945 10943 10942 C 135.861000 95.380000 -22.617000 53 10941 10943 10944 10944 10943 N 136.929000 96.101000 -22.865000 51 10942 10946 10947 10945 10944 N 135.200000 95.582000 -21.508000 51 10942 10948 10949 10946 10945 H 134.861811 93.737035 -23.204607 55 10941 10947 10946 H 137.468438 95.998058 -23.712649 52 10943 10948 10947 H 137.223424 96.785107 -22.182789 52 10943 10949 10948 H 134.363042 95.067505 -21.273700 52 10944 10950 10949 H 135.538283 96.278950 -20.859984 52 10944 10951 10950 N 138.568000 89.885000 -23.756000 3 10935 10951 10954 10952 10951 CH 139.923000 89.551000 -23.395000 6 10950 10952 10955 10953 10952 C 140.133000 88.072000 -23.154000 1 10951 10953 10958 10954 10953 O 141.164000 87.485000 -23.464000 2 10952 10955 10954 H 137.864082 89.916669 -23.032400 4 10950 10956 10955 CH 140.196000 90.258000 -22.096000 8 10951 10956 10957 10957 10956 CH3 141.407000 89.658000 -21.469000 7 10955 10958 10957 CH3 140.393000 91.741000 -22.296000 7 10955 10959 10958 N 139.160000 87.481000 -22.501000 3 10952 10959 10962 10960 10959 CH 139.258000 86.077000 -22.202000 6 10958 10960 10963 10961 10960 C 138.768000 85.300000 -23.405000 1 10959 10961 10964 10962 10961 O 137.709000 84.694000 -23.428000 2 10960 10963 10962 H 138.255474 87.928467 -22.459682 4 10958 10964 10963 CH3 138.441000 85.742000 -20.962000 7 10959 10965 10964 N 139.581000 85.404000 -24.410000 3 10960 10965 10968 10966 10965 CH 139.407000 84.800000 -25.681000 6 10964 10966 10969 10967 10966 C 139.295000 83.265000 -25.612000 1 10965 10967 10973 10968 10967 O 138.815000 82.583000 -26.508000 2 10966 10969 10968 H 140.410606 85.964176 -24.275626 4 10964 10970 10969 CH 140.674000 85.304000 -26.417000 25 10965 10970 10971 10971 10970 O 140.487000 85.385000 -27.801000 23 10969 10972 10972 10971 CH3 141.971000 84.574000 -26.028000 7 10969 10973 10972 H 141.294647 85.695654 -28.168151 24 10970 10974 10973 N 139.762000 82.655000 -24.553000 3 10966 10974 10977 10975 10974 CH 139.721000 81.207000 -24.496000 6 10973 10975 10978 10976 10975 C 138.310000 80.657000 -24.153000 1 10974 10976 10982 10977 10976 O 137.965000 79.480000 -24.394000 2 10975 10978 10977 H 139.866876 83.176071 -23.694172 4 10973 10979 10978 CH2 140.885000 80.656000 -23.619000 16 10974 10979 10980 10979 C 141.483000 81.588000 -22.568000 17 10978 10980 10981 10981 10980 O 142.369000 81.211000 -21.817000 18 10979 10982 10981 O 141.008000 82.827000 -22.513000 18 10979 10983 10982 N 137.499000 81.556000 -23.575000 3 10975 10983 10986 10984 10983 CH 136.136000 81.358000 -23.122000 6 10982 10984 10987 10985 10984 C 135.025000 81.673000 -24.139000 1 10983 10985 10999 10986 10985 O 135.146000 82.526000 -24.996000 2 10984 10987 10986 H 137.883446 82.480073 -23.439388 4 10982 10988 10987 CH2 135.956000 82.238000 -21.872000 66 10983 10988 10989 10988 C 136.752000 81.715000 -20.710000 11 10987 10989 10990 10990 10989 C 138.064000 82.091000 -20.501000 11 10988 10991 10994 10991 10990 C 136.183000 80.777000 -19.831000 11 10988 10992 10995 10992 10991 C 138.830000 81.567000 -19.461000 11 10989 10993 10996 10993 10992 C 136.936000 80.266000 -18.779000 11 10990 10993 10997 10994 10993 C 138.249000 80.646000 -18.572000 11 10991 10992 10998 10995 10994 H 138.548292 82.784550 -21.188422 75 10989 10996 10995 H 135.162965 80.428121 -19.991970 75 10990 10997 10996 H 139.862855 81.889276 -19.328907 75 10991 10998 10997 H 136.496002 79.538654 -18.096747 75 10992 10999 10998 H 138.812567 80.227293 -17.738227 75 10993 11000 10999 N 133.899000 80.985000 -23.991000 3 10984 11000 11003 11001 11000 CH 132.755000 81.110000 -24.861000 6 10999 11001 11004 11002 11001 C 131.465000 80.873000 -24.127000 1 11000 11002 11007 11003 11002 O 131.476000 80.329000 -23.011000 2 11001 11004 11003 H 133.839738 80.333599 -23.221413 4 10999 11005 11004 CH2 132.816000 80.007000 -25.920000 22 11000 11005 11006 11005 O 133.091000 78.731000 -25.310000 23 11004 11006 11007 11006 H 133.116716 78.096613 -26.003175 24 11005 11008 11007 N 130.350000 81.221000 -24.801000 3 11001 11008 11011 11009 11008 CH 129.030000 80.948000 -24.261000 6 11007 11009 11012 11010 11009 C 128.634000 79.555000 -24.687000 1 11008 11010 11016 11011 11010 O 128.660000 79.245000 -25.848000 2 11009 11012 11011 H 130.433022 81.527643 -25.759737 4 11007 11013 11012 CH 127.997000 81.935000 -24.792000 8 11008 11013 11014 11014 11013 CH2 128.252000 83.360000 -24.271000 9 11012 11015 11015 11014 CH3 126.580000 81.477000 -24.416000 7 11012 11016 11015 CH3 127.126000 84.337000 -24.661000 10 11013 11017 11016 N 128.218000 78.714000 -23.776000 3 11009 11017 11020 11018 11017 CH 127.816000 77.344000 -24.098000 6 11016 11018 11021 11019 11018 C 126.745000 77.148000 -25.207000 1 11017 11019 11022 11020 11019 O 125.841000 77.957000 -25.424000 2 11018 11021 11020 H 128.172455 79.021167 -22.814920 4 11016 11022 11021 CH3 127.398000 76.628000 -22.803000 7 11017 11023 11022 N 126.814000 76.020000 -25.911000 3 11018 11023 11026 11024 11023 CH 125.820000 75.745000 -26.957000 6 11022 11024 11027 11025 11024 C 124.419000 75.750000 -26.354000 1 11023 11025 11032 11026 11025 O 124.109000 74.983000 -25.437000 2 11024 11027 11026 H 127.383732 75.261083 -25.565240 4 11022 11028 11027 CH2 126.050000 74.411000 -27.749000 9 11023 11028 11029 11028 CH2 125.896000 74.478000 -29.288000 16 11027 11029 11030 11029 C 125.919000 73.126000 -29.967000 17 11028 11030 11031 11031 11030 O 125.148000 72.804000 -30.856000 18 11029 11032 11031 O 126.869000 72.336000 -29.525000 18 11029 11033 11032 N 123.568000 76.616000 -26.884000 3 11024 11033 11036 11034 11033 CH2 122.188000 76.657000 -26.465000 5 11032 11034 11035 11034 C 121.755000 77.764000 -25.526000 1 11033 11035 11037 11036 11035 O 120.559000 77.902000 -25.277000 2 11034 11037 11036 H 123.847209 77.139011 -27.701681 4 11032 11038 11037 N 122.677000 78.520000 -24.960000 3 11034 11038 11041 11039 11038 CH 122.241000 79.544000 -24.057000 6 11037 11039 11042 11040 11039 C 122.135000 80.832000 -24.839000 1 11038 11040 11046 11041 11040 O 122.572000 80.863000 -25.995000 2 11039 11042 11041 H 123.576726 78.613874 -25.409200 4 11037 11043 11042 CH2 123.130000 79.652000 -22.787000 16 11038 11043 11044 11043 C 122.613000 78.767000 -21.670000 17 11042 11044 11045 11045 11044 O 121.422000 78.565000 -21.524000 18 11043 11046 11045 O 123.534000 78.183000 -20.924000 18 11043 11047 11046 N 121.561000 81.880000 -24.226000 3 11039 11047 11050 11048 11047 CH 121.441000 83.145000 -24.949000 6 11046 11048 11051 11049 11048 C 122.777000 83.860000 -25.056000 1 11047 11049 11054 11050 11049 O 123.555000 83.866000 -24.104000 2 11048 11051 11050 H 121.500353 81.884556 -23.217833 4 11046 11052 11051 CH 120.405000 84.066000 -24.321000 8 11047 11052 11053 11053 11052 CH3 120.495000 85.472000 -24.861000 7 11051 11054 11053 CH3 119.018000 83.520000 -24.489000 7 11051 11055 11054 N 123.053000 84.436000 -26.224000 3 11048 11055 11058 11056 11055 CH 124.245000 85.239000 -26.456000 6 11054 11056 11059 11057 11056 C 123.694000 86.631000 -26.401000 1 11055 11057 11063 11058 11057 O 123.137000 87.155000 -27.373000 2 11056 11059 11058 H 122.403323 84.309679 -26.986930 4 11054 11060 11059 CH2 124.906000 85.024000 -27.823000 16 11055 11060 11061 11060 C 126.199000 85.807000 -27.951000 17 11059 11061 11062 11062 11061 O 126.994000 85.639000 -28.845000 18 11060 11063 11062 O 126.387000 86.699000 -27.015000 18 11060 11064 11063 N 123.777000 87.185000 -25.221000 3 11056 11064 11069 11065 11064 CH 123.189000 88.467000 -24.925000 14 11063 11065 11067 11066 11065 C 123.888000 89.666000 -25.570000 1 11064 11066 11070 11067 11066 O 123.431000 90.810000 -25.425000 2 11065 11068 11067 CH2 123.366000 88.590000 -23.434000 9 11064 11068 11069 11068 CH2 124.705000 87.894000 -23.171000 9 11067 11069 11070 11069 CH2 124.882000 86.881000 -24.292000 15 11063 11068 11071 11070 N 124.994000 89.398000 -26.268000 3 11065 11071 11074 11072 11071 CH 125.748000 90.445000 -26.928000 6 11070 11072 11075 11073 11072 C 124.953000 91.074000 -28.063000 1 11071 11073 11087 11074 11073 O 124.621000 90.404000 -29.025000 2 11072 11075 11074 H 125.249558 88.434319 -26.429586 4 11070 11076 11075 CH2 127.051000 89.871000 -27.428000 9 11071 11076 11077 11076 CH2 128.139000 90.124000 -26.359000 57 11075 11077 11078 11077 CH2 129.451000 89.362000 -26.606000 56 11076 11078 11079 11078 N 129.102000 88.082000 -27.178000 54 11077 11079 11082 11080 11079 C 129.898000 87.073000 -27.488000 53 11078 11080 11081 11081 11080 N 131.215000 87.053000 -27.307000 51 11079 11083 11084 11082 11081 N 129.302000 86.032000 -28.053000 51 11079 11085 11086 11083 11082 H 128.117758 87.949546 -27.361910 55 11078 11084 11083 H 131.719688 87.831104 -26.907069 52 11080 11085 11084 H 131.731139 86.228728 -27.579536 52 11080 11086 11085 H 128.308871 86.008325 -28.235305 52 11081 11087 11086 H 129.861731 85.231909 -28.311178 52 11081 11088 11087 N 124.630000 92.361000 -27.944000 3 11072 11088 11091 11089 11088 CH2 123.825000 93.027000 -28.954000 5 11087 11089 11090 11089 C 122.367000 93.273000 -28.496000 1 11088 11090 11092 11091 11090 O 121.640000 94.051000 -29.124000 2 11089 11092 11091 H 125.091830 92.918668 -27.239856 4 11087 11093 11092 N 121.895000 92.621000 -27.413000 3 11089 11093 11096 11094 11093 CH 120.523000 92.871000 -26.997000 6 11092 11094 11097 11095 11094 C 120.381000 94.119000 -26.179000 1 11093 11095 11101 11096 11095 O 121.295000 94.595000 -25.510000 2 11094 11097 11096 H 122.550822 92.250295 -26.740263 4 11092 11098 11097 CH2 119.980000 91.755000 -26.137000 9 11093 11098 11099 11098 CH 120.389000 90.392000 -26.677000 8 11097 11099 11100 11100 11099 CH3 120.459000 89.382000 -25.515000 7 11098 11101 11100 CH3 119.274000 89.976000 -27.598000 7 11098 11102 11101 N 119.171000 94.610000 -26.174000 3 11094 11102 11107 11103 11102 CH 118.885000 95.800000 -25.397000 14 11101 11103 11105 11104 11103 C 118.593000 95.502000 -23.925000 1 11102 11104 11108 11105 11104 O 117.922000 94.505000 -23.548000 2 11103 11106 11105 CH2 117.571000 96.298000 -25.997000 9 11102 11106 11107 11106 CH2 116.913000 95.055000 -26.594000 9 11105 11107 11108 11107 CH2 117.958000 94.009000 -26.802000 15 11101 11106 11109 11108 N 119.036000 96.426000 -23.089000 3 11103 11109 11112 11110 11109 CH 118.736000 96.369000 -21.682000 6 11108 11110 11113 11111 11110 C 117.563000 97.233000 -21.380000 1 11109 11111 11116 11112 11111 O 117.588000 98.410000 -21.664000 2 11110 11113 11112 H 119.472144 97.256475 -23.463419 4 11108 11114 11113 CH 119.897000 96.770000 -20.805000 8 11109 11114 11115 11115 11114 CH3 119.533000 96.582000 -19.310000 7 11113 11116 11115 CH3 121.038000 95.845000 -21.223000 7 11113 11117 11116 N 116.550000 96.631000 -20.810000 3 11110 11117 11120 11118 11117 CH 115.315000 97.296000 -20.482000 6 11116 11118 11121 11119 11118 C 115.198000 97.451000 -18.959000 1 11117 11119 11124 11120 11119 O 115.267000 96.454000 -18.244000 2 11118 11121 11120 H 116.638894 95.649550 -20.588745 4 11116 11122 11121 CH 114.171000 96.536000 -21.134000 8 11117 11122 11123 11123 11122 CH3 112.843000 97.282000 -21.058000 7 11121 11124 11123 CH3 114.538000 96.333000 -22.594000 7 11121 11125 11124 N 115.052000 98.726000 -18.507000 3 11118 11125 11128 11126 11125 CH 115.048000 99.120000 -17.118000 6 11124 11126 11129 11127 11126 C 113.722000 98.935000 -16.427000 1 11125 11127 11130 11128 11127 O 112.803000 98.399000 -17.017000 2 11126 11129 11128 H 114.937400 99.454148 -19.197483 4 11124 11130 11129 CH3 115.760000 100.444000 -16.850000 7 11125 11131 11130 N 113.592000 99.273000 -15.161000 3 11126 11131 11134 11132 11131 CH 112.267000 98.991000 -14.666000 6 11130 11132 11135 11133 11132 C 111.252000 99.973000 -15.222000 1 11131 11133 11136 11134 11133 O 110.088000 99.738000 -15.052000 2 11132 11135 11134 H 114.078706 100.089548 -14.819730 4 11130 11136 11135 CH3 112.172000 98.910000 -13.146000 7 11131 11137 11136 N 111.684000 101.093000 -15.828000 3 11132 11137 11140 11138 11137 CH 110.703000 102.001000 -16.363000 6 11136 11138 11141 11139 11138 C 110.123000 101.447000 -17.638000 1 11137 11139 11145 11140 11139 O 109.266000 102.013000 -18.303000 2 11138 11141 11140 H 112.626475 101.121521 -16.189977 4 11136 11142 11141 CH2 111.084000 103.478000 -16.500000 16 11137 11142 11143 11142 C 112.498000 103.681000 -16.860000 17 11141 11143 11144 11144 11143 O 112.997000 104.783000 -16.984000 18 11142 11145 11144 O 113.148000 102.548000 -16.904000 18 11142 11146 11145 N 110.615000 100.305000 -17.974000 3 11138 11146 11149 11147 11146 CH2 110.140000 99.669000 -19.172000 5 11145 11147 11148 11147 C 110.855000 100.218000 -20.378000 1 11146 11148 11150 11149 11148 O 110.570000 99.738000 -21.443000 2 11147 11150 11149 H 111.074965 99.744098 -17.271205 4 11145 11151 11150 N 111.802000 101.168000 -20.193000 3 11147 11151 11154 11152 11151 CH 112.535000 101.899000 -21.238000 6 11150 11152 11155 11153 11152 C 113.880000 101.320000 -21.737000 1 11151 11153 11158 11154 11153 O 114.711000 100.970000 -20.930000 2 11152 11155 11154 H 112.029056 101.399094 -19.236370 4 11150 11156 11155 CH 112.756000 103.254000 -20.565000 8 11151 11156 11157 11157 11156 CH3 113.663000 104.183000 -21.373000 7 11155 11158 11157 CH3 111.364000 103.847000 -20.329000 7 11155 11159 11158 N 114.206000 101.302000 -23.047000 3 11152 11159 11162 11160 11159 CH 115.540000 100.765000 -23.409000 6 11158 11160 11163 11161 11160 C 116.623000 101.605000 -22.696000 1 11159 11161 11168 11162 11161 O 116.607000 102.831000 -22.760000 2 11160 11163 11162 H 113.753769 101.952816 -23.673119 4 11158 11164 11163 CH2 115.827000 100.802000 -24.913000 9 11159 11164 11165 11164 CH2 115.968000 99.458000 -25.637000 16 11163 11165 11166 11165 C 116.605000 99.609000 -27.013000 17 11164 11166 11167 11167 11166 O 117.762000 100.040000 -27.196000 18 11165 11168 11167 O 115.786000 99.243000 -27.987000 18 11165 11169 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97.785000 -26.931000 25 11180 11185 11186 11186 11185 O 123.456000 98.921000 -27.244000 23 11184 11187 11187 11186 CH3 121.307000 98.053000 -27.484000 7 11184 11188 11187 H 123.444981 99.006354 -28.180052 24 11185 11189 11188 N 123.753000 95.584000 -24.506000 3 11181 11189 11192 11190 11189 CH 124.789000 94.689000 -23.979000 6 11188 11190 11193 11191 11190 C 125.913000 94.557000 -24.937000 1 11189 11191 11196 11192 11191 O 125.697000 94.231000 -26.085000 2 11190 11193 11192 H 122.821230 95.205434 -24.598695 4 11188 11194 11193 CH 124.239000 93.279000 -23.817000 8 11189 11194 11195 11195 11194 CH3 125.311000 92.386000 -23.170000 7 11193 11196 11195 CH3 122.980000 93.364000 -22.963000 7 11193 11197 11196 N 127.099000 94.749000 -24.433000 3 11190 11197 11200 11198 11197 CH 128.279000 94.759000 -25.242000 6 11196 11198 11201 11199 11198 C 129.209000 93.615000 -25.015000 1 11197 11199 11205 11200 11199 O 129.918000 93.145000 -25.884000 2 11198 11201 11200 H 127.188403 94.895715 -23.437720 4 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133.925000 93.570000 -17.908000 67 11231 11232 11235 11235 11234 C 135.057000 92.435000 -16.067000 11 11231 11236 11240 11236 11235 C 134.810000 94.626000 -17.836000 11 11233 11237 11241 11237 11236 C 135.918000 93.499000 -15.982000 11 11234 11237 11242 11238 11237 C 135.791000 94.588000 -16.854000 11 11235 11236 11243 11239 11238 H 131.487902 91.645627 -18.932426 75 11230 11240 11239 H 132.524760 93.933646 -19.494026 41 11232 11241 11240 H 135.163354 91.591961 -15.384304 75 11234 11242 11241 H 134.736330 95.487487 -18.499711 75 11235 11243 11242 H 136.698417 93.498256 -15.221047 75 11236 11244 11243 H 136.479901 95.429373 -16.779125 75 11237 11245 11244 N 133.521000 87.080000 -17.522000 3 11225 11245 11248 11246 11245 CH 133.667000 85.731000 -16.970000 6 11244 11246 11249 11247 11246 C 134.634000 85.684000 -15.787000 1 11245 11247 11252 11248 11247 O 135.507000 86.517000 -15.660000 2 11246 11249 11248 H 134.185874 87.398208 -18.212497 4 11244 11250 11249 CH 134.073000 84.716000 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129.419000 87.286000 -13.239000 6 11346 11348 11351 11349 11348 C 128.786000 88.664000 -13.550000 1 11347 11349 11363 11350 11349 O 128.022000 89.206000 -12.762000 2 11348 11351 11350 H 130.401258 86.947329 -15.089309 4 11346 11352 11351 CH2 130.436000 87.234000 -12.107000 9 11347 11352 11353 11352 CH2 130.676000 85.830000 -11.522000 57 11351 11353 11354 11353 CH2 131.615000 85.905000 -10.353000 56 11352 11354 11355 11354 N 132.167000 84.636000 -9.848000 54 11353 11355 11358 11356 11355 C 131.614000 83.940000 -8.876000 53 11354 11356 11357 11357 11356 N 130.442000 84.294000 -8.323000 51 11355 11359 11360 11358 11357 N 132.219000 82.837000 -8.479000 51 11355 11361 11362 11359 11358 H 133.013939 84.291160 -10.276811 55 11354 11360 11359 H 129.925100 85.108675 -8.621695 52 11356 11361 11360 H 130.062667 83.724329 -7.580248 52 11356 11362 11361 H 133.082148 82.512969 -8.891408 52 11357 11363 11362 H 131.803908 82.295393 -7.734379 52 11357 11364 11363 N 129.107000 89.249000 -14.702000 3 11348 11364 11367 11365 11364 CH 128.497000 90.503000 -15.157000 6 11363 11365 11368 11366 11365 C 128.307000 90.571000 -16.644000 1 11364 11366 11381 11367 11366 O 129.003000 89.902000 -17.397000 2 11365 11368 11367 H 129.801667 88.809687 -15.288977 4 11363 11369 11368 CH2 129.217000 91.797000 -14.788000 66 11364 11369 11370 11369 C 129.845000 91.801000 -13.429000 11 11368 11370 11371 11371 11370 C 129.299000 92.594000 -12.427000 11 11369 11372 11376 11372 11371 C 130.927000 90.996000 -13.112000 11 11369 11373 11377 11373 11372 C 129.817000 92.622000 -11.141000 11 11370 11374 11378 11374 11373 C 131.468000 91.032000 -11.846000 11 11371 11374 11379 11375 11374 C 130.931000 91.863000 -10.867000 26 11372 11373 11375 11376 11375 O 131.497000 91.907000 -9.575000 76 11374 11380 11377 11376 H 128.421045 93.205953 -12.633900 75 11370 11378 11377 H 131.349773 90.330091 -13.864282 75 11371 11379 11378 H 129.359673 93.257871 -10.382963 75 11372 11380 11379 H 132.319309 90.397727 -11.598875 75 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130.710000 96.421000 -20.343000 16 11395 11397 11398 11397 C 132.177000 96.522000 -20.695000 17 11396 11398 11399 11399 11398 O 132.798000 97.580000 -20.689000 18 11397 11400 11399 O 132.704000 95.374000 -21.035000 18 11397 11401 11400 N 127.307000 96.707000 -20.685000 3 11392 11401 11404 11402 11401 CH 126.451000 97.324000 -21.677000 6 11400 11402 11405 11403 11402 C 126.898000 98.724000 -21.896000 1 11401 11403 11409 11404 11403 O 127.558000 99.351000 -21.093000 2 11402 11405 11404 H 127.802997 97.296234 -20.031632 4 11400 11406 11405 CH2 124.962000 97.419000 -21.357000 9 11401 11406 11407 11406 CH 124.700000 98.484000 -20.320000 8 11405 11407 11408 11408 11407 CH3 123.252000 98.940000 -20.431000 7 11406 11409 11408 CH3 124.866000 97.786000 -18.981000 7 11406 11410 11409 N 126.497000 99.175000 -23.022000 3 11402 11410 11413 11411 11410 CH 126.772000 100.501000 -23.431000 6 11409 11411 11414 11412 11411 C 125.508000 101.304000 -23.170000 1 11410 11412 11417 11413 11412 O 124.404000 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11446 11445 CH 129.663000 108.121000 -23.177000 6 11444 11446 11449 11447 11446 C 130.094000 106.774000 -22.673000 1 11445 11447 11450 11448 11447 O 130.709000 106.015000 -23.401000 2 11446 11449 11448 H 128.224254 108.801748 -21.777976 4 11444 11450 11449 CH3 130.644000 109.130000 -22.624000 7 11445 11451 11450 N 129.801000 106.524000 -21.401000 3 11446 11451 11454 11452 11451 CH 130.229000 105.350000 -20.643000 6 11450 11452 11455 11453 11452 C 129.573000 104.043000 -20.961000 1 11451 11453 11467 11454 11453 O 128.708000 103.934000 -21.828000 2 11452 11455 11454 H 129.233356 107.204289 -20.916143 4 11450 11456 11455 CH2 129.994000 105.552000 -19.162000 9 11451 11456 11457 11456 CH2 128.546000 105.994000 -18.901000 57 11455 11457 11458 11457 CH2 128.077000 105.801000 -17.457000 56 11456 11458 11459 11458 N 128.644000 104.599000 -16.865000 54 11457 11459 11462 11460 11459 C 128.954000 104.520000 -15.596000 53 11458 11460 11461 11461 11460 N 128.719000 105.580000 -14.792000 51 11459 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109.610650 88.427014 -21.286604 21 11572 11577 11576 N 115.361000 85.897000 -24.662000 3 11565 11577 11580 11578 11577 CH 115.953000 85.764000 -26.005000 6 11576 11578 11581 11579 11578 C 116.126000 87.081000 -26.769000 1 11577 11579 11589 11580 11579 O 116.939000 87.132000 -27.688000 2 11578 11581 11580 H 114.385817 85.668529 -24.531927 4 11576 11582 11581 CH2 115.183000 84.811000 -26.929000 9 11577 11582 11583 11582 CH2 115.220000 83.339000 -26.547000 9 11581 11583 11584 11583 CH2 114.260000 82.459000 -27.340000 9 11582 11584 11585 11584 CH2 114.256000 81.016000 -26.849000 19 11583 11585 11586 11585 N 113.364000 80.128000 -27.611000 20 11584 11586 11587 11588 11587 11586 H 113.402860 79.160287 -27.232025 21 11585 11588 11587 H 113.645470 80.100591 -28.611811 21 11585 11589 11588 H 112.381254 80.463676 -27.555039 21 11585 11590 11589 N 115.326000 88.110000 -26.418000 3 11578 11590 11593 11591 11590 CH 115.219000 89.407000 -27.103000 6 11589 11591 11594 11592 11591 C 115.530000 90.685000 -26.302000 1 11590 11592 11598 11593 11592 O 115.708000 91.781000 -26.845000 2 11591 11594 11593 H 114.743049 87.975909 -25.604190 4 11589 11595 11594 CH2 113.828000 89.496000 -27.785000 16 11590 11595 11596 11595 C 112.569000 89.539000 -26.930000 17 11594 11596 11597 11597 11596 O 111.477000 89.867000 -27.380000 18 11595 11598 11597 O 112.726000 89.160000 -25.686000 18 11595 11599 11598 N 115.574000 90.569000 -24.982000 3 11591 11599 11602 11600 11599 CH 115.873000 91.697000 -24.113000 6 11598 11600 11603 11601 11600 C 116.510000 91.108000 -22.892000 1 11599 11601 11611 11602 11601 O 116.511000 89.901000 -22.728000 2 11600 11603 11602 H 115.393796 89.666735 -24.565413 4 11598 11604 11603 CH2 114.601000 92.468000 -23.680000 9 11599 11604 11605 11604 CH2 113.352000 91.632000 -23.332000 9 11603 11605 11606 11605 CH2 112.010000 92.383000 -23.255000 9 11604 11606 11607 11606 CH2 110.822000 91.409000 -23.402000 19 11605 11607 11608 11607 N 109.561000 92.033000 -23.814000 20 11606 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115.968218 91.009750 -18.745582 4 11620 11626 11625 CH 113.753000 92.385000 -17.717000 8 11621 11626 11627 11627 11626 CH3 113.094000 93.488000 -16.909000 7 11625 11628 11627 CH3 112.912000 92.061000 -18.951000 7 11625 11629 11628 N 115.987000 94.348000 -16.345000 3 11622 11629 11632 11630 11629 CH 116.584000 94.708000 -15.119000 6 11628 11630 11633 11631 11630 C 115.544000 95.583000 -14.484000 1 11629 11631 11636 11632 11631 O 115.348000 96.680000 -15.014000 2 11630 11633 11632 H 115.617639 95.081248 -16.933235 4 11628 11634 11633 CH 117.736000 95.662000 -15.412000 8 11629 11634 11635 11635 11634 CH3 118.103000 96.467000 -14.159000 7 11633 11636 11635 CH3 118.893000 94.840000 -15.864000 7 11633 11637 11636 N 114.881000 95.083000 -13.438000 3 11630 11637 11640 11638 11637 CH 113.876000 95.766000 -12.625000 6 11636 11638 11641 11639 11638 C 114.454000 96.607000 -11.462000 1 11637 11639 11645 11640 11639 O 113.757000 97.378000 -10.841000 2 11638 11641 11640 H 115.097167 94.130483 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11658 11657 H 116.774614 98.559908 -11.992508 4 11653 11659 11658 CH 118.097000 101.053000 -11.305000 8 11654 11659 11660 11660 11659 CH2 118.817000 100.395000 -12.499000 9 11658 11661 11661 11660 CH3 118.729000 100.686000 -9.968000 7 11658 11662 11661 CH3 120.260000 100.872000 -12.735000 10 11659 11663 11662 N 115.920000 102.420000 -12.669000 3 11655 11663 11666 11664 11663 CH 115.303000 103.019000 -13.830000 6 11662 11664 11667 11665 11664 C 116.315000 103.449000 -14.869000 1 11663 11665 11671 11666 11665 O 117.456000 103.829000 -14.559000 2 11664 11667 11666 H 116.467212 103.001449 -12.050473 4 11662 11668 11667 CH2 114.475000 104.215000 -13.387000 9 11663 11668 11669 11668 CH 113.353000 103.847000 -12.432000 8 11667 11669 11670 11670 11669 CH3 112.378000 105.008000 -12.294000 7 11668 11671 11670 CH3 112.620000 102.638000 -12.945000 7 11668 11672 11671 N 115.888000 103.416000 -16.122000 3 11664 11672 11675 11673 11672 CH 116.793000 103.825000 -17.196000 6 11671 11673 11676 11674 11673 C 117.676000 105.026000 -16.866000 1 11672 11674 11679 11675 11674 O 118.897000 104.983000 -17.034000 2 11673 11676 11675 H 114.894049 103.396053 -16.300224 4 11671 11677 11676 CH2 116.090000 103.968000 -18.519000 22 11672 11677 11678 11677 O 114.917000 104.718000 -18.304000 23 11676 11678 11679 11678 H 114.488425 104.799675 -19.136618 24 11677 11680 11679 N 117.033000 106.086000 -16.408000 3 11673 11680 11683 11681 11680 CH 117.652000 107.354000 -16.044000 6 11679 11681 11684 11682 11681 C 118.803000 107.069000 -15.109000 1 11680 11682 11689 11683 11682 O 119.856000 107.705000 -15.113000 2 11681 11684 11683 H 116.031408 106.011111 -16.301674 4 11679 11685 11684 CH2 116.515000 108.255000 -15.446000 9 11680 11685 11686 11685 CH2 116.886000 109.417000 -14.511000 16 11684 11686 11687 11686 C 115.785000 109.782000 -13.542000 17 11685 11687 11688 11688 11687 O 115.806000 110.788000 -12.852000 18 11686 11689 11688 O 114.806000 108.911000 -13.510000 18 11686 11690 11689 N 118.609000 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103.267000 -11.676000 2 11752 11755 11754 H 131.733540 104.663729 -11.609831 4 11750 11756 11755 CH2 133.012000 105.019000 -13.925000 9 11751 11756 11757 11756 CH2 131.941000 106.121000 -14.139000 57 11755 11757 11758 11757 CH2 132.343000 107.188000 -15.197000 56 11756 11758 11759 11758 N 131.276000 108.057000 -15.722000 54 11757 11759 11762 11760 11759 C 131.488000 109.006000 -16.627000 53 11758 11760 11761 11761 11760 N 132.702000 109.240000 -17.114000 51 11759 11763 11764 11762 11761 N 130.468000 109.747000 -17.056000 51 11759 11765 11766 11763 11762 H 130.340299 107.915316 -15.369169 55 11758 11764 11763 H 133.513880 108.714085 -16.823544 52 11760 11765 11764 H 132.818105 109.971418 -17.800766 52 11760 11766 11765 H 129.524503 109.618524 -16.719241 52 11761 11767 11766 H 130.643783 110.464963 -17.744280 52 11761 11768 11767 N 134.304000 102.043000 -13.559000 3 11752 11768 11771 11769 11768 CH 135.500000 101.281000 -13.313000 6 11767 11769 11772 11770 11769 C 136.725000 102.121000 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11786 11787 11787 11786 H 140.132179 103.722824 -10.484071 13 11785 11788 11787 H 141.664299 103.743295 -9.662327 13 11785 11789 11788 N 140.219000 100.707000 -14.865000 3 11778 11789 11792 11790 11789 CH 140.798000 100.205000 -16.074000 6 11788 11790 11793 11791 11790 C 139.549000 99.709000 -16.793000 1 11789 11791 11796 11792 11791 O 138.567000 99.392000 -16.150000 2 11790 11793 11792 H 139.827483 100.053816 -14.201551 4 11788 11794 11793 CH2 141.843000 99.146000 -15.929000 22 11789 11794 11795 11794 O 142.341000 98.842000 -17.245000 23 11793 11795 11796 11795 H 142.996403 98.176079 -17.142065 24 11794 11797 11796 N 139.527000 99.689000 -18.103000 3 11790 11797 11800 11798 11797 CH 138.389000 99.288000 -18.901000 6 11796 11798 11801 11799 11798 C 138.213000 97.746000 -19.061000 1 11797 11799 11813 11800 11799 O 137.124000 97.283000 -19.449000 2 11798 11801 11800 H 140.364452 99.973928 -18.590432 4 11796 11802 11801 CH2 138.553000 100.046000 -20.238000 9 11797 11802 11803 11802 CH2 137.532000 99.723000 -21.328000 57 11801 11803 11804 11803 CH2 138.165000 98.943000 -22.484000 56 11802 11804 11805 11804 N 137.227000 98.610000 -23.567000 54 11803 11805 11808 11806 11805 C 137.619000 98.168000 -24.771000 53 11804 11806 11807 11807 11806 N 138.934000 98.033000 -25.088000 51 11805 11809 11810 11808 11807 N 136.659000 97.865000 -25.670000 51 11805 11811 11812 11809 11808 H 136.240360 98.723769 -23.383432 55 11804 11810 11809 H 139.674504 98.256759 -24.438626 52 11806 11811 11810 H 139.180719 97.696191 -26.007668 52 11806 11812 11811 H 135.674504 97.959915 -25.465408 52 11807 11813 11812 H 136.934769 97.530562 -26.582252 52 11807 11814 11813 N 139.276000 96.952000 -18.759000 3 11798 11814 11817 11815 11814 CH 139.278000 95.506000 -18.912000 6 11813 11815 11818 11816 11815 C 139.720000 94.782000 -17.645000 1 11814 11816 11822 11817 11816 O 140.359000 93.710000 -17.697000 2 11815 11818 11817 H 140.113689 97.393438 -18.407561 4 11813 11819 11818 CH2 140.163000 94.968000 -20.075000 16 11814 11819 11820 11819 C 139.901000 95.441000 -21.488000 17 11818 11820 11821 11821 11820 O 138.847000 95.265000 -22.039000 18 11819 11822 11821 O 140.977000 95.821000 -22.138000 18 11819 11823 11822 N 139.385000 95.356000 -16.496000 3 11815 11823 11826 11824 11823 CH 139.689000 94.702000 -15.260000 6 11822 11824 11827 11825 11824 C 138.971000 95.391000 -14.148000 1 11823 11825 11834 11826 11825 O 138.668000 96.563000 -14.286000 2 11824 11827 11826 H 138.702218 96.100233 -16.501192 4 11822 11828 11827 CH2 141.178000 94.441000 -15.043000 9 11823 11828 11829 11828 CH2 141.887000 95.719000 -14.569000 9 11827 11829 11830 11829 C 143.393000 95.509000 -14.486000 1 11828 11830 11831 11831 11830 O 144.076000 96.362000 -13.861000 2 11829 11832 11831 N 143.883000 94.368000 -15.072000 12 11829 11832 11833 11833 11832 H 143.264803 93.713292 -15.529482 13 11831 11834 11833 H 144.873128 94.169651 -15.051882 13 11831 11835 11834 N 138.617000 94.643000 -13.091000 3 11824 11835 11838 11836 11835 CH 137.839000 95.226000 -11.971000 6 11834 11836 11839 11837 11836 C 138.389000 94.788000 -10.609000 1 11835 11837 11843 11838 11837 O 138.683000 93.603000 -10.412000 2 11836 11839 11838 H 139.035809 93.731407 -12.973962 4 11834 11840 11839 CH 136.368000 94.899000 -12.180000 8 11835 11840 11841 11841 11840 CH2 135.439000 95.634000 -11.247000 9 11839 11842 11842 11841 CH3 136.046000 93.401000 -12.215000 7 11839 11843 11842 CH3 134.045000 95.059000 -11.393000 10 11840 11844 11843 N 138.639000 95.773000 -9.743000 3 11836 11844 11847 11845 11844 CH 139.145000 95.639000 -8.402000 6 11843 11845 11848 11846 11845 C 138.092000 95.073000 -7.465000 1 11844 11846 11852 11847 11846 O 136.899000 95.124000 -7.746000 2 11845 11848 11847 H 138.453202 96.712761 -10.063043 4 11843 11849 11848 CH 139.585000 97.001000 -7.839000 25 11844 11849 11850 11850 11849 O 138.430000 97.706000 -7.419000 23 11848 11851 11851 11850 CH3 140.191000 97.854000 -8.929000 7 11848 11852 11851 H 138.722568 98.532397 -7.079778 24 11849 11853 11852 N 138.483000 94.514000 -6.319000 3 11845 11853 11856 11854 11853 CH 137.402000 93.978000 -5.511000 6 11852 11854 11857 11855 11854 C 136.497000 95.064000 -4.976000 1 11853 11855 11861 11856 11855 O 135.287000 94.852000 -4.782000 2 11854 11857 11856 H 139.309517 94.867630 -5.858657 4 11852 11858 11857 CH2 137.820000 93.033000 -4.362000 9 11853 11858 11859 11858 CH 138.746000 91.869000 -4.757000 8 11857 11859 11860 11860 11859 CH3 139.767000 91.620000 -3.640000 7 11858 11861 11860 CH3 137.966000 90.562000 -5.006000 7 11858 11862 11861 N 137.053000 96.230000 -4.661000 3 11854 11862 11865 11863 11862 CH 136.128000 97.217000 -4.120000 6 11861 11863 11866 11864 11863 C 135.041000 97.620000 -5.136000 1 11862 11864 11878 11865 11864 O 133.816000 97.763000 -4.824000 2 11863 11866 11865 H 137.855973 96.547096 -5.185199 4 11861 11867 11866 CH2 136.892000 98.375000 -3.577000 9 11862 11867 11868 11867 CH2 136.006000 99.278000 -2.775000 57 11866 11868 11869 11868 CH2 136.685000 100.603000 -2.652000 56 11867 11869 11870 11869 N 137.769000 100.418000 -1.709000 54 11868 11870 11873 11871 11870 C 138.012000 101.198000 -0.654000 53 11869 11871 11872 11872 11871 N 137.260000 102.249000 -0.373000 51 11870 11874 11875 11873 11872 N 139.032000 100.909000 0.146000 51 11870 11876 11877 11874 11873 H 138.383745 99.633425 -1.872192 55 11869 11875 11874 H 136.466715 102.515464 -0.938505 52 11871 11876 11875 H 137.486963 102.806901 0.437762 52 11871 11877 11876 H 139.637598 100.116214 -0.011609 52 11872 11878 11877 H 139.209490 101.504155 0.942485 52 11872 11879 11878 N 135.518000 97.737000 -6.382000 3 11863 11879 11882 11880 11879 CH 134.689000 98.041000 -7.523000 6 11878 11880 11883 11881 11880 C 133.529000 97.043000 -7.655000 1 11879 11881 11888 11882 11881 O 132.375000 97.440000 -7.859000 2 11880 11883 11882 H 136.508376 97.605749 -6.530421 4 11878 11884 11883 CH2 135.582000 98.017000 -8.770000 9 11879 11884 11885 11884 CH2 136.152000 99.418000 -8.861000 16 11883 11885 11886 11885 C 137.073000 99.678000 -9.978000 17 11884 11886 11887 11887 11886 O 137.482000 100.799000 -10.126000 18 11885 11888 11887 O 137.410000 98.617000 -10.702000 18 11885 11889 11888 N 133.816000 95.737000 -7.530000 3 11880 11889 11892 11890 11889 CH 132.708000 94.804000 -7.574000 6 11888 11890 11893 11891 11890 C 131.647000 95.188000 -6.546000 1 11889 11891 11898 11892 11891 O 130.451000 95.154000 -6.792000 2 11890 11893 11892 H 134.666217 95.465566 -7.057184 4 11888 11894 11893 CH2 133.219000 93.394000 -7.368000 9 11889 11894 11895 11894 CH2 134.197000 93.028000 -8.512000 16 11893 11895 11896 11895 C 134.516000 91.562000 -8.541000 17 11894 11896 11897 11897 11896 O 135.512000 91.066000 -8.043000 18 11895 11898 11897 O 133.564000 90.859000 -9.106000 18 11895 11899 11898 N 132.077000 95.556000 -5.343000 3 11890 11899 11902 11900 11899 CH 131.107000 95.898000 -4.304000 6 11898 11900 11903 11901 11900 C 130.394000 97.179000 -4.718000 1 11899 11901 11907 11902 11901 O 129.229000 97.415000 -4.542000 2 11900 11903 11902 H 133.035256 95.856799 -5.236393 4 11898 11904 11903 CH2 131.867000 96.033000 -2.963000 16 11899 11904 11905 11904 C 131.657000 94.943000 -1.930000 17 11903 11905 11906 11906 11905 O 131.413000 95.129000 -0.720000 18 11904 11907 11906 O 131.667000 93.761000 -2.473000 18 11904 11908 11907 N 131.095000 98.068000 -5.344000 3 11900 11908 11911 11909 11908 CH 130.443000 99.298000 -5.671000 6 11907 11909 11912 11910 11909 C 129.270000 99.167000 -6.585000 1 11908 11910 11920 11911 11910 O 128.222000 99.780000 -6.352000 2 11909 11912 11911 H 131.881802 97.767578 -5.901485 4 11907 11913 11912 CH2 131.446000 100.285000 -6.214000 9 11908 11913 11914 11913 CH2 132.281000 100.903000 -5.108000 9 11912 11914 11915 11914 CH2 133.273000 101.894000 -5.684000 9 11913 11915 11916 11915 CH2 133.962000 102.770000 -4.673000 19 11914 11916 11917 11916 N 134.719000 103.805000 -5.385000 20 11915 11917 11918 11919 11918 11917 H 135.207551 104.427833 -4.710465 21 11916 11919 11918 H 134.082629 104.385995 -5.967302 21 11916 11920 11919 H 135.430761 103.372214 -6.007650 21 11916 11921 11920 N 129.551000 98.445000 -7.661000 3 11909 11921 11924 11922 11921 CH 128.680000 98.124000 -8.768000 6 11920 11922 11925 11923 11922 C 127.461000 97.300000 -8.382000 1 11921 11923 11928 11924 11923 O 126.341000 97.505000 -8.872000 2 11922 11925 11924 H 130.488931 98.073960 -7.713107 4 11920 11926 11925 CH 129.497000 97.340000 -9.781000 8 11921 11926 11927 11927 11926 CH3 128.568000 96.590000 -10.752000 7 11925 11928 11927 CH3 130.388000 98.289000 -10.560000 7 11925 11929 11928 N 127.725000 96.311000 -7.556000 3 11922 11929 11932 11930 11929 CH 126.701000 95.414000 -7.069000 6 11928 11930 11933 11931 11930 C 125.777000 96.181000 -6.135000 1 11929 11931 11936 11932 11931 O 124.530000 96.130000 -6.175000 2 11930 11933 11932 H 128.677865 96.173162 -7.250796 4 11928 11934 11933 CH2 127.321000 94.233000 -6.321000 22 11929 11934 11935 11934 O 128.420000 93.685000 -7.041000 23 11933 11935 11936 11935 H 128.751869 92.969252 -6.529954 24 11934 11937 11936 N 126.376000 96.931000 -5.247000 3 11930 11937 11940 11938 11937 CH 125.506000 97.640000 -4.319000 6 11936 11938 11941 11939 11938 C 124.658000 98.700000 -4.995000 1 11937 11939 11942 11940 11939 O 123.564000 99.042000 -4.537000 2 11938 11941 11940 H 127.280341 97.323151 -5.467194 4 11936 11942 11941 CH3 126.329000 98.260000 -3.217000 7 11937 11943 11942 N 125.200000 99.247000 -6.069000 3 11938 11943 11946 11944 11943 CH 124.489000 100.246000 -6.807000 6 11942 11944 11947 11945 11944 C 123.097000 99.751000 -7.097000 1 11943 11945 11960 11946 11945 O 122.130000 100.398000 -6.709000 2 11944 11947 11946 H 126.001645 98.802640 -6.493276 4 11942 11948 11947 CH2 125.161000 100.663000 -8.129000 66 11943 11948 11949 11948 C 124.433000 101.852000 -8.757000 11 11947 11949 11950 11950 11949 C 124.645000 103.147000 -8.261000 11 11948 11951 11955 11951 11950 C 123.512000 101.698000 -9.808000 11 11948 11952 11956 11952 11951 C 123.994000 104.253000 -8.821000 11 11949 11953 11957 11953 11952 C 122.833000 102.777000 -10.366000 11 11950 11953 11958 11954 11953 C 123.106000 104.069000 -9.883000 26 11951 11952 11954 11955 11954 O 122.466000 105.115000 -10.436000 76 11953 11959 11956 11955 H 125.329043 103.306134 -7.427416 75 11949 11957 11956 H 123.296124 100.705038 -10.202366 75 11950 11958 11957 H 124.172738 105.250919 -8.420613 75 11951 11959 11958 H 122.126676 102.614418 -11.180109 75 11952 11960 11959 H 121.878360 104.774730 -11.128672 24 11954 11961 11960 N 123.023000 98.616000 -7.797000 3 11944 11961 11964 11962 11961 CH 121.739000 98.061000 -8.178000 6 11960 11962 11965 11963 11962 C 120.867000 97.532000 -7.017000 1 11961 11963 11978 11964 11963 O 119.610000 97.447000 -7.104000 2 11962 11965 11964 H 123.851224 98.046335 -7.895118 4 11960 11966 11965 CH2 122.002000 96.900000 -9.163000 66 11961 11966 11967 11966 C 122.696000 97.341000 -10.427000 11 11965 11967 11968 11968 11967 C 121.988000 97.841000 -11.521000 11 11966 11969 11973 11969 11968 C 124.087000 97.238000 -10.523000 11 11966 11970 11974 11970 11969 C 122.634000 98.188000 -12.704000 11 11967 11971 11975 11971 11970 C 124.749000 97.606000 -11.687000 11 11968 11971 11976 11972 11971 C 124.022000 98.059000 -12.782000 26 11969 11970 11972 11973 11972 O 124.689000 98.406000 -13.912000 76 11971 11977 11974 11973 H 120.901883 97.921508 -11.476627 75 11967 11975 11974 H 124.663058 96.840848 -9.687221 75 11968 11976 11975 H 122.059555 98.576490 -13.544945 75 11969 11977 11976 H 125.833946 97.520226 -11.747298 75 11970 11978 11977 H 125.636368 98.269307 -13.754811 24 11972 11979 11978 N 121.507000 97.133000 -5.927000 3 11962 11979 11982 11980 11979 CH 120.695000 96.600000 -4.825000 6 11978 11980 11983 11981 11980 C 119.956000 97.771000 -4.204000 1 11979 11981 11984 11982 11981 O 118.745000 97.766000 -3.872000 2 11980 11983 11982 H 122.414917 97.524732 -5.721251 4 11978 11984 11983 CH3 121.640000 95.906000 -3.891000 7 11979 11985 11984 N 120.731000 98.832000 -4.102000 3 11980 11985 11988 11986 11985 CH2 120.199000 100.078000 -3.616000 5 11984 11986 11987 11986 C 118.930000 100.449000 -4.355000 1 11985 11987 11989 11988 11987 O 117.984000 100.962000 -3.765000 2 11986 11989 11988 H 121.626662 98.830844 -4.568785 4 11984 11990 11989 N 118.868000 100.214000 -5.674000 3 11986 11990 11993 11991 11990 CH2 117.642000 100.660000 -6.330000 5 11989 11991 11992 11991 C 116.414000 99.822000 -5.935000 1 11990 11992 11994 11993 11992 O 115.280000 100.112000 -6.239000 2 11991 11994 11993 H 119.366689 99.422299 -6.054288 4 11989 11995 11994 N 116.624000 98.752000 -5.263000 3 11991 11995 11998 11996 11995 CH 115.551000 97.870000 -4.907000 6 11994 11996 11999 11997 11996 C 114.759000 98.482000 -3.829000 1 11995 11997 12003 11998 11997 O 113.584000 98.130000 -3.643000 2 11996 11999 11998 H 117.539225 98.594957 -4.865758 4 11994 12000 11999 CH2 116.021000 96.533000 -4.331000 9 11995 12000 12001 12000 CH 116.801000 95.670000 -5.293000 8 11999 12001 12002 12002 12001 CH3 117.344000 94.435000 -4.521000 7 12000 12003 12002 CH3 115.826000 95.174000 -6.366000 7 12000 12004 12003 N 115.460000 99.363000 -3.101000 3 11996 12004 12007 12005 12004 CH 114.805000 100.031000 -2.006000 6 12003 12005 12008 12006 12005 C 114.511000 101.449000 -2.368000 1 12004 12006 12012 12007 12006 O 113.515000 101.985000 -1.930000 2 12005 12008 12007 H 116.291765 99.775190 -3.498953 4 12003 12009 12008 CH2 115.600000 99.983000 -0.687000 9 12004 12009 12010 12009 CH 114.715000 100.359000 0.500000 8 12008 12010 12011 12011 12010 CH3 113.870000 99.153000 0.928000 7 12009 12012 12011 CH3 115.558000 100.782000 1.676000 7 12009 12013 12012 N 115.425000 102.029000 -3.164000 3 12005 12013 12016 12014 12013 CH 115.393000 103.433000 -3.487000 6 12012 12014 12017 12015 12014 C 115.089000 103.806000 -4.943000 1 12013 12015 12030 12016 12015 O 115.140000 104.979000 -5.268000 2 12014 12017 12016 H 116.163262 101.458682 -3.551049 4 12012 12018 12017 CH2 116.762000 104.042000 -3.069000 66 12013 12018 12019 12018 C 117.086000 104.069000 -1.560000 11 12017 12019 12020 12020 12019 C 118.293000 103.580000 -1.024000 11 12018 12021 12025 12021 12020 C 116.184000 104.666000 -0.676000 11 12018 12022 12026 12022 12021 C 118.577000 103.697000 0.345000 11 12019 12023 12027 12023 12022 C 116.406000 104.719000 0.704000 11 12020 12023 12028 12024 12023 C 117.608000 104.221000 1.218000 26 12021 12022 12024 12025 12024 O 117.820000 104.285000 2.576000 76 12023 12029 12026 12025 H 119.050744 103.157498 -1.683861 75 12019 12027 12026 H 115.261600 105.107065 -1.053809 75 12020 12028 12027 H 119.516680 103.312416 0.741480 75 12021 12029 12028 H 115.673771 105.195411 1.355900 75 12022 12030 12029 H 117.040943 104.696316 2.981941 24 12024 12031 12030 N 114.799000 102.895000 -5.878000 3 12014 12031 12034 12032 12031 CH 114.642000 103.423000 -7.230000 6 12030 12032 12035 12033 12032 C 113.462000 104.370000 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12049 CH2 109.146000 108.216000 -3.621000 9 12046 12050 12051 12050 CH2 109.248000 108.771000 -5.021000 9 12049 12051 12052 12051 CH2 109.858000 107.689000 -5.902000 15 12045 12050 12053 12052 N 108.230000 104.966000 -3.612000 3 12047 12053 12056 12054 12053 CH 107.443000 103.952000 -2.891000 6 12052 12054 12057 12055 12054 C 108.221000 102.714000 -2.521000 1 12053 12055 12062 12056 12055 O 107.793000 101.940000 -1.669000 2 12054 12057 12056 H 108.420924 104.830180 -4.594446 4 12052 12058 12057 CH2 106.119000 103.538000 -3.592000 9 12053 12058 12059 12058 CH2 106.415000 102.749000 -4.883000 16 12057 12059 12060 12059 C 105.221000 102.481000 -5.764000 17 12058 12060 12061 12061 12060 O 104.181000 103.131000 -5.737000 18 12059 12062 12061 O 105.439000 101.480000 -6.591000 18 12059 12063 12062 N 109.366000 102.484000 -3.144000 3 12054 12063 12066 12064 12063 CH 110.063000 101.296000 -2.720000 6 12062 12064 12067 12065 12064 C 110.328000 101.163000 -1.231000 1 12063 12065 12079 12066 12065 O 110.051000 100.119000 -0.641000 2 12064 12067 12066 H 109.900333 103.267455 -3.491544 4 12062 12068 12067 CH2 111.225000 100.974000 -3.568000 9 12063 12068 12069 12068 CH2 110.709000 100.624000 -4.938000 57 12067 12069 12070 12069 CH2 111.846000 100.549000 -5.952000 56 12068 12070 12071 12070 N 111.430000 99.914000 -7.179000 54 12069 12071 12074 12072 12071 C 112.161000 99.143000 -7.982000 53 12070 12072 12073 12073 12072 N 113.426000 98.795000 -7.689000 51 12071 12075 12076 12074 12073 N 111.586000 98.713000 -9.129000 51 12071 12077 12078 12075 12074 H 110.471812 100.079214 -7.452277 55 12070 12076 12075 H 113.890784 99.098586 -6.845251 52 12072 12077 12076 H 113.931526 98.207645 -8.336733 52 12072 12078 12077 H 110.639813 98.955609 -9.385849 52 12073 12079 12078 H 112.122767 98.127133 -9.752491 52 12073 12080 12079 N 110.778000 102.248000 -0.620000 3 12064 12080 12083 12081 12080 CH 111.107000 102.201000 0.791000 6 12079 12081 12084 12082 12081 C 109.923000 101.956000 1.718000 1 12080 12082 12085 12083 12082 O 110.094000 101.507000 2.887000 2 12081 12084 12083 H 110.655818 103.146594 -1.064636 4 12079 12085 12084 CH3 111.842000 103.467000 1.201000 7 12080 12086 12085 N 108.706000 102.195000 1.195000 3 12081 12086 12089 12087 12086 CH 107.506000 102.007000 2.055000 6 12085 12087 12090 12088 12087 C 106.936000 100.620000 2.162000 1 12086 12088 12095 12089 12088 O 107.354000 99.644000 1.520000 2 12087 12090 12089 H 108.594739 102.189442 0.191162 4 12085 12091 12090 CH2 106.407000 103.078000 1.953000 9 12086 12091 12092 12091 CH2 106.962000 104.487000 1.547000 16 12090 12092 12093 12092 C 107.714000 105.173000 2.677000 17 12091 12093 12094 12094 12093 O 108.809000 105.715000 2.497000 18 12092 12095 12094 O 107.063000 105.138000 3.861000 18 12092 12096 12095 N 105.978000 100.590000 3.033000 3 12087 12096 12099 12097 12096 CH 105.334000 99.392000 3.373000 6 12095 12097 12100 12098 12097 C 104.602000 98.868000 2.169000 1 12096 12098 12103 12099 12098 O 104.009000 99.640000 1.430000 2 12097 12100 12099 H 105.607360 101.461730 3.383446 4 12095 12101 12100 CH2 104.633000 99.373000 4.741000 22 12096 12101 12102 12101 O 103.406000 100.077000 4.711000 23 12100 12102 12103 12102 H 103.038525 100.022536 5.574479 24 12101 12104 12103 N 104.725000 97.560000 1.970000 3 12097 12104 12107 12105 12104 CH 104.153000 96.872000 0.847000 6 12103 12105 12108 12106 12105 C 102.648000 96.761000 0.879000 1 12104 12106 12112 12107 12106 O 102.032000 96.599000 -0.180000 2 12105 12108 12107 H 105.248795 97.020969 2.644673 4 12103 12109 12108 CH2 104.806000 95.494000 0.722000 9 12104 12109 12110 12109 CH 106.157000 95.619000 0.024000 8 12108 12110 12111 12111 12110 CH3 106.428000 94.364000 -0.784000 7 12109 12112 12111 CH3 106.152000 96.815000 -0.916000 7 12109 12113 12112 N 102.106000 96.890000 2.107000 3 12105 12113 12116 12114 12113 CH 100.700000 96.770000 2.464000 30 12112 12114 12117 12115 12114 C 100.230000 97.772000 3.536000 17 12113 12115 12121 12116 12115 O 98.998000 97.912000 3.778000 18 12114 12117 12116 H 102.745864 97.092059 2.861882 4 12112 12118 12117 CH2 100.472000 95.344000 2.963000 9 12113 12118 12119 12118 CH 101.484000 94.334000 2.409000 8 12117 12119 12120 12120 12119 CH3 101.555000 93.124000 3.358000 7 12118 12121 12120 CH3 100.976000 93.862000 1.045000 7 12118 12122 12121 O 101.068000 98.453000 4.189000 18 12114 12123