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5.296936 -9.940635 3.529898 2 691 698 696 H 3.706864 -5.654965 -0.134102 2 686 699 697 O 4.501900 -10.411623 7.790397 1 699 700 700 698 O 6.752850 -9.158516 6.865603 1 701 708 701 699 H 4.501900 -10.420980 8.766486 2 697 702 700 H 4.501900 -11.413640 7.462102 2 697 703 701 H 7.547886 -9.553865 7.193898 2 698 704 702 O 4.501900 -5.183977 4.126397 1 704 705 705 703 O 2.250950 -6.437084 10.529603 1 706 707 706 704 H 4.501900 -5.174620 5.102486 2 702 707 705 H 4.501900 -4.181960 3.798102 2 702 708 706 H 1.455914 -6.041735 10.857898 2 703 709 707 H 3.045986 -6.041735 10.857898 2 703 710 708 H 5.957814 -9.553865 7.193898 2 698 711 709 O 6.752850 -6.512723 7.790397 1 711 712 712 710 O 4.501900 -5.259616 6.865603 1 713 720 713 711 H 6.752850 -6.522080 8.766486 2 709 714 712 H 6.752850 -7.514740 7.462102 2 709 715 713 H 5.296936 -5.654965 7.193898 2 710 716 714 O 6.752850 -9.082877 4.126397 1 716 717 717 715 O 4.501900 -10.335984 10.529603 1 718 719 718 716 H 6.752850 -9.073520 5.102486 2 714 719 717 H 6.752850 -8.080860 3.798102 2 714 720 718 H 3.706864 -9.940635 10.857898 2 715 721 719 H 5.296936 -9.940635 10.857898 2 715 722 720 H 3.706864 -5.654965 7.193898 2 710 723 721 O 4.501900 -2.613823 -6.865603 1 723 724 724 722 O 6.752850 -1.360716 -7.790397 1 725 732 725 723 H 4.501900 -2.623180 -5.889514 2 721 726 724 H 4.501900 -3.615840 -7.193898 2 721 727 725 H 7.547886 -1.756065 -7.462102 2 722 728 726 O 4.501900 2.613823 -10.529603 1 728 729 729 727 O 2.250950 1.360716 -4.126397 1 730 731 730 728 H 4.501900 2.623180 -9.553514 2 726 731 729 H 4.501900 3.615840 -10.857898 2 726 732 730 H 1.455914 1.756065 -3.798102 2 727 733 731 H 3.045986 1.756065 -3.798102 2 727 734 732 H 5.957814 -1.756065 -7.462102 2 722 735 733 O 6.752850 1.285077 -6.865603 1 735 736 736 734 O 4.501900 2.538184 -7.790397 1 737 744 737 735 H 6.752850 1.275720 -5.889514 2 733 738 736 H 6.752850 0.283060 -7.193898 2 733 739 737 H 5.296936 2.142835 -7.462102 2 734 740 738 O 6.752850 -1.285077 -10.529603 1 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2 757 763 761 H 5.296936 2.142835 -0.134102 2 758 764 762 O 6.752850 -1.285077 -3.201603 1 764 765 765 763 O 4.501900 -2.538184 3.201603 1 766 767 766 764 H 6.752850 -1.275720 -2.225514 2 762 767 765 H 6.752850 -0.283060 -3.529898 2 762 768 766 H 3.706864 -2.142835 3.529898 2 763 769 767 H 5.296936 -2.142835 3.529898 2 763 770 768 H 3.706864 2.142835 -0.134102 2 758 771 769 O 4.501900 -2.613823 7.790397 1 771 772 772 770 O 6.752850 -1.360716 6.865603 1 773 780 773 771 H 4.501900 -2.623180 8.766486 2 769 774 772 H 4.501900 -3.615840 7.462102 2 769 775 773 H 7.547886 -1.756065 7.193898 2 770 776 774 O 4.501900 2.613823 4.126397 1 776 777 777 775 O 2.250950 1.360716 10.529603 1 778 779 778 776 H 4.501900 2.623180 5.102486 2 774 779 777 H 4.501900 3.615840 3.798102 2 774 780 778 H 1.455914 1.756065 10.857898 2 775 781 779 H 3.045986 1.756065 10.857898 2 775 782 780 H 5.957814 -1.756065 7.193898 2 770 783 781 O 6.752850 1.285077 7.790397 1 783 784 784 782 O 4.501900 2.538184 6.865603 1 785 792 785 783 H 6.752850 1.275720 8.766486 2 781 786 784 H 6.752850 0.283060 7.462102 2 781 787 785 H 5.296936 2.142835 7.193898 2 782 788 786 O 6.752850 -1.285077 4.126397 1 788 789 789 787 O 4.501900 -2.538184 10.529603 1 790 791 790 788 H 6.752850 -1.275720 5.102486 2 786 791 789 H 6.752850 -0.283060 3.798102 2 786 792 790 H 3.706864 -2.142835 10.857898 2 787 793 791 H 5.296936 -2.142835 10.857898 2 787 794 792 H 3.706864 2.142835 7.193898 2 782 795 793 O 4.501900 5.183977 -6.865603 1 795 796 796 794 O 6.752850 6.437084 -7.790397 1 797 804 797 795 H 4.501900 5.174620 -5.889514 2 793 798 796 H 4.501900 4.181960 -7.193898 2 793 799 797 H 7.547886 6.041735 -7.462102 2 794 800 798 O 4.501900 10.411623 -10.529603 1 800 801 801 799 O 2.250950 9.158516 -4.126397 1 802 803 802 800 H 4.501900 10.420980 -9.553514 2 798 803 801 H 4.501900 11.413640 -10.857898 2 798 804 802 H 1.455914 9.553865 -3.798102 2 799 805 803 H 3.045986 9.553865 -3.798102 2 799 806 804 H 5.957814 6.041735 -7.462102 2 794 807 805 O 6.752850 9.082877 -6.865603 1 807 808 808 806 O 4.501900 10.335984 -7.790397 1 809 816 809 807 H 6.752850 9.073520 -5.889514 2 805 810 808 H 6.752850 8.080860 -7.193898 2 805 811 809 H 5.296936 9.940635 -7.462102 2 806 812 810 O 6.752850 6.512723 -10.529603 1 812 813 813 811 O 4.501900 5.259616 -4.126397 1 814 815 814 812 H 6.752850 6.522080 -9.553514 2 810 815 813 H 6.752850 7.514740 -10.857898 2 810 816 814 H 3.706864 5.654965 -3.798102 2 811 817 815 H 5.296936 5.654965 -3.798102 2 811 818 816 H 3.706864 9.940635 -7.462102 2 806 819 817 O 4.501900 5.183977 0.462397 1 819 820 820 818 O 6.752850 6.437084 -0.462397 1 821 828 821 819 H 4.501900 5.174620 1.438486 2 817 822 820 H 4.501900 4.181960 0.134102 2 817 823 821 H 7.547886 6.041735 -0.134102 2 818 824 822 O 4.501900 10.411623 -3.201603 1 824 825 825 823 O 2.250950 9.158516 3.201603 1 826 827 826 824 H 4.501900 10.420980 -2.225514 2 822 827 825 H 4.501900 11.413640 -3.529898 2 822 828 826 H 1.455914 9.553865 3.529898 2 823 829 827 H 3.045986 9.553865 3.529898 2 823 830 828 H 5.957814 6.041735 -0.134102 2 818 831 829 O 6.752850 9.082877 0.462397 1 831 832 832 830 O 4.501900 10.335984 -0.462397 1 833 840 833 831 H 6.752850 9.073520 1.438486 2 829 834 832 H 6.752850 8.080860 0.134102 2 829 835 833 H 5.296936 9.940635 -0.134102 2 830 836 834 O 6.752850 6.512723 -3.201603 1 836 837 837 835 O 4.501900 5.259616 3.201603 1 838 839 838 836 H 6.752850 6.522080 -2.225514 2 834 839 837 H 6.752850 7.514740 -3.529898 2 834 840 838 H 3.706864 5.654965 3.529898 2 835 841 839 H 5.296936 5.654965 3.529898 2 835 842 840 H 3.706864 9.940635 -0.134102 2 830 843 841 O 4.501900 5.183977 7.790397 1 843 844 844 842 O 6.752850 6.437084 6.865603 1 845 852 845 843 H 4.501900 5.174620 8.766486 2 841 846 844 H 4.501900 4.181960 7.462102 2 841 847 845 H 7.547886 6.041735 7.193898 2 842 848 846 O 4.501900 10.411623 4.126397 1 848 849 849 847 O 2.250950 9.158516 10.529603 1 850 851 850 848 H 4.501900 10.420980 5.102486 2 846 851 849 H 4.501900 11.413640 3.798102 2 846 852 850 H 1.455914 9.553865 10.857898 2 847 853 851 H 3.045986 9.553865 10.857898 2 847 854 852 H 5.957814 6.041735 7.193898 2 842 855 853 O 6.752850 9.082877 7.790397 1 855 856 856 854 O 4.501900 10.335984 6.865603 1 857 864 857 855 H 6.752850 9.073520 8.766486 2 853 858 856 H 6.752850 8.080860 7.462102 2 853 859 857 H 5.296936 9.940635 7.193898 2 854 860 858 O 6.752850 6.512723 4.126397 1 860 861 861 859 O 4.501900 5.259616 10.529603 1 862 863 862 860 H 6.752850 6.522080 5.102486 2 858 863 861 H 6.752850 7.514740 3.798102 2 858 864 862 H 3.706864 5.654965 10.857898 2 859 865 863 H 5.296936 5.654965 10.857898 2 859 866 864 H 3.706864 9.940635 7.193898 2 854 867 865 O 9.003800 -10.411623 -6.865603 1 867 868 868 866 O 11.254750 -9.158516 -7.790397 1 869 876 869 867 H 9.003800 -10.420980 -5.889514 2 865 870 868 H 9.003800 -11.413640 -7.193898 2 865 871 869 H 12.049786 -9.553865 -7.462102 2 866 872 870 O 9.003800 -5.183977 -10.529603 1 872 873 873 871 O 6.752850 -6.437084 -4.126397 1 874 875 874 872 H 9.003800 -5.174620 -9.553514 2 870 875 873 H 9.003800 -4.181960 -10.857898 2 870 876 874 H 5.957814 -6.041735 -3.798102 2 871 877 875 H 7.547886 -6.041735 -3.798102 2 871 878 876 H 10.459714 -9.553865 -7.462102 2 866 879 877 O 11.254750 -6.512723 -6.865603 1 879 880 880 878 O 9.003800 -5.259616 -7.790397 1 881 888 881 879 H 11.254750 -6.522080 -5.889514 2 877 882 880 H 11.254750 -7.514740 -7.193898 2 877 883 881 H 9.798836 -5.654965 -7.462102 2 878 884 882 O 11.254750 -9.082877 -10.529603 1 884 885 885 883 O 9.003800 -10.335984 -4.126397 1 886 887 886 884 H 11.254750 -9.073520 -9.553514 2 882 887 885 H 11.254750 -8.080860 -10.857898 2 882 888 886 H 8.208764 -9.940635 -3.798102 2 883 889 887 H 9.798836 -9.940635 -3.798102 2 883 890 888 H 8.208764 -5.654965 -7.462102 2 878 891 889 O 9.003800 -10.411623 0.462397 1 891 892 892 890 O 11.254750 -9.158516 -0.462397 1 893 900 893 891 H 9.003800 -10.420980 1.438486 2 889 894 892 H 9.003800 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916 914 O 11.254750 -9.158516 6.865603 1 917 924 917 915 H 9.003800 -10.420980 8.766486 2 913 918 916 H 9.003800 -11.413640 7.462102 2 913 919 917 H 12.049786 -9.553865 7.193898 2 914 920 918 O 9.003800 -5.183977 4.126397 1 920 921 921 919 O 6.752850 -6.437084 10.529603 1 922 923 922 920 H 9.003800 -5.174620 5.102486 2 918 923 921 H 9.003800 -4.181960 3.798102 2 918 924 922 H 5.957814 -6.041735 10.857898 2 919 925 923 H 7.547886 -6.041735 10.857898 2 919 926 924 H 10.459714 -9.553865 7.193898 2 914 927 925 O 11.254750 -6.512723 7.790397 1 927 928 928 926 O 9.003800 -5.259616 6.865603 1 929 936 929 927 H 11.254750 -6.522080 8.766486 2 925 930 928 H 11.254750 -7.514740 7.462102 2 925 931 929 H 9.798836 -5.654965 7.193898 2 926 932 930 O 11.254750 -9.082877 4.126397 1 932 933 933 931 O 9.003800 -10.335984 10.529603 1 934 935 934 932 H 11.254750 -9.073520 5.102486 2 930 935 933 H 11.254750 -8.080860 3.798102 2 930 936 934 H 8.208764 -9.940635 10.857898 2 931 937 935 H 9.798836 -9.940635 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H 11.254750 -0.283060 -10.857898 2 954 960 958 H 8.208764 -2.142835 -3.798102 2 955 961 959 H 9.798836 -2.142835 -3.798102 2 955 962 960 H 8.208764 2.142835 -7.462102 2 950 963 961 O 9.003800 -2.613823 0.462397 1 963 964 964 962 O 11.254750 -1.360716 -0.462397 1 965 972 965 963 H 9.003800 -2.623180 1.438486 2 961 966 964 H 9.003800 -3.615840 0.134102 2 961 967 965 H 12.049786 -1.756065 -0.134102 2 962 968 966 O 9.003800 2.613823 -3.201603 1 968 969 969 967 O 6.752850 1.360716 3.201603 1 970 971 970 968 H 9.003800 2.623180 -2.225514 2 966 971 969 H 9.003800 3.615840 -3.529898 2 966 972 970 H 5.957814 1.756065 3.529898 2 967 973 971 H 7.547886 1.756065 3.529898 2 967 974 972 H 10.459714 -1.756065 -0.134102 2 962 975 973 O 11.254750 1.285077 0.462397 1 975 976 976 974 O 9.003800 2.538184 -0.462397 1 977 984 977 975 H 11.254750 1.275720 1.438486 2 973 978 976 H 11.254750 0.283060 0.134102 2 973 979 977 H 9.798836 2.142835 -0.134102 2 974 980 978 O 11.254750 -1.285077 -3.201603 1 980 981 981 979 O 9.003800 -2.538184 3.201603 1 982 983 982 980 H 11.254750 -1.275720 -2.225514 2 978 983 981 H 11.254750 -0.283060 -3.529898 2 978 984 982 H 8.208764 -2.142835 3.529898 2 979 985 983 H 9.798836 -2.142835 3.529898 2 979 986 984 H 8.208764 2.142835 -0.134102 2 974 987 985 O 9.003800 -2.613823 7.790397 1 987 988 988 986 O 11.254750 -1.360716 6.865603 1 989 996 989 987 H 9.003800 -2.623180 8.766486 2 985 990 988 H 9.003800 -3.615840 7.462102 2 985 991 989 H 12.049786 -1.756065 7.193898 2 986 992 990 O 9.003800 2.613823 4.126397 1 992 993 993 991 O 6.752850 1.360716 10.529603 1 994 995 994 992 H 9.003800 2.623180 5.102486 2 990 995 993 H 9.003800 3.615840 3.798102 2 990 996 994 H 5.957814 1.756065 10.857898 2 991 997 995 H 7.547886 1.756065 10.857898 2 991 998 996 H 10.459714 -1.756065 7.193898 2 986 999 997 O 11.254750 1.285077 7.790397 1 999 1000 1000 998 O 9.003800 2.538184 6.865603 1 1001 1008 1001 999 H 11.254750 1.275720 8.766486 2 997 1002 1000 H 11.254750 0.283060 7.462102 2 997 1003 1001 H 9.798836 2.142835 7.193898 2 998 1004 1002 O 11.254750 -1.285077 4.126397 1 1004 1005 1005 1003 O 9.003800 -2.538184 10.529603 1 1006 1007 1006 1004 H 11.254750 -1.275720 5.102486 2 1002 1007 1005 H 11.254750 -0.283060 3.798102 2 1002 1008 1006 H 8.208764 -2.142835 10.857898 2 1003 1009 1007 H 9.798836 -2.142835 10.857898 2 1003 1010 1008 H 8.208764 2.142835 7.193898 2 998 1011 1009 O 9.003800 5.183977 -6.865603 1 1011 1012 1012 1010 O 11.254750 6.437084 -7.790397 1 1013 1020 1013 1011 H 9.003800 5.174620 -5.889514 2 1009 1014 1012 H 9.003800 4.181960 -7.193898 2 1009 1015 1013 H 12.049786 6.041735 -7.462102 2 1010 1016 1014 O 9.003800 10.411623 -10.529603 1 1016 1017 1017 1015 O 6.752850 9.158516 -4.126397 1 1018 1019 1018 1016 H 9.003800 10.420980 -9.553514 2 1014 1019 1017 H 9.003800 11.413640 -10.857898 2 1014 1020 1018 H 5.957814 9.553865 -3.798102 2 1015 1021 1019 H 7.547886 9.553865 -3.798102 2 1015 1022 1020 H 10.459714 6.041735 -7.462102 2 1010 1023 1021 O 11.254750 9.082877 -6.865603 1 1023 1024 1024 1022 O 9.003800 10.335984 -7.790397 1 1025 1032 1025 1023 H 11.254750 9.073520 -5.889514 2 1021 1026 1024 H 11.254750 8.080860 -7.193898 2 1021 1027 1025 H 9.798836 9.940635 -7.462102 2 1022 1028 1026 O 11.254750 6.512723 -10.529603 1 1028 1029 1029 1027 O 9.003800 5.259616 -4.126397 1 1030 1031 1030 1028 H 11.254750 6.522080 -9.553514 2 1026 1031 1029 H 11.254750 7.514740 -10.857898 2 1026 1032 1030 H 8.208764 5.654965 -3.798102 2 1027 1033 1031 H 9.798836 5.654965 -3.798102 2 1027 1034 1032 H 8.208764 9.940635 -7.462102 2 1022 1035 1033 O 9.003800 5.183977 0.462397 1 1035 1036 1036 1034 O 11.254750 6.437084 -0.462397 1 1037 1044 1037 1035 H 9.003800 5.174620 1.438486 2 1033 1038 1036 H 9.003800 4.181960 0.134102 2 1033 1039 1037 H 12.049786 6.041735 -0.134102 2 1034 1040 1038 O 9.003800 10.411623 -3.201603 1 1040 1041 1041 1039 O 6.752850 9.158516 3.201603 1 1042 1043 1042 1040 H 9.003800 10.420980 -2.225514 2 1038 1043 1041 H 9.003800 11.413640 -3.529898 2 1038 1044 1042 H 5.957814 9.553865 3.529898 2 1039 1045 1043 H 7.547886 9.553865 3.529898 2 1039 1046 1044 H 10.459714 6.041735 -0.134102 2 1034 1047 1045 O 11.254750 9.082877 0.462397 1 1047 1048 1048 1046 O 9.003800 10.335984 -0.462397 1 1049 1056 1049 1047 H 11.254750 9.073520 1.438486 2 1045 1050 1048 H 11.254750 8.080860 0.134102 2 1045 1051 1049 H 9.798836 9.940635 -0.134102 2 1046 1052 1050 O 11.254750 6.512723 -3.201603 1 1052 1053 1053 1051 O 9.003800 5.259616 3.201603 1 1054 1055 1054 1052 H 11.254750 6.522080 -2.225514 2 1050 1055 1053 H 11.254750 7.514740 -3.529898 2 1050 1056 1054 H 8.208764 5.654965 3.529898 2 1051 1057 1055 H 9.798836 5.654965 3.529898 2 1051 1058 1056 H 8.208764 9.940635 -0.134102 2 1046 1059 1057 O 9.003800 5.183977 7.790397 1 1059 1060 1060 1058 O 11.254750 6.437084 6.865603 1 1061 1068 1061 1059 H 9.003800 5.174620 8.766486 2 1057 1062 1060 H 9.003800 4.181960 7.462102 2 1057 1063 1061 H 12.049786 6.041735 7.193898 2 1058 1064 1062 O 9.003800 10.411623 4.126397 1 1064 1065 1065 1063 O 6.752850 9.158516 10.529603 1 1066 1067 1066 1064 H 9.003800 10.420980 5.102486 2 1062 1067 1065 H 9.003800 11.413640 3.798102 2 1062 1068 1066 H 5.957814 9.553865 10.857898 2 1063 1069 1067 H 7.547886 9.553865 10.857898 2 1063 1070 1068 H 10.459714 6.041735 7.193898 2 1058 1071 1069 O 11.254750 9.082877 7.790397 1 1071 1072 1072 1070 O 9.003800 10.335984 6.865603 1 1073 1080 1073 1071 H 11.254750 9.073520 8.766486 2 1069 1074 1072 H 11.254750 8.080860 7.462102 2 1069 1075 1073 H 9.798836 9.940635 7.193898 2 1070 1076 1074 O 11.254750 6.512723 4.126397 1 1076 1077 1077 1075 O 9.003800 5.259616 10.529603 1 1078 1079 1078 1076 H 11.254750 6.522080 5.102486 2 1074 1079 1077 H 11.254750 7.514740 3.798102 2 1074 1080 1078 H 8.208764 5.654965 10.857898 2 1075 1081 1079 H 9.798836 5.654965 10.857898 2 1075 1082 1080 H 8.208764 9.940635 7.193898 2 1070 1083