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Running
| data_ZnH-MFU-4l | |
| _audit_creation_date 2025-01-22 | |
| _audit_creation_method 'Materials Studio' | |
| _symmetry_space_group_name_H-M 'P1' | |
| _symmetry_Int_Tables_number 1 | |
| _symmetry_cell_setting triclinic | |
| loop_ | |
| _symmetry_equiv_pos_as_xyz | |
| x,y,z | |
| _cell_length_a 31.0196 | |
| _cell_length_b 31.0196 | |
| _cell_length_c 31.0196 | |
| _cell_angle_alpha 90.0000 | |
| _cell_angle_beta 90.0000 | |
| _cell_angle_gamma 90.0000 | |
| loop_ | |
| _atom_site_label | |
| _atom_site_type_symbol | |
| _atom_site_fract_x | |
| _atom_site_fract_y | |
| _atom_site_fract_z | |
| _atom_site_U_iso_or_equiv | |
| _atom_site_adp_type | |
| _atom_site_occupancy | |
| Zn1 Zn 0.31463 0.31463 0.18537 0.05500 Uiso 1.00 | |
| O2 H 0.34403 0.34404 0.15596 0.05760 Uiso 1.00 | |
| Zn3 Zn 0.68537 0.68537 0.18537 0.05500 Uiso 1.00 | |
| O4 H 0.65597 0.65596 0.15596 0.05760 Uiso 1.00 | |
| Zn5 Zn 0.18537 0.18537 0.18537 0.05500 Uiso 1.00 | |
| O6 H 0.15597 0.15596 0.15596 0.05760 Uiso 1.00 | |
| Zn7 Zn 0.68537 0.31463 0.81463 0.05500 Uiso 1.00 | |
| O8 H 0.65597 0.34404 0.84404 0.05760 Uiso 1.00 | |
| Zn9 Zn 0.18537 0.31463 0.31463 0.05500 Uiso 1.00 | |
| O10 H 0.15597 0.34404 0.34404 0.05760 Uiso 1.00 | |
| Zn11 Zn 0.31462 0.68538 0.81462 0.05500 Uiso 1.00 | |
| O12 H 0.34404 0.65596 0.84404 0.05760 Uiso 1.00 | |
| Zn13 Zn 0.31463 0.18537 0.31463 0.05500 Uiso 1.00 | |
| O14 H 0.34403 0.15596 0.34404 0.05760 Uiso 1.00 | |
| Zn15 Zn 0.18538 0.81462 0.81462 0.05500 Uiso 1.00 | |
| O16 H 0.15597 0.84404 0.84404 0.05760 Uiso 1.00 | |
| Zn17 Zn 0.18538 0.68538 0.68538 0.05500 Uiso 1.00 | |
| O18 H 0.15597 0.65596 0.65596 0.05760 Uiso 1.00 | |
| Zn19 Zn 0.81463 0.68537 0.31463 0.05500 Uiso 1.00 | |
| O20 H 0.84403 0.65596 0.34404 0.05760 Uiso 1.00 | |
| Zn21 Zn 0.81463 0.18537 0.81463 0.05500 Uiso 1.00 | |
| O22 H 0.84403 0.15596 0.84404 0.05760 Uiso 1.00 | |
| Zn23 Zn 0.81463 0.31463 0.68537 0.05500 Uiso 1.00 | |
| O24 H 0.84403 0.34404 0.65596 0.05760 Uiso 1.00 | |
| Zn25 Zn 0.81463 0.81463 0.18537 0.05500 Uiso 1.00 | |
| O26 H 0.84403 0.84404 0.15596 0.05760 Uiso 1.00 | |
| Zn27 Zn 0.68537 0.18537 0.68537 0.05500 Uiso 1.00 | |
| O28 H 0.65597 0.15596 0.65596 0.05760 Uiso 1.00 | |
| Zn29 Zn 0.31462 0.81462 0.68538 0.05500 Uiso 1.00 | |
| O30 H 0.34403 0.84404 0.65596 0.05760 Uiso 1.00 | |
| Zn31 Zn 0.68537 0.81463 0.31463 0.05500 Uiso 1.00 | |
| O32 H 0.65597 0.84404 0.34404 0.05760 Uiso 1.00 | |
| Zn33 Zn 0.31463 0.31463 0.81463 0.05500 Uiso 1.00 | |
| O34 H 0.34403 0.34404 0.84404 0.05760 Uiso 1.00 | |
| Zn35 Zn 0.68537 0.68537 0.81463 0.05500 Uiso 1.00 | |
| O36 H 0.65597 0.65596 0.84404 0.05760 Uiso 1.00 | |
| Zn37 Zn 0.68537 0.18537 0.31463 0.05500 Uiso 1.00 | |
| O38 H 0.65597 0.15596 0.34404 0.05760 Uiso 1.00 | |
| Zn39 Zn 0.18538 0.68538 0.31462 0.05500 Uiso 1.00 | |
| O40 H 0.15597 0.65596 0.34404 0.05760 Uiso 1.00 | |
| Zn41 Zn 0.31462 0.68538 0.18538 0.05500 Uiso 1.00 | |
| O42 H 0.34403 0.65596 0.15596 0.05760 Uiso 1.00 | |
| Zn43 Zn 0.68537 0.31463 0.18537 0.05500 Uiso 1.00 | |
| O44 H 0.65597 0.34404 0.15596 0.05760 Uiso 1.00 | |
| Zn45 Zn 0.18538 0.81462 0.18538 0.05500 Uiso 1.00 | |
| O46 H 0.15597 0.84404 0.15596 0.05760 Uiso 1.00 | |
| Zn47 Zn 0.31463 0.18537 0.68537 0.05500 Uiso 1.00 | |
| O48 H 0.34403 0.15596 0.65596 0.05760 Uiso 1.00 | |
| Zn49 Zn 0.18537 0.18537 0.81463 0.05500 Uiso 1.00 | |
| O50 H 0.15597 0.15596 0.84404 0.05760 Uiso 1.00 | |
| Zn51 Zn 0.68537 0.81463 0.68537 0.05500 Uiso 1.00 | |
| O52 H 0.65597 0.84404 0.65596 0.05760 Uiso 1.00 | |
| Zn53 Zn 0.18537 0.31463 0.68537 0.05500 Uiso 1.00 | |
| O54 H 0.15597 0.34404 0.65596 0.05760 Uiso 1.00 | |
| Zn55 Zn 0.31462 0.81462 0.31462 0.05500 Uiso 1.00 | |
| O56 H 0.34404 0.84404 0.34404 0.05760 Uiso 1.00 | |
| Zn57 Zn 0.81463 0.31463 0.31463 0.05500 Uiso 1.00 | |
| O58 H 0.84403 0.34404 0.34404 0.05760 Uiso 1.00 | |
| Zn59 Zn 0.81463 0.81463 0.81463 0.05500 Uiso 1.00 | |
| O60 H 0.84403 0.84404 0.84404 0.05760 Uiso 1.00 | |
| Zn61 Zn 0.81463 0.68537 0.68537 0.05500 Uiso 1.00 | |
| O62 H 0.84403 0.65596 0.65596 0.05760 Uiso 1.00 | |
| Zn63 Zn 0.81463 0.18537 0.18537 0.05500 Uiso 1.00 | |
| O64 H 0.84403 0.15596 0.15596 0.05760 Uiso 1.00 | |
| Zn65 Zn 0.25000 0.25000 0.25000 0.05500 Uiso 1.00 | |
| Zn66 Zn 0.75000 0.75000 0.25000 0.05500 Uiso 1.00 | |
| Zn67 Zn 0.75000 0.25000 0.75000 0.05500 Uiso 1.00 | |
| Zn68 Zn 0.25000 0.75000 0.75000 0.05500 Uiso 1.00 | |
| Zn69 Zn 0.25000 0.25000 0.75000 0.05500 Uiso 1.00 | |
| Zn70 Zn 0.75000 0.75000 0.75000 0.05500 Uiso 1.00 | |
| Zn71 Zn 0.75000 0.25000 0.25000 0.05500 Uiso 1.00 | |
| Zn72 Zn 0.25000 0.75000 0.25000 0.05500 Uiso 1.00 | |
| N73 N 0.34050 0.27501 0.22499 0.05600 Uiso 1.00 | |
| C74 C 0.38230 0.26679 0.23321 0.06100 Uiso 1.00 | |
| C75 C 0.42100 0.28292 0.21708 0.06100 Uiso 1.00 | |
| C76 C 0.46090 0.26659 0.23341 0.06100 Uiso 1.00 | |
| H77 H 0.42094 0.30413 0.19587 0.03800 Uiso 1.00 | |
| N78 N 0.84050 0.27501 0.72499 0.05600 Uiso 1.00 | |
| C79 C 0.88230 0.26679 0.73321 0.06100 Uiso 1.00 | |
| C80 C 0.92100 0.28292 0.71708 0.06100 Uiso 1.00 | |
| C81 C 0.96090 0.26659 0.73341 0.06100 Uiso 1.00 | |
| H82 H 0.92094 0.30413 0.69587 0.03800 Uiso 1.00 | |
| N83 N 0.65950 0.72499 0.22499 0.05600 Uiso 1.00 | |
| C84 C 0.61770 0.73321 0.23321 0.06100 Uiso 1.00 | |
| C85 C 0.57900 0.71708 0.21708 0.06100 Uiso 1.00 | |
| C86 C 0.53910 0.73341 0.23341 0.06100 Uiso 1.00 | |
| H87 H 0.57906 0.69587 0.19587 0.03800 Uiso 1.00 | |
| N88 N 0.15950 0.72499 0.72499 0.05600 Uiso 1.00 | |
| C89 C 0.11770 0.73321 0.73321 0.06100 Uiso 1.00 | |
| C90 C 0.07900 0.71708 0.71708 0.06100 Uiso 1.00 | |
| C91 C 0.03910 0.73341 0.73341 0.06100 Uiso 1.00 | |
| H92 H 0.07906 0.69587 0.69587 0.03800 Uiso 1.00 | |
| N93 N 0.15950 0.22499 0.22499 0.05600 Uiso 1.00 | |
| C94 C 0.11770 0.23321 0.23321 0.06100 Uiso 1.00 | |
| C95 C 0.07900 0.21708 0.21708 0.06100 Uiso 1.00 | |
| C96 C 0.03910 0.23341 0.23341 0.06100 Uiso 1.00 | |
| H97 H 0.07906 0.19587 0.19587 0.03800 Uiso 1.00 | |
| N98 N 0.65950 0.27501 0.77501 0.05600 Uiso 1.00 | |
| C99 C 0.61770 0.26679 0.76679 0.06100 Uiso 1.00 | |
| C100 C 0.57900 0.28292 0.78292 0.06100 Uiso 1.00 | |
| C101 C 0.53910 0.26659 0.76659 0.06100 Uiso 1.00 | |
| H102 H 0.57906 0.30413 0.80413 0.03800 Uiso 1.00 | |
| N103 N 0.15950 0.27501 0.27501 0.05600 Uiso 1.00 | |
| C104 C 0.11770 0.26679 0.26679 0.06100 Uiso 1.00 | |
| C105 C 0.07900 0.28292 0.28292 0.06100 Uiso 1.00 | |
| C106 C 0.03910 0.26659 0.26659 0.06100 Uiso 1.00 | |
| H107 H 0.07906 0.30413 0.30413 0.03800 Uiso 1.00 | |
| N108 N 0.34050 0.72499 0.77501 0.05600 Uiso 1.00 | |
| C109 C 0.38230 0.73321 0.76679 0.06100 Uiso 1.00 | |
| C110 C 0.42100 0.71708 0.78292 0.06100 Uiso 1.00 | |
| C111 C 0.46090 0.73341 0.76659 0.06100 Uiso 1.00 | |
| H112 H 0.42094 0.69587 0.80413 0.03800 Uiso 1.00 | |
| N113 N 0.34050 0.22499 0.27501 0.05600 Uiso 1.00 | |
| C114 C 0.38230 0.23321 0.26679 0.06100 Uiso 1.00 | |
| C115 C 0.42100 0.21708 0.28292 0.06100 Uiso 1.00 | |
| C116 C 0.46090 0.23341 0.26659 0.06100 Uiso 1.00 | |
| H117 H 0.42094 0.19587 0.30413 0.03800 Uiso 1.00 | |
| N118 N 0.84050 0.72499 0.27501 0.05600 Uiso 1.00 | |
| C119 C 0.88230 0.73321 0.26679 0.06100 Uiso 1.00 | |
| C120 C 0.92100 0.71708 0.28292 0.06100 Uiso 1.00 | |
| C121 C 0.96090 0.73341 0.26659 0.06100 Uiso 1.00 | |
| H122 H 0.92094 0.69587 0.30413 0.03800 Uiso 1.00 | |
| N123 N 0.22499 0.34050 0.27501 0.05600 Uiso 1.00 | |
| C124 C 0.23321 0.38230 0.26679 0.06100 Uiso 1.00 | |
| C125 C 0.21708 0.42100 0.28292 0.06100 Uiso 1.00 | |
| C126 C 0.23341 0.46090 0.26659 0.06100 Uiso 1.00 | |
| H127 H 0.19587 0.42094 0.30413 0.03800 Uiso 1.00 | |
| N128 N 0.22499 0.84050 0.77501 0.05600 Uiso 1.00 | |
| C129 C 0.23321 0.88230 0.76679 0.06100 Uiso 1.00 | |
| C130 C 0.21708 0.92100 0.78292 0.06100 Uiso 1.00 | |
| C131 C 0.23341 0.96090 0.76659 0.06100 Uiso 1.00 | |
| H132 H 0.19587 0.92094 0.80413 0.03800 Uiso 1.00 | |
| N133 N 0.22499 0.65950 0.72499 0.05600 Uiso 1.00 | |
| C134 C 0.23321 0.61770 0.73321 0.06100 Uiso 1.00 | |
| C135 C 0.21708 0.57900 0.71708 0.06100 Uiso 1.00 | |
| C136 C 0.23341 0.53910 0.73341 0.06100 Uiso 1.00 | |
| H137 H 0.19587 0.57906 0.69587 0.03800 Uiso 1.00 | |
| N138 N 0.22499 0.15950 0.22499 0.05600 Uiso 1.00 | |
| C139 C 0.23321 0.11770 0.23321 0.06100 Uiso 1.00 | |
| C140 C 0.21708 0.07900 0.21708 0.06100 Uiso 1.00 | |
| C141 C 0.23341 0.03910 0.23341 0.06100 Uiso 1.00 | |
| H142 H 0.19587 0.07906 0.19587 0.03800 Uiso 1.00 | |
| N143 N 0.77501 0.65950 0.27501 0.05600 Uiso 1.00 | |
| C144 C 0.76679 0.61770 0.26679 0.06100 Uiso 1.00 | |
| C145 C 0.78292 0.57900 0.28292 0.06100 Uiso 1.00 | |
| C146 C 0.76659 0.53910 0.26659 0.06100 Uiso 1.00 | |
| H147 H 0.80413 0.57906 0.30413 0.03800 Uiso 1.00 | |
| N148 N 0.77501 0.15950 0.77501 0.05600 Uiso 1.00 | |
| C149 C 0.76679 0.11770 0.76679 0.06100 Uiso 1.00 | |
| C150 C 0.78292 0.07900 0.78292 0.06100 Uiso 1.00 | |
| C151 C 0.76659 0.03910 0.76659 0.06100 Uiso 1.00 | |
| H152 H 0.80413 0.07906 0.80413 0.03800 Uiso 1.00 | |
| N153 N 0.27501 0.15950 0.27501 0.05600 Uiso 1.00 | |
| C154 C 0.26679 0.11770 0.26679 0.06100 Uiso 1.00 | |
| C155 C 0.28292 0.07900 0.28292 0.06100 Uiso 1.00 | |
| C156 C 0.26659 0.03910 0.26659 0.06100 Uiso 1.00 | |
| H157 H 0.30413 0.07906 0.30413 0.03800 Uiso 1.00 | |
| N158 N 0.77501 0.34050 0.72499 0.05600 Uiso 1.00 | |
| C159 C 0.76679 0.38230 0.73321 0.06100 Uiso 1.00 | |
| C160 C 0.78292 0.42100 0.71708 0.06100 Uiso 1.00 | |
| C161 C 0.76659 0.46090 0.73341 0.06100 Uiso 1.00 | |
| H162 H 0.80413 0.42094 0.69587 0.03800 Uiso 1.00 | |
| N163 N 0.77501 0.84050 0.22499 0.05600 Uiso 1.00 | |
| C164 C 0.76679 0.88230 0.23321 0.06100 Uiso 1.00 | |
| C165 C 0.78292 0.92100 0.21708 0.06100 Uiso 1.00 | |
| C166 C 0.76659 0.96090 0.23341 0.06100 Uiso 1.00 | |
| H167 H 0.80413 0.92094 0.19587 0.03800 Uiso 1.00 | |
| N168 N 0.27501 0.34050 0.22499 0.05600 Uiso 1.00 | |
| C169 C 0.26679 0.38230 0.23321 0.06100 Uiso 1.00 | |
| C170 C 0.28292 0.42100 0.21708 0.06100 Uiso 1.00 | |
| C171 C 0.26659 0.46090 0.23341 0.06100 Uiso 1.00 | |
| H172 H 0.30413 0.42094 0.19587 0.03800 Uiso 1.00 | |
| N173 N 0.27501 0.22499 0.34050 0.05600 Uiso 1.00 | |
| C174 C 0.26679 0.23321 0.38230 0.06100 Uiso 1.00 | |
| C175 C 0.28292 0.21708 0.42100 0.06100 Uiso 1.00 | |
| C176 C 0.26659 0.23341 0.46090 0.06100 Uiso 1.00 | |
| H177 H 0.30413 0.19587 0.42094 0.03800 Uiso 1.00 | |
| N178 N 0.27501 0.72499 0.84050 0.05600 Uiso 1.00 | |
| C179 C 0.26679 0.73321 0.88230 0.06100 Uiso 1.00 | |
| C180 C 0.28292 0.71708 0.92100 0.06100 Uiso 1.00 | |
| C181 C 0.26659 0.73341 0.96090 0.06100 Uiso 1.00 | |
| H182 H 0.30413 0.69587 0.92094 0.03800 Uiso 1.00 | |
| N183 N 0.72499 0.22499 0.65950 0.05600 Uiso 1.00 | |
| C184 C 0.73321 0.23321 0.61770 0.06100 Uiso 1.00 | |
| C185 C 0.71708 0.21708 0.57900 0.06100 Uiso 1.00 | |
| C186 C 0.73341 0.23341 0.53910 0.06100 Uiso 1.00 | |
| H187 H 0.69587 0.19587 0.57906 0.03800 Uiso 1.00 | |
| N188 N 0.72499 0.72499 0.15950 0.05600 Uiso 1.00 | |
| C189 C 0.73321 0.73321 0.11770 0.06100 Uiso 1.00 | |
| C190 C 0.71708 0.71708 0.07900 0.06100 Uiso 1.00 | |
| C191 C 0.73341 0.73341 0.03910 0.06100 Uiso 1.00 | |
| H192 H 0.69587 0.69587 0.07906 0.03800 Uiso 1.00 | |
| N193 N 0.22499 0.22499 0.15950 0.05600 Uiso 1.00 | |
| C194 C 0.23321 0.23321 0.11770 0.06100 Uiso 1.00 | |
| C195 C 0.21708 0.21708 0.07900 0.06100 Uiso 1.00 | |
| C196 C 0.23341 0.23341 0.03910 0.06100 Uiso 1.00 | |
| H197 H 0.19587 0.19587 0.07906 0.03800 Uiso 1.00 | |
| N198 N 0.27501 0.77501 0.65950 0.05600 Uiso 1.00 | |
| C199 C 0.26679 0.76679 0.61770 0.06100 Uiso 1.00 | |
| C200 C 0.28292 0.78292 0.57900 0.06100 Uiso 1.00 | |
| C201 C 0.26659 0.76659 0.53910 0.06100 Uiso 1.00 | |
| H202 H 0.30413 0.80413 0.57906 0.03800 Uiso 1.00 | |
| N203 N 0.27501 0.27501 0.15950 0.05600 Uiso 1.00 | |
| C204 C 0.26679 0.26679 0.11770 0.06100 Uiso 1.00 | |
| C205 C 0.28292 0.28292 0.07900 0.06100 Uiso 1.00 | |
| C206 C 0.26659 0.26659 0.03910 0.06100 Uiso 1.00 | |
| H207 H 0.30413 0.30413 0.07906 0.03800 Uiso 1.00 | |
| N208 N 0.72499 0.77501 0.34050 0.05600 Uiso 1.00 | |
| C209 C 0.73321 0.76679 0.38230 0.06100 Uiso 1.00 | |
| C210 C 0.71708 0.78292 0.42100 0.06100 Uiso 1.00 | |
| C211 C 0.73341 0.76659 0.46090 0.06100 Uiso 1.00 | |
| H212 H 0.69587 0.80413 0.42094 0.03800 Uiso 1.00 | |
| N213 N 0.72499 0.27501 0.84050 0.05600 Uiso 1.00 | |
| C214 C 0.73321 0.26679 0.88230 0.06100 Uiso 1.00 | |
| C215 C 0.71708 0.28292 0.92100 0.06100 Uiso 1.00 | |
| C216 C 0.73341 0.26659 0.96090 0.06100 Uiso 1.00 | |
| H217 H 0.69587 0.30413 0.92094 0.03800 Uiso 1.00 | |
| N218 N 0.22499 0.27501 0.34050 0.05600 Uiso 1.00 | |
| C219 C 0.23321 0.26679 0.38230 0.06100 Uiso 1.00 | |
| C220 C 0.21708 0.28292 0.42100 0.06100 Uiso 1.00 | |
| C221 C 0.23341 0.26659 0.46090 0.06100 Uiso 1.00 | |
| H222 H 0.19587 0.30413 0.42094 0.03800 Uiso 1.00 | |
| N223 N 0.27501 0.34050 0.77501 0.05600 Uiso 1.00 | |
| C224 C 0.26679 0.38230 0.76679 0.06100 Uiso 1.00 | |
| C225 C 0.28292 0.42100 0.78292 0.06100 Uiso 1.00 | |
| C226 C 0.26659 0.46090 0.76659 0.06100 Uiso 1.00 | |
| H227 H 0.30413 0.42094 0.80413 0.03800 Uiso 1.00 | |
| N228 N 0.27501 0.84050 0.27501 0.05600 Uiso 1.00 | |
| C229 C 0.26679 0.88230 0.26679 0.06100 Uiso 1.00 | |
| C230 C 0.28292 0.92100 0.28292 0.06100 Uiso 1.00 | |
| C231 C 0.26659 0.96090 0.26659 0.06100 Uiso 1.00 | |
| H232 H 0.30413 0.92094 0.30413 0.03800 Uiso 1.00 | |
| N233 N 0.72499 0.65950 0.77501 0.05600 Uiso 1.00 | |
| C234 C 0.73321 0.61770 0.76679 0.06100 Uiso 1.00 | |
| C235 C 0.71708 0.57900 0.78292 0.06100 Uiso 1.00 | |
| C236 C 0.73341 0.53910 0.76659 0.06100 Uiso 1.00 | |
| H237 H 0.69587 0.57906 0.80413 0.03800 Uiso 1.00 | |
| N238 N 0.72499 0.15950 0.27501 0.05600 Uiso 1.00 | |
| C239 C 0.73321 0.11770 0.26679 0.06100 Uiso 1.00 | |
| C240 C 0.71708 0.07900 0.28292 0.06100 Uiso 1.00 | |
| C241 C 0.73341 0.03910 0.26659 0.06100 Uiso 1.00 | |
| H242 H 0.69587 0.07906 0.30413 0.03800 Uiso 1.00 | |
| N243 N 0.22499 0.65950 0.27501 0.05600 Uiso 1.00 | |
| C244 C 0.23321 0.61770 0.26679 0.06100 Uiso 1.00 | |
| C245 C 0.21708 0.57900 0.28292 0.06100 Uiso 1.00 | |
| C246 C 0.23341 0.53910 0.26659 0.06100 Uiso 1.00 | |
| H247 H 0.19587 0.57906 0.30413 0.03800 Uiso 1.00 | |
| N248 N 0.27501 0.65950 0.22499 0.05600 Uiso 1.00 | |
| C249 C 0.26679 0.61770 0.23321 0.06100 Uiso 1.00 | |
| C250 C 0.28292 0.57900 0.21708 0.06100 Uiso 1.00 | |
| C251 C 0.26659 0.53910 0.23341 0.06100 Uiso 1.00 | |
| H252 H 0.30413 0.57906 0.19587 0.03800 Uiso 1.00 | |
| N253 N 0.27501 0.15950 0.72499 0.05600 Uiso 1.00 | |
| C254 C 0.26679 0.11770 0.73321 0.06100 Uiso 1.00 | |
| C255 C 0.28292 0.07900 0.71708 0.06100 Uiso 1.00 | |
| C256 C 0.26659 0.03910 0.73341 0.06100 Uiso 1.00 | |
| H257 H 0.30413 0.07906 0.69587 0.03800 Uiso 1.00 | |
| N258 N 0.72499 0.34050 0.22499 0.05600 Uiso 1.00 | |
| C259 C 0.73321 0.38230 0.23321 0.06100 Uiso 1.00 | |
| C260 C 0.71708 0.42100 0.21708 0.06100 Uiso 1.00 | |
| C261 C 0.73341 0.46090 0.23341 0.06100 Uiso 1.00 | |
| H262 H 0.69587 0.42094 0.19587 0.03800 Uiso 1.00 | |
| N263 N 0.72499 0.84050 0.72499 0.05600 Uiso 1.00 | |
| C264 C 0.73321 0.88230 0.73321 0.06100 Uiso 1.00 | |
| C265 C 0.71708 0.92100 0.71708 0.06100 Uiso 1.00 | |
| C266 C 0.73341 0.96090 0.73341 0.06100 Uiso 1.00 | |
| H267 H 0.69587 0.92094 0.69587 0.03800 Uiso 1.00 | |
| N268 N 0.22499 0.84050 0.22499 0.05600 Uiso 1.00 | |
| C269 C 0.23321 0.88230 0.23321 0.06100 Uiso 1.00 | |
| C270 C 0.21708 0.92100 0.21708 0.06100 Uiso 1.00 | |
| C271 C 0.23341 0.96090 0.23341 0.06100 Uiso 1.00 | |
| H272 H 0.19587 0.92094 0.19587 0.03800 Uiso 1.00 | |
| N273 N 0.34050 0.22499 0.72499 0.05600 Uiso 1.00 | |
| C274 C 0.38230 0.23321 0.73321 0.06100 Uiso 1.00 | |
| C275 C 0.42100 0.21708 0.71708 0.06100 Uiso 1.00 | |
| C276 C 0.46090 0.23341 0.73341 0.06100 Uiso 1.00 | |
| H277 H 0.42094 0.19587 0.69587 0.03800 Uiso 1.00 | |
| N278 N 0.84050 0.22499 0.22499 0.05600 Uiso 1.00 | |
| C279 C 0.88230 0.23321 0.23321 0.06100 Uiso 1.00 | |
| C280 C 0.92100 0.21708 0.21708 0.06100 Uiso 1.00 | |
| C281 C 0.96090 0.23341 0.23341 0.06100 Uiso 1.00 | |
| H282 H 0.92094 0.19587 0.19587 0.03800 Uiso 1.00 | |
| N283 N 0.65950 0.22499 0.27501 0.05600 Uiso 1.00 | |
| C284 C 0.61770 0.23321 0.26679 0.06100 Uiso 1.00 | |
| C285 C 0.57900 0.21708 0.28292 0.06100 Uiso 1.00 | |
| C286 C 0.53910 0.23341 0.26659 0.06100 Uiso 1.00 | |
| H287 H 0.57906 0.19587 0.30413 0.03800 Uiso 1.00 | |
| N288 N 0.15950 0.22499 0.77501 0.05600 Uiso 1.00 | |
| C289 C 0.11770 0.23321 0.76679 0.06100 Uiso 1.00 | |
| C290 C 0.07900 0.21708 0.78292 0.06100 Uiso 1.00 | |
| C291 C 0.03910 0.23341 0.76659 0.06100 Uiso 1.00 | |
| H292 H 0.07906 0.19587 0.80413 0.03800 Uiso 1.00 | |
| N293 N 0.65950 0.77501 0.72499 0.05600 Uiso 1.00 | |
| C294 C 0.61770 0.76679 0.73321 0.06100 Uiso 1.00 | |
| C295 C 0.57900 0.78292 0.71708 0.06100 Uiso 1.00 | |
| C296 C 0.53910 0.76659 0.73341 0.06100 Uiso 1.00 | |
| H297 H 0.57906 0.80413 0.69587 0.03800 Uiso 1.00 | |
| N298 N 0.65950 0.27501 0.22499 0.05600 Uiso 1.00 | |
| C299 C 0.61770 0.26679 0.23321 0.06100 Uiso 1.00 | |
| C300 C 0.57900 0.28292 0.21708 0.06100 Uiso 1.00 | |
| C301 C 0.53910 0.26659 0.23341 0.06100 Uiso 1.00 | |
| H302 H 0.57906 0.30413 0.19587 0.03800 Uiso 1.00 | |
| N303 N 0.15950 0.77501 0.22499 0.05600 Uiso 1.00 | |
| C304 C 0.11770 0.76679 0.23321 0.06100 Uiso 1.00 | |
| C305 C 0.07900 0.78292 0.21708 0.06100 Uiso 1.00 | |
| C306 C 0.03910 0.76659 0.23341 0.06100 Uiso 1.00 | |
| H307 H 0.07906 0.80413 0.19587 0.03800 Uiso 1.00 | |
| N308 N 0.34050 0.77501 0.27501 0.05600 Uiso 1.00 | |
| C309 C 0.38230 0.76679 0.26679 0.06100 Uiso 1.00 | |
| C310 C 0.42100 0.78292 0.28292 0.06100 Uiso 1.00 | |
| C311 C 0.46090 0.76659 0.26659 0.06100 Uiso 1.00 | |
| H312 H 0.42094 0.80413 0.30413 0.03800 Uiso 1.00 | |
| N313 N 0.84050 0.77501 0.77501 0.05600 Uiso 1.00 | |
| C314 C 0.88230 0.76679 0.76679 0.06100 Uiso 1.00 | |
| C315 C 0.92100 0.78292 0.78292 0.06100 Uiso 1.00 | |
| C316 C 0.96090 0.76659 0.76659 0.06100 Uiso 1.00 | |
| H317 H 0.92094 0.80413 0.80413 0.03800 Uiso 1.00 | |
| N318 N 0.84050 0.27501 0.27501 0.05600 Uiso 1.00 | |
| C319 C 0.88230 0.26679 0.26679 0.06100 Uiso 1.00 | |
| C320 C 0.92100 0.28292 0.28292 0.06100 Uiso 1.00 | |
| C321 C 0.96090 0.26659 0.26659 0.06100 Uiso 1.00 | |
| H322 H 0.92094 0.30413 0.30413 0.03800 Uiso 1.00 | |
| N323 N 0.22499 0.27501 0.65950 0.05600 Uiso 1.00 | |
| C324 C 0.23321 0.26679 0.61770 0.06100 Uiso 1.00 | |
| C325 C 0.21708 0.28292 0.57900 0.06100 Uiso 1.00 | |
| C326 C 0.23341 0.26659 0.53910 0.06100 Uiso 1.00 | |
| H327 H 0.19587 0.30413 0.57906 0.03800 Uiso 1.00 | |
| N328 N 0.22499 0.77501 0.15950 0.05600 Uiso 1.00 | |
| C329 C 0.23321 0.76679 0.11770 0.06100 Uiso 1.00 | |
| C330 C 0.21708 0.78292 0.07900 0.06100 Uiso 1.00 | |
| C331 C 0.23341 0.76659 0.03910 0.06100 Uiso 1.00 | |
| H332 H 0.19587 0.80413 0.07906 0.03800 Uiso 1.00 | |
| N333 N 0.22499 0.72499 0.34050 0.05600 Uiso 1.00 | |
| C334 C 0.23321 0.73321 0.38230 0.06100 Uiso 1.00 | |
| C335 C 0.21708 0.71708 0.42100 0.06100 Uiso 1.00 | |
| C336 C 0.23341 0.73341 0.46090 0.06100 Uiso 1.00 | |
| H337 H 0.19587 0.69587 0.42094 0.03800 Uiso 1.00 | |
| N338 N 0.22499 0.22499 0.84050 0.05600 Uiso 1.00 | |
| C339 C 0.23321 0.23321 0.88230 0.06100 Uiso 1.00 | |
| C340 C 0.21708 0.21708 0.92100 0.06100 Uiso 1.00 | |
| C341 C 0.23341 0.23341 0.96090 0.06100 Uiso 1.00 | |
| H342 H 0.19587 0.19587 0.92094 0.03800 Uiso 1.00 | |
| N343 N 0.77501 0.27501 0.34050 0.05600 Uiso 1.00 | |
| C344 C 0.76679 0.26679 0.38230 0.06100 Uiso 1.00 | |
| C345 C 0.78292 0.28292 0.42100 0.06100 Uiso 1.00 | |
| C346 C 0.76659 0.26659 0.46090 0.06100 Uiso 1.00 | |
| H347 H 0.80413 0.30413 0.42094 0.03800 Uiso 1.00 | |
| N348 N 0.77501 0.77501 0.84050 0.05600 Uiso 1.00 | |
| C349 C 0.76679 0.76679 0.88230 0.06100 Uiso 1.00 | |
| C350 C 0.78292 0.78292 0.92100 0.06100 Uiso 1.00 | |
| C351 C 0.76659 0.76659 0.96090 0.06100 Uiso 1.00 | |
| H352 H 0.80413 0.80413 0.92094 0.03800 Uiso 1.00 | |
| N353 N 0.27501 0.27501 0.84050 0.05600 Uiso 1.00 | |
| C354 C 0.26679 0.26679 0.88230 0.06100 Uiso 1.00 | |
| C355 C 0.28292 0.28292 0.92100 0.06100 Uiso 1.00 | |
| C356 C 0.26659 0.26659 0.96090 0.06100 Uiso 1.00 | |
| H357 H 0.30413 0.30413 0.92094 0.03800 Uiso 1.00 | |
| N358 N 0.77501 0.72499 0.65950 0.05600 Uiso 1.00 | |
| C359 C 0.76679 0.73321 0.61770 0.06100 Uiso 1.00 | |
| C360 C 0.78292 0.71708 0.57900 0.06100 Uiso 1.00 | |
| C361 C 0.76659 0.73341 0.53910 0.06100 Uiso 1.00 | |
| H362 H 0.80413 0.69587 0.57906 0.03800 Uiso 1.00 | |
| N363 N 0.77501 0.22499 0.15950 0.05600 Uiso 1.00 | |
| C364 C 0.76679 0.23321 0.11770 0.06100 Uiso 1.00 | |
| C365 C 0.78292 0.21708 0.07900 0.06100 Uiso 1.00 | |
| C366 C 0.76659 0.23341 0.03910 0.06100 Uiso 1.00 | |
| H367 H 0.80413 0.19587 0.07906 0.03800 Uiso 1.00 | |
| N368 N 0.27501 0.22499 0.65950 0.05600 Uiso 1.00 | |
| C369 C 0.26679 0.23321 0.61770 0.06100 Uiso 1.00 | |
| C370 C 0.28292 0.21708 0.57900 0.06100 Uiso 1.00 | |
| C371 C 0.26659 0.23341 0.53910 0.06100 Uiso 1.00 | |
| H372 H 0.30413 0.19587 0.57906 0.03800 Uiso 1.00 | |
| N373 N 0.65950 0.72499 0.77501 0.05600 Uiso 1.00 | |
| C374 C 0.61770 0.73321 0.76679 0.06100 Uiso 1.00 | |
| C375 C 0.57900 0.71708 0.78292 0.06100 Uiso 1.00 | |
| C376 C 0.53910 0.73341 0.76659 0.06100 Uiso 1.00 | |
| H377 H 0.57906 0.69587 0.80413 0.03800 Uiso 1.00 | |
| N378 N 0.15950 0.72499 0.27501 0.05600 Uiso 1.00 | |
| C379 C 0.11770 0.73321 0.26679 0.06100 Uiso 1.00 | |
| C380 C 0.07900 0.71708 0.28292 0.06100 Uiso 1.00 | |
| C381 C 0.03910 0.73341 0.26659 0.06100 Uiso 1.00 | |
| H382 H 0.07906 0.69587 0.30413 0.03800 Uiso 1.00 | |
| N383 N 0.34050 0.27501 0.77501 0.05600 Uiso 1.00 | |
| C384 C 0.38230 0.26679 0.76679 0.06100 Uiso 1.00 | |
| C385 C 0.42100 0.28292 0.78292 0.06100 Uiso 1.00 | |
| C386 C 0.46090 0.26659 0.76659 0.06100 Uiso 1.00 | |
| H387 H 0.42094 0.30413 0.80413 0.03800 Uiso 1.00 | |
| N388 N 0.34050 0.72499 0.22499 0.05600 Uiso 1.00 | |
| C389 C 0.38230 0.73321 0.23321 0.06100 Uiso 1.00 | |
| C390 C 0.42100 0.71708 0.21708 0.06100 Uiso 1.00 | |
| C391 C 0.46090 0.73341 0.23341 0.06100 Uiso 1.00 | |
| H392 H 0.42094 0.69587 0.19587 0.03800 Uiso 1.00 | |
| N393 N 0.84050 0.72499 0.72499 0.05600 Uiso 1.00 | |
| C394 C 0.88230 0.73321 0.73321 0.06100 Uiso 1.00 | |
| C395 C 0.92100 0.71708 0.71708 0.06100 Uiso 1.00 | |
| C396 C 0.96090 0.73341 0.73341 0.06100 Uiso 1.00 | |
| H397 H 0.92094 0.69587 0.69587 0.03800 Uiso 1.00 | |
| N398 N 0.15950 0.27501 0.72499 0.05600 Uiso 1.00 | |
| C399 C 0.11770 0.26679 0.73321 0.06100 Uiso 1.00 | |
| C400 C 0.07900 0.28292 0.71708 0.06100 Uiso 1.00 | |
| C401 C 0.03910 0.26659 0.73341 0.06100 Uiso 1.00 | |
| H402 H 0.07906 0.30413 0.69587 0.03800 Uiso 1.00 | |
| N403 N 0.77501 0.65950 0.72499 0.05600 Uiso 1.00 | |
| C404 C 0.76679 0.61770 0.73321 0.06100 Uiso 1.00 | |
| C405 C 0.78292 0.57900 0.71708 0.06100 Uiso 1.00 | |
| C406 C 0.76659 0.53910 0.73341 0.06100 Uiso 1.00 | |
| H407 H 0.80413 0.57906 0.69587 0.03800 Uiso 1.00 | |
| N408 N 0.77501 0.15950 0.22499 0.05600 Uiso 1.00 | |
| C409 C 0.76679 0.11770 0.23321 0.06100 Uiso 1.00 | |
| C410 C 0.78292 0.07900 0.21708 0.06100 Uiso 1.00 | |
| C411 C 0.76659 0.03910 0.23341 0.06100 Uiso 1.00 | |
| H412 H 0.80413 0.07906 0.19587 0.03800 Uiso 1.00 | |
| N413 N 0.77501 0.34050 0.27501 0.05600 Uiso 1.00 | |
| C414 C 0.76679 0.38230 0.26679 0.06100 Uiso 1.00 | |
| C415 C 0.78292 0.42100 0.28292 0.06100 Uiso 1.00 | |
| C416 C 0.76659 0.46090 0.26659 0.06100 Uiso 1.00 | |
| H417 H 0.80413 0.42094 0.30413 0.03800 Uiso 1.00 | |
| N418 N 0.77501 0.84050 0.77501 0.05600 Uiso 1.00 | |
| C419 C 0.76679 0.88230 0.76679 0.06100 Uiso 1.00 | |
| C420 C 0.78292 0.92100 0.78292 0.06100 Uiso 1.00 | |
| C421 C 0.76659 0.96090 0.76659 0.06100 Uiso 1.00 | |
| H422 H 0.80413 0.92094 0.80413 0.03800 Uiso 1.00 | |
| N423 N 0.22499 0.34050 0.72499 0.05600 Uiso 1.00 | |
| C424 C 0.23321 0.38230 0.73321 0.06100 Uiso 1.00 | |
| C425 C 0.21708 0.42100 0.71708 0.06100 Uiso 1.00 | |
| C426 C 0.23341 0.46090 0.73341 0.06100 Uiso 1.00 | |
| H427 H 0.19587 0.42094 0.69587 0.03800 Uiso 1.00 | |
| N428 N 0.22499 0.15950 0.77501 0.05600 Uiso 1.00 | |
| C429 C 0.23321 0.11770 0.76679 0.06100 Uiso 1.00 | |
| C430 C 0.21708 0.07900 0.78292 0.06100 Uiso 1.00 | |
| C431 C 0.23341 0.03910 0.76659 0.06100 Uiso 1.00 | |
| H432 H 0.19587 0.07906 0.80413 0.03800 Uiso 1.00 | |
| N433 N 0.72499 0.77501 0.65950 0.05600 Uiso 1.00 | |
| C434 C 0.73321 0.76679 0.61770 0.06100 Uiso 1.00 | |
| C435 C 0.71708 0.78292 0.57900 0.06100 Uiso 1.00 | |
| C436 C 0.73341 0.76659 0.53910 0.06100 Uiso 1.00 | |
| H437 H 0.69587 0.80413 0.57906 0.03800 Uiso 1.00 | |
| N438 N 0.72499 0.27501 0.15950 0.05600 Uiso 1.00 | |
| C439 C 0.73321 0.26679 0.11770 0.06100 Uiso 1.00 | |
| C440 C 0.71708 0.28292 0.07900 0.06100 Uiso 1.00 | |
| C441 C 0.73341 0.26659 0.03910 0.06100 Uiso 1.00 | |
| H442 H 0.69587 0.30413 0.07906 0.03800 Uiso 1.00 | |
| N443 N 0.27501 0.77501 0.34050 0.05600 Uiso 1.00 | |
| C444 C 0.26679 0.76679 0.38230 0.06100 Uiso 1.00 | |
| C445 C 0.28292 0.78292 0.42100 0.06100 Uiso 1.00 | |
| C446 C 0.26659 0.76659 0.46090 0.06100 Uiso 1.00 | |
| H447 H 0.30413 0.80413 0.42094 0.03800 Uiso 1.00 | |
| N448 N 0.72499 0.22499 0.34050 0.05600 Uiso 1.00 | |
| C449 C 0.73321 0.23321 0.38230 0.06100 Uiso 1.00 | |
| C450 C 0.71708 0.21708 0.42100 0.06100 Uiso 1.00 | |
| C451 C 0.73341 0.23341 0.46090 0.06100 Uiso 1.00 | |
| H452 H 0.69587 0.19587 0.42094 0.03800 Uiso 1.00 | |
| N453 N 0.72499 0.72499 0.84050 0.05600 Uiso 1.00 | |
| C454 C 0.73321 0.73321 0.88230 0.06100 Uiso 1.00 | |
| C455 C 0.71708 0.71708 0.92100 0.06100 Uiso 1.00 | |
| C456 C 0.73341 0.73341 0.96090 0.06100 Uiso 1.00 | |
| H457 H 0.69587 0.69587 0.92094 0.03800 Uiso 1.00 | |
| N458 N 0.27501 0.72499 0.15950 0.05600 Uiso 1.00 | |
| C459 C 0.26679 0.73321 0.11770 0.06100 Uiso 1.00 | |
| C460 C 0.28292 0.71708 0.07900 0.06100 Uiso 1.00 | |
| C461 C 0.26659 0.73341 0.03910 0.06100 Uiso 1.00 | |
| H462 H 0.30413 0.69587 0.07906 0.03800 Uiso 1.00 | |
| N463 N 0.72499 0.65950 0.22499 0.05600 Uiso 1.00 | |
| C464 C 0.73321 0.61770 0.23321 0.06100 Uiso 1.00 | |
| C465 C 0.71708 0.57900 0.21708 0.06100 Uiso 1.00 | |
| C466 C 0.73341 0.53910 0.23341 0.06100 Uiso 1.00 | |
| H467 H 0.69587 0.57906 0.19587 0.03800 Uiso 1.00 | |
| N468 N 0.72499 0.15950 0.72499 0.05600 Uiso 1.00 | |
| C469 C 0.73321 0.11770 0.73321 0.06100 Uiso 1.00 | |
| C470 C 0.71708 0.07900 0.71708 0.06100 Uiso 1.00 | |
| C471 C 0.73341 0.03910 0.73341 0.06100 Uiso 1.00 | |
| H472 H 0.69587 0.07906 0.69587 0.03800 Uiso 1.00 | |
| N473 N 0.27501 0.84050 0.72499 0.05600 Uiso 1.00 | |
| C474 C 0.26679 0.88230 0.73321 0.06100 Uiso 1.00 | |
| C475 C 0.28292 0.92100 0.71708 0.06100 Uiso 1.00 | |
| C476 C 0.26659 0.96090 0.73341 0.06100 Uiso 1.00 | |
| H477 H 0.30413 0.92094 0.69587 0.03800 Uiso 1.00 | |
| N478 N 0.72499 0.34050 0.77501 0.05600 Uiso 1.00 | |
| C479 C 0.73321 0.38230 0.76679 0.06100 Uiso 1.00 | |
| C480 C 0.71708 0.42100 0.78292 0.06100 Uiso 1.00 | |
| C481 C 0.73341 0.46090 0.76659 0.06100 Uiso 1.00 | |
| H482 H 0.69587 0.42094 0.80413 0.03800 Uiso 1.00 | |
| N483 N 0.72499 0.84050 0.27501 0.05600 Uiso 1.00 | |
| C484 C 0.73321 0.88230 0.26679 0.06100 Uiso 1.00 | |
| C485 C 0.71708 0.92100 0.28292 0.06100 Uiso 1.00 | |
| C486 C 0.73341 0.96090 0.26659 0.06100 Uiso 1.00 | |
| H487 H 0.69587 0.92094 0.30413 0.03800 Uiso 1.00 | |
| N488 N 0.27501 0.65950 0.77501 0.05600 Uiso 1.00 | |
| C489 C 0.26679 0.61770 0.76679 0.06100 Uiso 1.00 | |
| C490 C 0.28292 0.57900 0.78292 0.06100 Uiso 1.00 | |
| C491 C 0.26659 0.53910 0.76659 0.06100 Uiso 1.00 | |
| H492 H 0.30413 0.57906 0.80413 0.03800 Uiso 1.00 | |
| N493 N 0.65950 0.77501 0.27501 0.05600 Uiso 1.00 | |
| C494 C 0.61770 0.76679 0.26679 0.06100 Uiso 1.00 | |
| C495 C 0.57900 0.78292 0.28292 0.06100 Uiso 1.00 | |
| C496 C 0.53910 0.76659 0.26659 0.06100 Uiso 1.00 | |
| H497 H 0.57906 0.80413 0.30413 0.03800 Uiso 1.00 | |
| N498 N 0.15950 0.77501 0.77501 0.05600 Uiso 1.00 | |
| C499 C 0.11770 0.76679 0.76679 0.06100 Uiso 1.00 | |
| C500 C 0.07900 0.78292 0.78292 0.06100 Uiso 1.00 | |
| C501 C 0.03910 0.76659 0.76659 0.06100 Uiso 1.00 | |
| H502 H 0.07906 0.80413 0.80413 0.03800 Uiso 1.00 | |
| N503 N 0.34050 0.77501 0.72499 0.05600 Uiso 1.00 | |
| C504 C 0.38230 0.76679 0.73321 0.06100 Uiso 1.00 | |
| C505 C 0.42100 0.78292 0.71708 0.06100 Uiso 1.00 | |
| C506 C 0.46090 0.76659 0.73341 0.06100 Uiso 1.00 | |
| H507 H 0.42094 0.80413 0.69587 0.03800 Uiso 1.00 | |
| N508 N 0.84050 0.77501 0.22499 0.05600 Uiso 1.00 | |
| C509 C 0.88230 0.76679 0.23321 0.06100 Uiso 1.00 | |
| C510 C 0.92100 0.78292 0.21708 0.06100 Uiso 1.00 | |
| C511 C 0.96090 0.76659 0.23341 0.06100 Uiso 1.00 | |
| H512 H 0.92094 0.80413 0.19587 0.03800 Uiso 1.00 | |
| N513 N 0.84050 0.22499 0.77501 0.05600 Uiso 1.00 | |
| C514 C 0.88230 0.23321 0.76679 0.06100 Uiso 1.00 | |
| C515 C 0.92100 0.21708 0.78292 0.06100 Uiso 1.00 | |
| C516 C 0.96090 0.23341 0.76659 0.06100 Uiso 1.00 | |
| H517 H 0.92094 0.19587 0.80413 0.03800 Uiso 1.00 | |
| N518 N 0.65950 0.22499 0.72499 0.05600 Uiso 1.00 | |
| C519 C 0.61770 0.23321 0.73321 0.06100 Uiso 1.00 | |
| C520 C 0.57900 0.21708 0.71708 0.06100 Uiso 1.00 | |
| C521 C 0.53910 0.23341 0.73341 0.06100 Uiso 1.00 | |
| H522 H 0.57906 0.19587 0.69587 0.03800 Uiso 1.00 | |
| N523 N 0.77501 0.72499 0.34050 0.05600 Uiso 1.00 | |
| C524 C 0.76679 0.73321 0.38230 0.06100 Uiso 1.00 | |
| C525 C 0.78292 0.71708 0.42100 0.06100 Uiso 1.00 | |
| C526 C 0.76659 0.73341 0.46090 0.06100 Uiso 1.00 | |
| H527 H 0.80413 0.69587 0.42094 0.03800 Uiso 1.00 | |
| N528 N 0.77501 0.22499 0.84050 0.05600 Uiso 1.00 | |
| C529 C 0.76679 0.23321 0.88230 0.06100 Uiso 1.00 | |
| C530 C 0.78292 0.21708 0.92100 0.06100 Uiso 1.00 | |
| C531 C 0.76659 0.23341 0.96090 0.06100 Uiso 1.00 | |
| H532 H 0.80413 0.19587 0.92094 0.03800 Uiso 1.00 | |
| N533 N 0.77501 0.27501 0.65950 0.05600 Uiso 1.00 | |
| C534 C 0.76679 0.26679 0.61770 0.06100 Uiso 1.00 | |
| C535 C 0.78292 0.28292 0.57900 0.06100 Uiso 1.00 | |
| C536 C 0.76659 0.26659 0.53910 0.06100 Uiso 1.00 | |
| H537 H 0.80413 0.30413 0.57906 0.03800 Uiso 1.00 | |
| N538 N 0.77501 0.77501 0.15950 0.05600 Uiso 1.00 | |
| C539 C 0.76679 0.76679 0.11770 0.06100 Uiso 1.00 | |
| C540 C 0.78292 0.78292 0.07900 0.06100 Uiso 1.00 | |
| C541 C 0.76659 0.76659 0.03910 0.06100 Uiso 1.00 | |
| H542 H 0.80413 0.80413 0.07906 0.03800 Uiso 1.00 | |
| N543 N 0.22499 0.72499 0.65950 0.05600 Uiso 1.00 | |
| C544 C 0.23321 0.73321 0.61770 0.06100 Uiso 1.00 | |
| C545 C 0.21708 0.71708 0.57900 0.06100 Uiso 1.00 | |
| C546 C 0.23341 0.73341 0.53910 0.06100 Uiso 1.00 | |
| H547 H 0.19587 0.69587 0.57906 0.03800 Uiso 1.00 | |
| N548 N 0.22499 0.77501 0.84050 0.05600 Uiso 1.00 | |
| C549 C 0.23321 0.76679 0.88230 0.06100 Uiso 1.00 | |
| C550 C 0.21708 0.78292 0.92100 0.06100 Uiso 1.00 | |
| C551 C 0.23341 0.76659 0.96090 0.06100 Uiso 1.00 | |
| H552 H 0.19587 0.80413 0.92094 0.03800 Uiso 1.00 | |
| N553 N 0.31570 0.25000 0.25000 0.05600 Uiso 1.00 | |
| N554 N 0.81570 0.25000 0.75000 0.05600 Uiso 1.00 | |
| N555 N 0.68430 0.75000 0.25000 0.05600 Uiso 1.00 | |
| N556 N 0.18430 0.75000 0.75000 0.05600 Uiso 1.00 | |
| N557 N 0.18430 0.25000 0.25000 0.05600 Uiso 1.00 | |
| N558 N 0.68430 0.25000 0.75000 0.05600 Uiso 1.00 | |
| N559 N 0.31570 0.75000 0.75000 0.05600 Uiso 1.00 | |
| N560 N 0.81570 0.75000 0.25000 0.05600 Uiso 1.00 | |
| N561 N 0.25000 0.31570 0.25000 0.05600 Uiso 1.00 | |
| N562 N 0.25000 0.81570 0.75000 0.05600 Uiso 1.00 | |
| N563 N 0.25000 0.68430 0.75000 0.05600 Uiso 1.00 | |
| N564 N 0.25000 0.18430 0.25000 0.05600 Uiso 1.00 | |
| N565 N 0.75000 0.68430 0.25000 0.05600 Uiso 1.00 | |
| N566 N 0.75000 0.18430 0.75000 0.05600 Uiso 1.00 | |
| N567 N 0.75000 0.31570 0.75000 0.05600 Uiso 1.00 | |
| N568 N 0.75000 0.81570 0.25000 0.05600 Uiso 1.00 | |
| N569 N 0.25000 0.25000 0.31570 0.05600 Uiso 1.00 | |
| N570 N 0.25000 0.75000 0.81570 0.05600 Uiso 1.00 | |
| N571 N 0.75000 0.25000 0.68430 0.05600 Uiso 1.00 | |
| N572 N 0.75000 0.75000 0.18430 0.05600 Uiso 1.00 | |
| N573 N 0.25000 0.25000 0.18430 0.05600 Uiso 1.00 | |
| N574 N 0.25000 0.75000 0.68430 0.05600 Uiso 1.00 | |
| N575 N 0.75000 0.75000 0.31570 0.05600 Uiso 1.00 | |
| N576 N 0.75000 0.25000 0.81570 0.05600 Uiso 1.00 | |
| N577 N 0.25000 0.31570 0.75000 0.05600 Uiso 1.00 | |
| N578 N 0.25000 0.81570 0.25000 0.05600 Uiso 1.00 | |
| N579 N 0.75000 0.68430 0.75000 0.05600 Uiso 1.00 | |
| N580 N 0.75000 0.18430 0.25000 0.05600 Uiso 1.00 | |
| N581 N 0.25000 0.68430 0.25000 0.05600 Uiso 1.00 | |
| N582 N 0.25000 0.18430 0.75000 0.05600 Uiso 1.00 | |
| N583 N 0.75000 0.31570 0.25000 0.05600 Uiso 1.00 | |
| N584 N 0.75000 0.81570 0.75000 0.05600 Uiso 1.00 | |
| N585 N 0.31570 0.25000 0.75000 0.05600 Uiso 1.00 | |
| N586 N 0.81570 0.25000 0.25000 0.05600 Uiso 1.00 | |
| N587 N 0.68430 0.25000 0.25000 0.05600 Uiso 1.00 | |
| N588 N 0.18430 0.25000 0.75000 0.05600 Uiso 1.00 | |
| N589 N 0.68430 0.75000 0.75000 0.05600 Uiso 1.00 | |
| N590 N 0.18430 0.75000 0.25000 0.05600 Uiso 1.00 | |
| N591 N 0.31570 0.75000 0.25000 0.05600 Uiso 1.00 | |
| N592 N 0.81570 0.75000 0.75000 0.05600 Uiso 1.00 | |
| N593 N 0.25000 0.25000 0.68430 0.05600 Uiso 1.00 | |
| N594 N 0.25000 0.75000 0.18430 0.05600 Uiso 1.00 | |
| N595 N 0.25000 0.75000 0.31570 0.05600 Uiso 1.00 | |
| N596 N 0.25000 0.25000 0.81570 0.05600 Uiso 1.00 | |
| N597 N 0.75000 0.25000 0.31570 0.05600 Uiso 1.00 | |
| N598 N 0.75000 0.75000 0.81570 0.05600 Uiso 1.00 | |
| N599 N 0.75000 0.75000 0.68430 0.05600 Uiso 1.00 | |
| N600 N 0.75000 0.25000 0.18430 0.05600 Uiso 1.00 | |
| O601 O 0.50000 0.28282 0.21718 0.06100 Uiso 1.00 | |
| O602 O 0.00000 0.28282 0.71718 0.06100 Uiso 1.00 | |
| O603 O 0.50000 0.71718 0.21718 0.06100 Uiso 1.00 | |
| O604 O 0.00000 0.71718 0.71718 0.06100 Uiso 1.00 | |
| O605 O 0.50000 0.28282 0.78282 0.06100 Uiso 1.00 | |
| O606 O 0.00000 0.28282 0.28282 0.06100 Uiso 1.00 | |
| O607 O 0.50000 0.71718 0.78282 0.06100 Uiso 1.00 | |
| O608 O 0.00000 0.71718 0.28282 0.06100 Uiso 1.00 | |
| O609 O 0.21718 0.50000 0.28282 0.06100 Uiso 1.00 | |
| O610 O 0.21718 0.00000 0.78282 0.06100 Uiso 1.00 | |
| O611 O 0.21718 0.50000 0.71718 0.06100 Uiso 1.00 | |
| O612 O 0.21718 0.00000 0.21718 0.06100 Uiso 1.00 | |
| O613 O 0.78282 0.50000 0.28282 0.06100 Uiso 1.00 | |
| O614 O 0.78282 0.00000 0.78282 0.06100 Uiso 1.00 | |
| O615 O 0.78282 0.50000 0.71718 0.06100 Uiso 1.00 | |
| O616 O 0.78282 0.00000 0.21718 0.06100 Uiso 1.00 | |
| O617 O 0.28282 0.21718 0.50000 0.06100 Uiso 1.00 | |
| O618 O 0.28282 0.71718 0.00000 0.06100 Uiso 1.00 | |
| O619 O 0.71718 0.21718 0.50000 0.06100 Uiso 1.00 | |
| O620 O 0.71718 0.71718 0.00000 0.06100 Uiso 1.00 | |
| O621 O 0.28282 0.78282 0.50000 0.06100 Uiso 1.00 | |
| O622 O 0.28282 0.28282 0.00000 0.06100 Uiso 1.00 | |
| O623 O 0.71718 0.78282 0.50000 0.06100 Uiso 1.00 | |
| O624 O 0.71718 0.28282 0.00000 0.06100 Uiso 1.00 | |
| O625 O 0.28282 0.50000 0.78282 0.06100 Uiso 1.00 | |
| O626 O 0.28282 0.00000 0.28282 0.06100 Uiso 1.00 | |
| O627 O 0.71718 0.50000 0.78282 0.06100 Uiso 1.00 | |
| O628 O 0.71718 0.00000 0.28282 0.06100 Uiso 1.00 | |
| O629 O 0.28282 0.50000 0.21718 0.06100 Uiso 1.00 | |
| O630 O 0.28282 0.00000 0.71718 0.06100 Uiso 1.00 | |
| O631 O 0.71718 0.50000 0.21718 0.06100 Uiso 1.00 | |
| O632 O 0.71718 0.00000 0.71718 0.06100 Uiso 1.00 | |
| O633 O 0.50000 0.21718 0.71718 0.06100 Uiso 1.00 | |
| O634 O 0.00000 0.21718 0.21718 0.06100 Uiso 1.00 | |
| O635 O 0.50000 0.21718 0.28282 0.06100 Uiso 1.00 | |
| O636 O 0.00000 0.21718 0.78282 0.06100 Uiso 1.00 | |
| O637 O 0.50000 0.78282 0.71718 0.06100 Uiso 1.00 | |
| O638 O 0.00000 0.78282 0.21718 0.06100 Uiso 1.00 | |
| O639 O 0.50000 0.78282 0.28282 0.06100 Uiso 1.00 | |
| O640 O 0.00000 0.78282 0.78282 0.06100 Uiso 1.00 | |
| O641 O 0.21718 0.28282 0.50000 0.06100 Uiso 1.00 | |
| O642 O 0.21718 0.78282 0.00000 0.06100 Uiso 1.00 | |
| O643 O 0.21718 0.71718 0.50000 0.06100 Uiso 1.00 | |
| O644 O 0.21718 0.21718 0.00000 0.06100 Uiso 1.00 | |
| O645 O 0.78282 0.28282 0.50000 0.06100 Uiso 1.00 | |
| O646 O 0.78282 0.78282 0.00000 0.06100 Uiso 1.00 | |
| O647 O 0.78282 0.71718 0.50000 0.06100 Uiso 1.00 | |
| O648 O 0.78282 0.21718 0.00000 0.06100 Uiso 1.00 | |
| loop_ | |
| _geom_bond_atom_site_label_1 | |
| _geom_bond_atom_site_label_2 | |
| _geom_bond_distance | |
| _geom_bond_site_symmetry_2 | |
| _ccdc_geom_bond_type | |
| Zn1 O2 1.580 . S | |
| Zn1 N73 1.914 . S | |
| Zn1 N168 1.914 . S | |
| Zn1 N203 1.914 . S | |
| Zn3 O4 1.580 . S | |
| Zn3 N83 1.914 . S | |
| Zn3 N463 1.914 . S | |
| Zn3 N188 1.914 . S | |
| Zn5 O6 1.580 . S | |
| Zn5 N138 1.914 . S | |
| Zn5 N193 1.914 . S | |
| Zn5 N93 1.914 . S | |
| Zn7 O8 1.580 . S | |
| Zn7 N98 1.914 . S | |
| Zn7 N478 1.914 . S | |
| Zn7 N213 1.914 . S | |
| Zn9 O10 1.580 . S | |
| Zn9 N123 1.914 . S | |
| Zn9 N218 1.914 . S | |
| Zn9 N103 1.914 . S | |
| Zn11 O12 1.580 . S | |
| Zn11 N108 1.914 . S | |
| Zn11 N488 1.914 . S | |
| Zn11 N178 1.914 . S | |
| Zn13 O14 1.580 . S | |
| Zn13 N173 1.914 . S | |
| Zn13 N113 1.914 . S | |
| Zn13 N153 1.914 . S | |
| Zn15 O16 1.580 . S | |
| Zn15 N128 1.914 . S | |
| Zn15 N548 1.914 . S | |
| Zn15 N498 1.914 . S | |
| Zn17 O18 1.580 . S | |
| Zn17 N133 1.914 . S | |
| Zn17 N543 1.914 . S | |
| Zn17 N88 1.914 . S | |
| Zn19 O20 1.580 . S | |
| Zn19 N143 1.914 . S | |
| Zn19 N523 1.914 . S | |
| Zn19 N118 1.914 . S | |
| Zn21 O22 1.580 . S | |
| Zn21 N148 1.914 . S | |
| Zn21 N528 1.914 . S | |
| Zn21 N513 1.914 . S | |
| Zn23 O24 1.580 . S | |
| Zn23 N158 1.914 . S | |
| Zn23 N533 1.914 . S | |
| Zn23 N78 1.914 . S | |
| Zn25 O26 1.580 . S | |
| Zn25 N163 1.914 . S | |
| Zn25 N538 1.914 . S | |
| Zn25 N508 1.914 . S | |
| Zn27 O28 1.580 . S | |
| Zn27 N183 1.914 . S | |
| Zn27 N518 1.914 . S | |
| Zn27 N468 1.914 . S | |
| Zn29 O30 1.580 . S | |
| Zn29 N198 1.914 . S | |
| Zn29 N503 1.914 . S | |
| Zn29 N473 1.914 . S | |
| Zn31 O32 1.580 . S | |
| Zn31 N208 1.914 . S | |
| Zn31 N493 1.914 . S | |
| Zn31 N483 1.914 . S | |
| Zn33 O34 1.580 . S | |
| Zn33 N223 1.914 . S | |
| Zn33 N383 1.914 . S | |
| Zn33 N353 1.914 . S | |
| Zn35 O36 1.580 . S | |
| Zn35 N233 1.914 . S | |
| Zn35 N373 1.914 . S | |
| Zn35 N453 1.914 . S | |
| Zn37 O38 1.580 . S | |
| Zn37 N283 1.914 . S | |
| Zn37 N448 1.914 . S | |
| Zn37 N238 1.914 . S | |
| Zn39 O40 1.580 . S | |
| Zn39 N333 1.914 . S | |
| Zn39 N243 1.914 . S | |
| Zn39 N378 1.914 . S | |
| Zn41 O42 1.580 . S | |
| Zn41 N248 1.914 . S | |
| Zn41 N388 1.914 . S | |
| Zn41 N458 1.914 . S | |
| Zn43 O44 1.580 . S | |
| Zn43 N258 1.914 . S | |
| Zn43 N298 1.914 . S | |
| Zn43 N438 1.914 . S | |
| Zn45 O46 1.580 . S | |
| Zn45 N328 1.914 . S | |
| Zn45 N268 1.914 . S | |
| Zn45 N303 1.914 . S | |
| Zn47 O48 1.580 . S | |
| Zn47 N273 1.914 . S | |
| Zn47 N368 1.914 . S | |
| Zn47 N253 1.914 . S | |
| Zn49 O50 1.580 . S | |
| Zn49 N338 1.914 . S | |
| Zn49 N428 1.914 . S | |
| Zn49 N288 1.914 . S | |
| Zn51 O52 1.580 . S | |
| Zn51 N293 1.914 . S | |
| Zn51 N433 1.914 . S | |
| Zn51 N263 1.914 . S | |
| Zn53 O54 1.580 . S | |
| Zn53 N323 1.914 . S | |
| Zn53 N423 1.914 . S | |
| Zn53 N398 1.914 . S | |
| Zn55 O56 1.580 . S | |
| Zn55 N308 1.914 . S | |
| Zn55 N443 1.914 . S | |
| Zn55 N228 1.914 . S | |
| Zn57 O58 1.580 . S | |
| Zn57 N343 1.914 . S | |
| Zn57 N413 1.914 . S | |
| Zn57 N318 1.914 . S | |
| Zn59 O60 1.580 . S | |
| Zn59 N348 1.914 . S | |
| Zn59 N418 1.914 . S | |
| Zn59 N313 1.914 . S | |
| Zn61 O62 1.580 . S | |
| Zn61 N358 1.914 . S | |
| Zn61 N403 1.914 . S | |
| Zn61 N393 1.914 . S | |
| Zn63 O64 1.580 . S | |
| Zn63 N363 1.914 . S | |
| Zn63 N408 1.914 . S | |
| Zn63 N278 1.914 . S | |
| Zn65 N553 2.038 . S | |
| Zn65 N561 2.038 . S | |
| Zn65 N569 2.038 . S | |
| Zn65 N564 2.038 . S | |
| Zn65 N573 2.038 . S | |
| Zn65 N557 2.038 . S | |
| Zn66 N555 2.038 . S | |
| Zn66 N565 2.038 . S | |
| Zn66 N575 2.038 . S | |
| Zn66 N568 2.038 . S | |
| Zn66 N572 2.038 . S | |
| Zn66 N560 2.038 . S | |
| Zn67 N558 2.038 . S | |
| Zn67 N567 2.038 . S | |
| Zn67 N571 2.038 . S | |
| Zn67 N566 2.038 . S | |
| Zn67 N576 2.038 . S | |
| Zn67 N554 2.038 . S | |
| Zn68 N559 2.038 . S | |
| Zn68 N563 2.038 . S | |
| Zn68 N574 2.038 . S | |
| Zn68 N562 2.038 . S | |
| Zn68 N570 2.038 . S | |
| Zn68 N556 2.038 . S | |
| Zn69 N577 2.038 . S | |
| Zn69 N585 2.038 . S | |
| Zn69 N593 2.038 . S | |
| Zn69 N588 2.038 . S | |
| Zn69 N596 2.038 . S | |
| Zn69 N582 2.038 . S | |
| Zn70 N579 2.038 . S | |
| Zn70 N589 2.038 . S | |
| Zn70 N599 2.038 . S | |
| Zn70 N592 2.038 . S | |
| Zn70 N598 2.038 . S | |
| Zn70 N584 2.038 . S | |
| Zn71 N583 2.038 . S | |
| Zn71 N587 2.038 . S | |
| Zn71 N597 2.038 . S | |
| Zn71 N586 2.038 . S | |
| Zn71 N600 2.038 . S | |
| Zn71 N580 2.038 . S | |
| Zn72 N581 2.038 . S | |
| Zn72 N591 2.038 . S | |
| Zn72 N595 2.038 . S | |
| Zn72 N590 2.038 . S | |
| Zn72 N594 2.038 . S | |
| Zn72 N578 2.038 . S | |
| N73 C74 1.346 . D | |
| N73 N553 1.340 . S | |
| C74 C75 1.393 . S | |
| C74 C114 1.473 . S | |
| C75 C76 1.430 . D | |
| C75 H77 0.930 . S | |
| C76 O601 1.406 . S | |
| C76 C116 1.456 . S | |
| N78 C79 1.346 . D | |
| N78 N554 1.340 . S | |
| C79 C80 1.393 . S | |
| C79 C514 1.473 . S | |
| C80 C81 1.430 . D | |
| C80 H82 0.930 . S | |
| C81 C516 1.456 . S | |
| C81 O602 1.406 1_655 S | |
| N83 C84 1.346 . D | |
| N83 N555 1.340 . S | |
| C84 C85 1.393 . S | |
| C84 C494 1.473 . S | |
| C85 C86 1.430 . D | |
| C85 H87 0.930 . S | |
| C86 O603 1.406 . S | |
| C86 C496 1.456 . S | |
| N88 C89 1.346 . D | |
| N88 N556 1.340 . S | |
| C89 C90 1.393 . S | |
| C89 C499 1.473 . S | |
| C90 C91 1.430 . D | |
| C90 H92 0.930 . S | |
| C91 O604 1.406 . S | |
| C91 C501 1.456 . S | |
| N93 C94 1.346 . D | |
| N93 N557 1.340 . S | |
| C94 C95 1.393 . S | |
| C94 C104 1.473 . S | |
| C95 C96 1.430 . D | |
| C95 H97 0.930 . S | |
| C96 O634 1.406 . S | |
| C96 C106 1.456 . S | |
| N98 C99 1.346 . D | |
| N98 N558 1.340 . S | |
| C99 C100 1.393 . S | |
| C99 C519 1.473 . S | |
| C100 C101 1.430 . D | |
| C100 H102 0.930 . S | |
| C101 O605 1.406 . S | |
| C101 C521 1.456 . S | |
| N103 C104 1.346 . D | |
| N103 N557 1.340 . S | |
| C104 C105 1.393 . S | |
| C105 C106 1.430 . D | |
| C105 H107 0.930 . S | |
| C106 O606 1.406 . S | |
| N108 C109 1.346 . D | |
| N108 N559 1.340 . S | |
| C109 C110 1.393 . S | |
| C109 C504 1.473 . S | |
| C110 C111 1.430 . D | |
| C110 H112 0.930 . S | |
| C111 O607 1.406 . S | |
| C111 C506 1.456 . S | |
| N113 C114 1.346 . D | |
| N113 N553 1.340 . S | |
| C114 C115 1.393 . S | |
| C115 C116 1.430 . D | |
| C115 H117 0.930 . S | |
| C116 O635 1.406 . S | |
| N118 C119 1.346 . D | |
| N118 N560 1.340 . S | |
| C119 C120 1.393 . S | |
| C119 C509 1.473 . S | |
| C120 C121 1.430 . D | |
| C120 H122 0.930 . S | |
| C121 C511 1.456 . S | |
| C121 O608 1.406 1_655 S | |
| N123 C124 1.346 . D | |
| N123 N561 1.340 . S | |
| C124 C125 1.393 . S | |
| C124 C169 1.473 . S | |
| C125 C126 1.430 . D | |
| C125 H127 0.930 . S | |
| C126 O609 1.406 . S | |
| C126 C171 1.456 . S | |
| N128 C129 1.346 . D | |
| N128 N562 1.340 . S | |
| C129 C130 1.393 . S | |
| C129 C474 1.473 . S | |
| C130 C131 1.430 . D | |
| C130 H132 0.930 . S | |
| C131 C476 1.456 . S | |
| C131 O610 1.406 1_565 S | |
| N133 C134 1.346 . D | |
| N133 N563 1.340 . S | |
| C134 C135 1.393 . S | |
| C134 C489 1.473 . S | |
| C135 C136 1.430 . D | |
| C135 H137 0.930 . S | |
| C136 O611 1.406 . S | |
| C136 C491 1.456 . S | |
| N138 C139 1.346 . D | |
| N138 N564 1.340 . S | |
| C139 C140 1.393 . S | |
| C139 C154 1.473 . S | |
| C140 C141 1.430 . D | |
| C140 H142 0.930 . S | |
| C141 O612 1.406 . S | |
| C141 C156 1.456 . S | |
| N143 C144 1.346 . D | |
| N143 N565 1.340 . S | |
| C144 C145 1.393 . S | |
| C144 C464 1.473 . S | |
| C145 C146 1.430 . D | |
| C145 H147 0.930 . S | |
| C146 O613 1.406 . S | |
| C146 C466 1.456 . S | |
| N148 C149 1.346 . D | |
| N148 N566 1.340 . S | |
| C149 C150 1.393 . S | |
| C149 C469 1.473 . S | |
| C150 C151 1.430 . D | |
| C150 H152 0.930 . S | |
| C151 O614 1.406 . S | |
| C151 C471 1.456 . S | |
| N153 C154 1.346 . D | |
| N153 N564 1.340 . S | |
| C154 C155 1.393 . S | |
| C155 C156 1.430 . D | |
| C155 H157 0.930 . S | |
| C156 O626 1.406 . S | |
| N158 C159 1.346 . D | |
| N158 N567 1.340 . S | |
| C159 C160 1.393 . S | |
| C159 C479 1.473 . S | |
| C160 C161 1.430 . D | |
| C160 H162 0.930 . S | |
| C161 O615 1.406 . S | |
| C161 C481 1.456 . S | |
| N163 C164 1.346 . D | |
| N163 N568 1.340 . S | |
| C164 C165 1.393 . S | |
| C164 C484 1.473 . S | |
| C165 C166 1.430 . D | |
| C165 H167 0.930 . S | |
| C166 C486 1.456 . S | |
| C166 O616 1.406 1_565 S | |
| N168 C169 1.346 . D | |
| N168 N561 1.340 . S | |
| C169 C170 1.393 . S | |
| C170 C171 1.430 . D | |
| C170 H172 0.930 . S | |
| C171 O629 1.406 . S | |
| N173 C174 1.346 . D | |
| N173 N569 1.340 . S | |
| C174 C175 1.393 . S | |
| C174 C219 1.473 . S | |
| C175 C176 1.430 . D | |
| C175 H177 0.930 . S | |
| C176 O617 1.406 . S | |
| C176 C221 1.456 . S | |
| N178 C179 1.346 . D | |
| N178 N570 1.340 . S | |
| C179 C180 1.393 . S | |
| C179 C549 1.473 . S | |
| C180 C181 1.430 . D | |
| C180 H182 0.930 . S | |
| C181 C551 1.456 . S | |
| C181 O618 1.406 1_556 S | |
| N183 C184 1.346 . D | |
| N183 N571 1.340 . S | |
| C184 C185 1.393 . S | |
| C184 C534 1.473 . S | |
| C185 C186 1.430 . D | |
| C185 H187 0.930 . S | |
| C186 O619 1.406 . S | |
| C186 C536 1.456 . S | |
| N188 C189 1.346 . D | |
| N188 N572 1.340 . S | |
| C189 C190 1.393 . S | |
| C189 C539 1.473 . S | |
| C190 C191 1.430 . D | |
| C190 H192 0.930 . S | |
| C191 O620 1.406 . S | |
| C191 C541 1.456 . S | |
| N193 C194 1.346 . D | |
| N193 N573 1.340 . S | |
| C194 C195 1.393 . S | |
| C194 C204 1.473 . S | |
| C195 C196 1.430 . D | |
| C195 H197 0.930 . S | |
| C196 O644 1.406 . S | |
| C196 C206 1.456 . S | |
| N198 C199 1.346 . D | |
| N198 N574 1.340 . S | |
| C199 C200 1.393 . S | |
| C199 C544 1.473 . S | |
| C200 C201 1.430 . D | |
| C200 H202 0.930 . S | |
| C201 O621 1.406 . S | |
| C201 C546 1.456 . S | |
| N203 C204 1.346 . D | |
| N203 N573 1.340 . S | |
| C204 C205 1.393 . S | |
| C205 C206 1.430 . D | |
| C205 H207 0.930 . S | |
| C206 O622 1.406 . S | |
| N208 C209 1.346 . D | |
| N208 N575 1.340 . S | |
| C209 C210 1.393 . S | |
| C209 C524 1.473 . S | |
| C210 C211 1.430 . D | |
| C210 H212 0.930 . S | |
| C211 O623 1.406 . S | |
| C211 C526 1.456 . S | |
| N213 C214 1.346 . D | |
| N213 N576 1.340 . S | |
| C214 C215 1.393 . S | |
| C214 C529 1.473 . S | |
| C215 C216 1.430 . D | |
| C215 H217 0.930 . S | |
| C216 C531 1.456 . S | |
| C216 O624 1.406 1_556 S | |
| N218 C219 1.346 . D | |
| N218 N569 1.340 . S | |
| C219 C220 1.393 . S | |
| C220 C221 1.430 . D | |
| C220 H222 0.930 . S | |
| C221 O641 1.406 . S | |
| N223 C224 1.346 . D | |
| N223 N577 1.340 . S | |
| C224 C225 1.393 . S | |
| C224 C424 1.473 . S | |
| C225 C226 1.430 . D | |
| C225 H227 0.930 . S | |
| C226 O625 1.406 . S | |
| C226 C426 1.456 . S | |
| N228 C229 1.346 . D | |
| N228 N578 1.340 . S | |
| C229 C230 1.393 . S | |
| C229 C269 1.473 . S | |
| C230 C231 1.430 . D | |
| C230 H232 0.930 . S | |
| C231 C271 1.456 . S | |
| C231 O626 1.406 1_565 S | |
| N233 C234 1.346 . D | |
| N233 N579 1.340 . S | |
| C234 C235 1.393 . S | |
| C234 C404 1.473 . S | |
| C235 C236 1.430 . D | |
| C235 H237 0.930 . S | |
| C236 O627 1.406 . S | |
| C236 C406 1.456 . S | |
| N238 C239 1.346 . D | |
| N238 N580 1.340 . S | |
| C239 C240 1.393 . S | |
| C239 C409 1.473 . S | |
| C240 C241 1.430 . D | |
| C240 H242 0.930 . S | |
| C241 O628 1.406 . S | |
| C241 C411 1.456 . S | |
| N243 C244 1.346 . D | |
| N243 N581 1.340 . S | |
| C244 C245 1.393 . S | |
| C244 C249 1.473 . S | |
| C245 C246 1.430 . D | |
| C245 H247 0.930 . S | |
| C246 O609 1.406 . S | |
| C246 C251 1.456 . S | |
| N248 C249 1.346 . D | |
| N248 N581 1.340 . S | |
| C249 C250 1.393 . S | |
| C250 C251 1.430 . D | |
| C250 H252 0.930 . S | |
| C251 O629 1.406 . S | |
| N253 C254 1.346 . D | |
| N253 N582 1.340 . S | |
| C254 C255 1.393 . S | |
| C254 C429 1.473 . S | |
| C255 C256 1.430 . D | |
| C255 H257 0.930 . S | |
| C256 O630 1.406 . S | |
| C256 C431 1.456 . S | |
| N258 C259 1.346 . D | |
| N258 N583 1.340 . S | |
| C259 C260 1.393 . S | |
| C259 C414 1.473 . S | |
| C260 C261 1.430 . D | |
| C260 H262 0.930 . S | |
| C261 O631 1.406 . S | |
| C261 C416 1.456 . S | |
| N263 C264 1.346 . D | |
| N263 N584 1.340 . S | |
| C264 C265 1.393 . S | |
| C264 C419 1.473 . S | |
| C265 C266 1.430 . D | |
| C265 H267 0.930 . S | |
| C266 C421 1.456 . S | |
| C266 O632 1.406 1_565 S | |
| N268 C269 1.346 . D | |
| N268 N578 1.340 . S | |
| C269 C270 1.393 . S | |
| C270 C271 1.430 . D | |
| C270 H272 0.930 . S | |
| C271 O612 1.406 1_565 S | |
| N273 C274 1.346 . D | |
| N273 N585 1.340 . S | |
| C274 C275 1.393 . S | |
| C274 C384 1.473 . S | |
| C275 C276 1.430 . D | |
| C275 H277 0.930 . S | |
| C276 O633 1.406 . S | |
| C276 C386 1.456 . S | |
| N278 C279 1.346 . D | |
| N278 N586 1.340 . S | |
| C279 C280 1.393 . S | |
| C279 C319 1.473 . S | |
| C280 C281 1.430 . D | |
| C280 H282 0.930 . S | |
| C281 C321 1.456 . S | |
| C281 O634 1.406 1_655 S | |
| N283 C284 1.346 . D | |
| N283 N587 1.340 . S | |
| C284 C285 1.393 . S | |
| C284 C299 1.473 . S | |
| C285 C286 1.430 . D | |
| C285 H287 0.930 . S | |
| C286 O635 1.406 . S | |
| C286 C301 1.456 . S | |
| N288 C289 1.346 . D | |
| N288 N588 1.340 . S | |
| C289 C290 1.393 . S | |
| C289 C399 1.473 . S | |
| C290 C291 1.430 . D | |
| C290 H292 0.930 . S | |
| C291 O636 1.406 . S | |
| C291 C401 1.456 . S | |
| N293 C294 1.346 . D | |
| N293 N589 1.340 . S | |
| C294 C295 1.393 . S | |
| C294 C374 1.473 . S | |
| C295 C296 1.430 . D | |
| C295 H297 0.930 . S | |
| C296 O637 1.406 . S | |
| C296 C376 1.456 . S | |
| N298 C299 1.346 . D | |
| N298 N587 1.340 . S | |
| C299 C300 1.393 . S | |
| C300 C301 1.430 . D | |
| C300 H302 0.930 . S | |
| C301 O601 1.406 . S | |
| N303 C304 1.346 . D | |
| N303 N590 1.340 . S | |
| C304 C305 1.393 . S | |
| C304 C379 1.473 . S | |
| C305 C306 1.430 . D | |
| C305 H307 0.930 . S | |
| C306 O638 1.406 . S | |
| C306 C381 1.456 . S | |
| N308 C309 1.346 . D | |
| N308 N591 1.340 . S | |
| C309 C310 1.393 . S | |
| C309 C389 1.473 . S | |
| C310 C311 1.430 . D | |
| C310 H312 0.930 . S | |
| C311 O639 1.406 . S | |
| C311 C391 1.456 . S | |
| N313 C314 1.346 . D | |
| N313 N592 1.340 . S | |
| C314 C315 1.393 . S | |
| C314 C394 1.473 . S | |
| C315 C316 1.430 . D | |
| C315 H317 0.930 . S | |
| C316 C396 1.456 . S | |
| C316 O640 1.406 1_655 S | |
| N318 C319 1.346 . D | |
| N318 N586 1.340 . S | |
| C319 C320 1.393 . S | |
| C320 C321 1.430 . D | |
| C320 H322 0.930 . S | |
| C321 O606 1.406 1_655 S | |
| N323 C324 1.346 . D | |
| N323 N593 1.340 . S | |
| C324 C325 1.393 . S | |
| C324 C369 1.473 . S | |
| C325 C326 1.430 . D | |
| C325 H327 0.930 . S | |
| C326 O641 1.406 . S | |
| C326 C371 1.456 . S | |
| N328 C329 1.346 . D | |
| N328 N594 1.340 . S | |
| C329 C330 1.393 . S | |
| C329 C459 1.473 . S | |
| C330 C331 1.430 . D | |
| C330 H332 0.930 . S | |
| C331 O642 1.406 . S | |
| C331 C461 1.456 . S | |
| N333 C334 1.346 . D | |
| N333 N595 1.340 . S | |
| C334 C335 1.393 . S | |
| C334 C444 1.473 . S | |
| C335 C336 1.430 . D | |
| C335 H337 0.930 . S | |
| C336 O643 1.406 . S | |
| C336 C446 1.456 . S | |
| N338 C339 1.346 . D | |
| N338 N596 1.340 . S | |
| C339 C340 1.393 . S | |
| C339 C354 1.473 . S | |
| C340 C341 1.430 . D | |
| C340 H342 0.930 . S | |
| C341 C356 1.456 . S | |
| C341 O644 1.406 1_556 S | |
| N343 C344 1.346 . D | |
| N343 N597 1.340 . S | |
| C344 C345 1.393 . S | |
| C344 C449 1.473 . S | |
| C345 C346 1.430 . D | |
| C345 H347 0.930 . S | |
| C346 O645 1.406 . S | |
| C346 C451 1.456 . S | |
| N348 C349 1.346 . D | |
| N348 N598 1.340 . S | |
| C349 C350 1.393 . S | |
| C349 C454 1.473 . S | |
| C350 C351 1.430 . D | |
| C350 H352 0.930 . S | |
| C351 C456 1.456 . S | |
| C351 O646 1.406 1_556 S | |
| N353 C354 1.346 . D | |
| N353 N596 1.340 . S | |
| C354 C355 1.393 . S | |
| C355 C356 1.430 . D | |
| C355 H357 0.930 . S | |
| C356 O622 1.406 1_556 S | |
| N358 C359 1.346 . D | |
| N358 N599 1.340 . S | |
| C359 C360 1.393 . S | |
| C359 C434 1.473 . S | |
| C360 C361 1.430 . D | |
| C360 H362 0.930 . S | |
| C361 O647 1.406 . S | |
| C361 C436 1.456 . S | |
| N363 C364 1.346 . D | |
| N363 N600 1.340 . S | |
| C364 C365 1.393 . S | |
| C364 C439 1.473 . S | |
| C365 C366 1.430 . D | |
| C365 H367 0.930 . S | |
| C366 O648 1.406 . S | |
| C366 C441 1.456 . S | |
| N368 C369 1.346 . D | |
| N368 N593 1.340 . S | |
| C369 C370 1.393 . S | |
| C370 C371 1.430 . D | |
| C370 H372 0.930 . S | |
| C371 O617 1.406 . S | |
| N373 C374 1.346 . D | |
| N373 N589 1.340 . S | |
| C374 C375 1.393 . S | |
| C375 C376 1.430 . D | |
| C375 H377 0.930 . S | |
| C376 O607 1.406 . S | |
| N378 C379 1.346 . D | |
| N378 N590 1.340 . S | |
| C379 C380 1.393 . S | |
| C380 C381 1.430 . D | |
| C380 H382 0.930 . S | |
| C381 O608 1.406 . S | |
| N383 C384 1.346 . D | |
| N383 N585 1.340 . S | |
| C384 C385 1.393 . S | |
| C385 C386 1.430 . D | |
| C385 H387 0.930 . S | |
| C386 O605 1.406 . S | |
| N388 C389 1.346 . D | |
| N388 N591 1.340 . S | |
| C389 C390 1.393 . S | |
| C390 C391 1.430 . D | |
| C390 H392 0.930 . S | |
| C391 O603 1.406 . S | |
| N393 C394 1.346 . D | |
| N393 N592 1.340 . S | |
| C394 C395 1.393 . S | |
| C395 C396 1.430 . D | |
| C395 H397 0.930 . S | |
| C396 O604 1.406 1_655 S | |
| N398 C399 1.346 . D | |
| N398 N588 1.340 . S | |
| C399 C400 1.393 . S | |
| C400 C401 1.430 . D | |
| C400 H402 0.930 . S | |
| C401 O602 1.406 . S | |
| N403 C404 1.346 . D | |
| N403 N579 1.340 . S | |
| C404 C405 1.393 . S | |
| C405 C406 1.430 . D | |
| C405 H407 0.930 . S | |
| C406 O615 1.406 . S | |
| N408 C409 1.346 . D | |
| N408 N580 1.340 . S | |
| C409 C410 1.393 . S | |
| C410 C411 1.430 . D | |
| C410 H412 0.930 . S | |
| C411 O616 1.406 . S | |
| N413 C414 1.346 . D | |
| N413 N583 1.340 . S | |
| C414 C415 1.393 . S | |
| C415 C416 1.430 . D | |
| C415 H417 0.930 . S | |
| C416 O613 1.406 . S | |
| N418 C419 1.346 . D | |
| N418 N584 1.340 . S | |
| C419 C420 1.393 . S | |
| C420 C421 1.430 . D | |
| C420 H422 0.930 . S | |
| C421 O614 1.406 1_565 S | |
| N423 C424 1.346 . D | |
| N423 N577 1.340 . S | |
| C424 C425 1.393 . S | |
| C425 C426 1.430 . D | |
| C425 H427 0.930 . S | |
| C426 O611 1.406 . S | |
| N428 C429 1.346 . D | |
| N428 N582 1.340 . S | |
| C429 C430 1.393 . S | |
| C430 C431 1.430 . D | |
| C430 H432 0.930 . S | |
| C431 O610 1.406 . S | |
| N433 C434 1.346 . D | |
| N433 N599 1.340 . S | |
| C434 C435 1.393 . S | |
| C435 C436 1.430 . D | |
| C435 H437 0.930 . S | |
| C436 O623 1.406 . S | |
| N438 C439 1.346 . D | |
| N438 N600 1.340 . S | |
| C439 C440 1.393 . S | |
| C440 C441 1.430 . D | |
| C440 H442 0.930 . S | |
| C441 O624 1.406 . S | |
| N443 C444 1.346 . D | |
| N443 N595 1.340 . S | |
| C444 C445 1.393 . S | |
| C445 C446 1.430 . D | |
| C445 H447 0.930 . S | |
| C446 O621 1.406 . S | |
| N448 C449 1.346 . D | |
| N448 N597 1.340 . S | |
| C449 C450 1.393 . S | |
| C450 C451 1.430 . D | |
| C450 H452 0.930 . S | |
| C451 O619 1.406 . S | |
| N453 C454 1.346 . D | |
| N453 N598 1.340 . S | |
| C454 C455 1.393 . S | |
| C455 C456 1.430 . D | |
| C455 H457 0.930 . S | |
| C456 O620 1.406 1_556 S | |
| N458 C459 1.346 . D | |
| N458 N594 1.340 . S | |
| C459 C460 1.393 . S | |
| C460 C461 1.430 . D | |
| C460 H462 0.930 . S | |
| C461 O618 1.406 . S | |
| N463 C464 1.346 . D | |
| N463 N565 1.340 . S | |
| C464 C465 1.393 . S | |
| C465 C466 1.430 . D | |
| C465 H467 0.930 . S | |
| C466 O631 1.406 . S | |
| N468 C469 1.346 . D | |
| N468 N566 1.340 . S | |
| C469 C470 1.393 . S | |
| C470 C471 1.430 . D | |
| C470 H472 0.930 . S | |
| C471 O632 1.406 . S | |
| N473 C474 1.346 . D | |
| N473 N562 1.340 . S | |
| C474 C475 1.393 . S | |
| C475 C476 1.430 . D | |
| C475 H477 0.930 . S | |
| C476 O630 1.406 1_565 S | |
| N478 C479 1.346 . D | |
| N478 N567 1.340 . S | |
| C479 C480 1.393 . S | |
| C480 C481 1.430 . D | |
| C480 H482 0.930 . S | |
| C481 O627 1.406 . S | |
| N483 C484 1.346 . D | |
| N483 N568 1.340 . S | |
| C484 C485 1.393 . S | |
| C485 C486 1.430 . D | |
| C485 H487 0.930 . S | |
| C486 O628 1.406 1_565 S | |
| N488 C489 1.346 . D | |
| N488 N563 1.340 . S | |
| C489 C490 1.393 . S | |
| C490 C491 1.430 . D | |
| C490 H492 0.930 . S | |
| C491 O625 1.406 . S | |
| N493 C494 1.346 . D | |
| N493 N555 1.340 . S | |
| C494 C495 1.393 . S | |
| C495 C496 1.430 . D | |
| C495 H497 0.930 . S | |
| C496 O639 1.406 . S | |
| N498 C499 1.346 . D | |
| N498 N556 1.340 . S | |
| C499 C500 1.393 . S | |
| C500 C501 1.430 . D | |
| C500 H502 0.930 . S | |
| C501 O640 1.406 . S | |
| N503 C504 1.346 . D | |
| N503 N559 1.340 . S | |
| C504 C505 1.393 . S | |
| C505 C506 1.430 . D | |
| C505 H507 0.930 . S | |
| C506 O637 1.406 . S | |
| N508 C509 1.346 . D | |
| N508 N560 1.340 . S | |
| C509 C510 1.393 . S | |
| C510 C511 1.430 . D | |
| C510 H512 0.930 . S | |
| C511 O638 1.406 1_655 S | |
| N513 C514 1.346 . D | |
| N513 N554 1.340 . S | |
| C514 C515 1.393 . S | |
| C515 C516 1.430 . D | |
| C515 H517 0.930 . S | |
| C516 O636 1.406 1_655 S | |
| N518 C519 1.346 . D | |
| N518 N558 1.340 . S | |
| C519 C520 1.393 . S | |
| C520 C521 1.430 . D | |
| C520 H522 0.930 . S | |
| C521 O633 1.406 . S | |
| N523 C524 1.346 . D | |
| N523 N575 1.340 . S | |
| C524 C525 1.393 . S | |
| C525 C526 1.430 . D | |
| C525 H527 0.930 . S | |
| C526 O647 1.406 . S | |
| N528 C529 1.346 . D | |
| N528 N576 1.340 . S | |
| C529 C530 1.393 . S | |
| C530 C531 1.430 . D | |
| C530 H532 0.930 . S | |
| C531 O648 1.406 1_556 S | |
| N533 C534 1.346 . D | |
| N533 N571 1.340 . S | |
| C534 C535 1.393 . S | |
| C535 C536 1.430 . D | |
| C535 H537 0.930 . S | |
| C536 O645 1.406 . S | |
| N538 C539 1.346 . D | |
| N538 N572 1.340 . S | |
| C539 C540 1.393 . S | |
| C540 C541 1.430 . D | |
| C540 H542 0.930 . S | |
| C541 O646 1.406 . S | |
| N543 C544 1.346 . D | |
| N543 N574 1.340 . S | |
| C544 C545 1.393 . S | |
| C545 C546 1.430 . D | |
| C545 H547 0.930 . S | |
| C546 O643 1.406 . S | |
| N548 C549 1.346 . D | |
| N548 N570 1.340 . S | |
| C549 C550 1.393 . S | |
| C550 C551 1.430 . D | |
| C550 H552 0.930 . S | |
| C551 O642 1.406 1_556 S | |
| O602 C81 1.406 1_455 S | |
| O604 C396 1.406 1_455 S | |
| O606 C321 1.406 1_455 S | |
| O608 C121 1.406 1_455 S | |
| O610 C131 1.406 1_545 S | |
| O612 C271 1.406 1_545 S | |
| O614 C421 1.406 1_545 S | |
| O616 C166 1.406 1_545 S | |
| O618 C181 1.406 1_554 S | |
| O620 C456 1.406 1_554 S | |
| O622 C356 1.406 1_554 S | |
| O624 C216 1.406 1_554 S | |
| O626 C231 1.406 1_545 S | |
| O628 C486 1.406 1_545 S | |
| O630 C476 1.406 1_545 S | |
| O632 C266 1.406 1_545 S | |
| O634 C281 1.406 1_455 S | |
| O636 C516 1.406 1_455 S | |
| O638 C511 1.406 1_455 S | |
| O640 C316 1.406 1_455 S | |
| O642 C551 1.406 1_554 S | |
| O644 C341 1.406 1_554 S | |
| O646 C351 1.406 1_554 S | |
| O648 C531 1.406 1_554 S | |