data_UTEWOG_clean_relaxed _audit_creation_date 2017-08-02 _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 18.6937 _cell_length_b 18.6996 _cell_length_c 18.6765 _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 Ni1 Ni -0.00406 0.62052 0.49656 0.00000 Uiso 1.00 Ni2 Ni -0.00387 0.37122 0.49670 0.00000 Uiso 1.00 Ni3 Ni 0.49605 -0.00393 0.62161 0.00000 Uiso 1.00 Ni4 Ni 0.49617 -0.00397 0.37167 0.00000 Uiso 1.00 Ni5 Ni 0.62078 0.49587 -0.00338 0.00000 Uiso 1.00 Ni6 Ni 0.37132 0.49625 -0.00337 0.00000 Uiso 1.00 Ni7 Ni 0.62080 -0.00394 0.49667 0.00000 Uiso 1.00 Ni8 Ni 0.37117 -0.00388 0.49664 0.00000 Uiso 1.00 Ni9 Ni -0.00398 0.49576 0.37134 0.00000 Uiso 1.00 Ni10 Ni -0.00404 0.49604 0.62186 0.00000 Uiso 1.00 Ni11 Ni 0.49626 0.62072 -0.00337 0.00000 Uiso 1.00 Ni12 Ni 0.49588 0.37131 -0.00341 0.00000 Uiso 1.00 H13 H 0.85999 0.71466 0.55260 0.00000 Uiso 1.00 H14 H 0.13238 0.27758 0.55245 0.00000 Uiso 1.00 H15 H 0.13168 0.71484 0.44032 0.00000 Uiso 1.00 H16 H 0.85977 0.27681 0.44044 0.00000 Uiso 1.00 H17 H 0.55206 0.86018 0.71611 0.00000 Uiso 1.00 H18 H 0.55203 0.13183 0.27728 0.00000 Uiso 1.00 H19 H 0.43997 0.13182 0.71595 0.00000 Uiso 1.00 H20 H 0.43997 0.86023 0.27731 0.00000 Uiso 1.00 H21 H 0.71567 0.55233 0.86078 0.00000 Uiso 1.00 H22 H 0.27728 0.55221 0.13249 0.00000 Uiso 1.00 H23 H 0.71467 0.44010 0.13238 0.00000 Uiso 1.00 H24 H 0.27675 0.43997 0.86070 0.00000 Uiso 1.00 H25 H 0.71507 0.85975 0.44049 0.00000 Uiso 1.00 H26 H 0.27721 0.13206 0.44063 0.00000 Uiso 1.00 H27 H 0.71482 0.13229 0.55269 0.00000 Uiso 1.00 H28 H 0.27695 0.86011 0.55269 0.00000 Uiso 1.00 H29 H 0.85968 0.55193 0.27682 0.00000 Uiso 1.00 H30 H 0.13212 0.55212 0.71618 0.00000 Uiso 1.00 H31 H 0.13192 0.43989 0.27738 0.00000 Uiso 1.00 H32 H 0.86023 0.43986 0.71613 0.00000 Uiso 1.00 H33 H 0.55200 0.71476 0.13235 0.00000 Uiso 1.00 H34 H 0.55227 0.27645 0.86088 0.00000 Uiso 1.00 H35 H 0.44001 0.71549 0.86089 0.00000 Uiso 1.00 H36 H 0.44022 0.27734 0.13229 0.00000 Uiso 1.00 H37 H 0.13251 0.27695 0.44057 0.00000 Uiso 1.00 H38 H 0.86035 0.71456 0.44039 0.00000 Uiso 1.00 H39 H 0.85970 0.27732 0.55249 0.00000 Uiso 1.00 H40 H 0.13180 0.71493 0.55285 0.00000 Uiso 1.00 H41 H 0.44002 0.13175 0.27725 0.00000 Uiso 1.00 H42 H 0.43993 0.86025 0.71597 0.00000 Uiso 1.00 H43 H 0.55213 0.86027 0.27721 0.00000 Uiso 1.00 H44 H 0.55204 0.13191 0.71606 0.00000 Uiso 1.00 H45 H 0.27677 0.43991 0.13253 0.00000 Uiso 1.00 H46 H 0.71479 0.44003 0.86087 0.00000 Uiso 1.00 H47 H 0.27721 0.55220 0.86083 0.00000 Uiso 1.00 H48 H 0.71554 0.55227 0.13245 0.00000 Uiso 1.00 H49 H 0.27701 0.13210 0.55272 0.00000 Uiso 1.00 H50 H 0.71481 0.85975 0.55265 0.00000 Uiso 1.00 H51 H 0.27708 0.86012 0.44066 0.00000 Uiso 1.00 H52 H 0.71499 0.13230 0.44048 0.00000 Uiso 1.00 H53 H 0.13178 0.43985 0.71633 0.00000 Uiso 1.00 H54 H 0.86046 0.43977 0.27722 0.00000 Uiso 1.00 H55 H 0.85962 0.55196 0.71607 0.00000 Uiso 1.00 H56 H 0.13234 0.55197 0.27705 0.00000 Uiso 1.00 H57 H 0.44011 0.27724 0.86094 0.00000 Uiso 1.00 H58 H 0.44010 0.71542 0.13237 0.00000 Uiso 1.00 H59 H 0.55220 0.27653 0.13233 0.00000 Uiso 1.00 H60 H 0.55204 0.71478 0.86088 0.00000 Uiso 1.00 H61 H 0.76730 0.76739 0.60568 0.00000 Uiso 1.00 H62 H 0.22487 0.22484 0.60566 0.00000 Uiso 1.00 H63 H 0.22485 0.76722 0.38777 0.00000 Uiso 1.00 H64 H 0.76736 0.22466 0.38746 0.00000 Uiso 1.00 H65 H 0.60491 0.76739 0.76826 0.00000 Uiso 1.00 H66 H 0.60502 0.22455 0.22487 0.00000 Uiso 1.00 H67 H 0.38729 0.22475 0.76821 0.00000 Uiso 1.00 H68 H 0.38732 0.76753 0.22523 0.00000 Uiso 1.00 H69 H 0.76733 0.60506 0.76818 0.00000 Uiso 1.00 H70 H 0.22503 0.60507 0.22508 0.00000 Uiso 1.00 H71 H 0.76737 0.38699 0.22491 0.00000 Uiso 1.00 H72 H 0.22484 0.38711 0.76820 0.00000 Uiso 1.00 H73 H 0.76736 0.76731 0.38761 0.00000 Uiso 1.00 H74 H 0.22488 0.22466 0.38756 0.00000 Uiso 1.00 H75 H 0.76739 0.22467 0.60579 0.00000 Uiso 1.00 H76 H 0.22494 0.76714 0.60548 0.00000 Uiso 1.00 H77 H 0.76734 0.60508 0.22499 0.00000 Uiso 1.00 H78 H 0.22505 0.60495 0.76809 0.00000 Uiso 1.00 H79 H 0.22482 0.38696 0.22501 0.00000 Uiso 1.00 H80 H 0.76738 0.38704 0.76831 0.00000 Uiso 1.00 H81 H 0.60495 0.76742 0.22501 0.00000 Uiso 1.00 H82 H 0.60500 0.22463 0.76831 0.00000 Uiso 1.00 H83 H 0.38735 0.76743 0.76805 0.00000 Uiso 1.00 H84 H 0.38726 0.22462 0.22497 0.00000 Uiso 1.00 C85 C 0.87095 0.66931 0.58582 0.00000 Uiso 1.00 C86 C 0.12130 0.32291 0.58570 0.00000 Uiso 1.00 C87 C 0.12084 0.66946 0.40715 0.00000 Uiso 1.00 C88 C 0.87091 0.32215 0.40729 0.00000 Uiso 1.00 C89 C 0.58506 0.87104 0.67052 0.00000 Uiso 1.00 C90 C 0.58509 0.12098 0.32281 0.00000 Uiso 1.00 C91 C 0.40691 0.12096 0.67042 0.00000 Uiso 1.00 C92 C 0.40693 0.87114 0.32286 0.00000 Uiso 1.00 C93 C 0.67003 0.58519 0.87174 0.00000 Uiso 1.00 C94 C 0.32271 0.58531 0.12154 0.00000 Uiso 1.00 C95 C 0.66929 0.40690 0.12143 0.00000 Uiso 1.00 C96 C 0.32230 0.40700 0.87171 0.00000 Uiso 1.00 C97 C 0.66965 0.87086 0.40738 0.00000 Uiso 1.00 C98 C 0.32261 0.12103 0.40747 0.00000 Uiso 1.00 C99 C 0.66941 0.12122 0.58580 0.00000 Uiso 1.00 C100 C 0.32242 0.87107 0.58580 0.00000 Uiso 1.00 C101 C 0.87083 0.58491 0.32235 0.00000 Uiso 1.00 C102 C 0.12108 0.58516 0.67072 0.00000 Uiso 1.00 C103 C 0.12111 0.40680 0.32289 0.00000 Uiso 1.00 C104 C 0.87106 0.40687 0.67051 0.00000 Uiso 1.00 C105 C 0.58517 0.66937 0.12143 0.00000 Uiso 1.00 C106 C 0.58516 0.32205 0.87180 0.00000 Uiso 1.00 C107 C 0.40705 0.66992 0.87180 0.00000 Uiso 1.00 C108 C 0.40703 0.32269 0.12139 0.00000 Uiso 1.00 C109 C 0.12138 0.32235 0.40745 0.00000 Uiso 1.00 C110 C 0.87121 0.66918 0.40711 0.00000 Uiso 1.00 C111 C 0.87081 0.32266 0.58569 0.00000 Uiso 1.00 C112 C 0.12087 0.66957 0.58604 0.00000 Uiso 1.00 C113 C 0.40698 0.12088 0.32279 0.00000 Uiso 1.00 C114 C 0.40687 0.87115 0.67039 0.00000 Uiso 1.00 C115 C 0.58520 0.87110 0.32277 0.00000 Uiso 1.00 C116 C 0.58505 0.12105 0.67051 0.00000 Uiso 1.00 C117 C 0.32229 0.40697 0.12152 0.00000 Uiso 1.00 C118 C 0.66940 0.40684 0.87181 0.00000 Uiso 1.00 C119 C 0.32267 0.58530 0.87177 0.00000 Uiso 1.00 C120 C 0.66995 0.58515 0.12150 0.00000 Uiso 1.00 C121 C 0.32246 0.12111 0.58582 0.00000 Uiso 1.00 C122 C 0.66939 0.87083 0.58579 0.00000 Uiso 1.00 C123 C 0.32252 0.87109 0.40752 0.00000 Uiso 1.00 C124 C 0.66957 0.12121 0.40739 0.00000 Uiso 1.00 C125 C 0.12101 0.40696 0.67070 0.00000 Uiso 1.00 C126 C 0.87125 0.40664 0.32272 0.00000 Uiso 1.00 C127 C 0.87071 0.58497 0.67057 0.00000 Uiso 1.00 C128 C 0.12124 0.58502 0.32254 0.00000 Uiso 1.00 C129 C 0.40695 0.32268 0.87183 0.00000 Uiso 1.00 C130 C 0.40712 0.66990 0.12147 0.00000 Uiso 1.00 C131 C 0.58509 0.32212 0.12142 0.00000 Uiso 1.00 C132 C 0.58522 0.66938 0.87181 0.00000 Uiso 1.00 C133 C 0.77424 0.68229 0.68298 0.00000 Uiso 1.00 C134 C 0.83500 0.64842 0.64933 0.00000 Uiso 1.00 C135 C 0.21785 0.30988 0.68301 0.00000 Uiso 1.00 C136 C 0.15696 0.34365 0.64941 0.00000 Uiso 1.00 C137 C 0.21796 0.68221 0.31035 0.00000 Uiso 1.00 C138 C 0.15701 0.64842 0.34381 0.00000 Uiso 1.00 C139 C 0.77429 0.30973 0.31010 0.00000 Uiso 1.00 C140 C 0.83517 0.34337 0.34380 0.00000 Uiso 1.00 C141 C 0.68219 0.77432 0.68304 0.00000 Uiso 1.00 C142 C 0.64842 0.83512 0.64937 0.00000 Uiso 1.00 C143 C 0.68227 0.21766 0.31009 0.00000 Uiso 1.00 C144 C 0.64854 0.15686 0.34380 0.00000 Uiso 1.00 C145 C 0.30997 0.21783 0.68300 0.00000 Uiso 1.00 C146 C 0.34356 0.15693 0.64931 0.00000 Uiso 1.00 C147 C 0.31001 0.77425 0.31047 0.00000 Uiso 1.00 C148 C 0.34364 0.83516 0.34411 0.00000 Uiso 1.00 C149 C 0.68225 0.68233 0.77507 0.00000 Uiso 1.00 C150 C 0.64868 0.64852 0.83591 0.00000 Uiso 1.00 C151 C 0.31006 0.68241 0.21825 0.00000 Uiso 1.00 C152 C 0.34370 0.64879 0.15733 0.00000 Uiso 1.00 C153 C 0.68230 0.30967 0.21800 0.00000 Uiso 1.00 C154 C 0.64852 0.34333 0.15718 0.00000 Uiso 1.00 C155 C 0.30996 0.30984 0.77504 0.00000 Uiso 1.00 C156 C 0.34353 0.34361 0.83592 0.00000 Uiso 1.00 C157 C 0.68224 0.77427 0.31023 0.00000 Uiso 1.00 C158 C 0.64853 0.83512 0.34388 0.00000 Uiso 1.00 C159 C 0.31001 0.21770 0.31022 0.00000 Uiso 1.00 C160 C 0.34365 0.15684 0.34394 0.00000 Uiso 1.00 C161 C 0.68230 0.21766 0.68314 0.00000 Uiso 1.00 C162 C 0.64851 0.15686 0.64946 0.00000 Uiso 1.00 C163 C 0.31006 0.77417 0.68281 0.00000 Uiso 1.00 C164 C 0.34361 0.83512 0.64917 0.00000 Uiso 1.00 C165 C 0.77427 0.68224 0.31024 0.00000 Uiso 1.00 C166 C 0.83511 0.64832 0.34372 0.00000 Uiso 1.00 C167 C 0.21799 0.68213 0.68287 0.00000 Uiso 1.00 C168 C 0.15700 0.64847 0.64938 0.00000 Uiso 1.00 C169 C 0.21791 0.30972 0.31019 0.00000 Uiso 1.00 C170 C 0.15706 0.34341 0.34388 0.00000 Uiso 1.00 C171 C 0.77435 0.30976 0.68311 0.00000 Uiso 1.00 C172 C 0.83516 0.34352 0.64937 0.00000 Uiso 1.00 C173 C 0.68228 0.68237 0.21809 0.00000 Uiso 1.00 C174 C 0.64870 0.64857 0.15725 0.00000 Uiso 1.00 C175 C 0.68230 0.30973 0.77515 0.00000 Uiso 1.00 C176 C 0.64852 0.34336 0.83597 0.00000 Uiso 1.00 C177 C 0.31009 0.68229 0.77493 0.00000 Uiso 1.00 C178 C 0.34371 0.64871 0.83588 0.00000 Uiso 1.00 C179 C 0.30994 0.30969 0.21809 0.00000 Uiso 1.00 C180 C 0.34351 0.34351 0.15723 0.00000 Uiso 1.00 C181 C 0.74368 0.74379 0.65314 0.00000 Uiso 1.00 C182 C 0.24847 0.24843 0.65314 0.00000 Uiso 1.00 C183 C 0.24851 0.74366 0.34030 0.00000 Uiso 1.00 C184 C 0.74375 0.24824 0.33998 0.00000 Uiso 1.00 C185 C 0.65233 0.74380 0.74459 0.00000 Uiso 1.00 C186 C 0.65244 0.24817 0.24852 0.00000 Uiso 1.00 C187 C 0.33986 0.24836 0.74455 0.00000 Uiso 1.00 C188 C 0.33991 0.74386 0.24887 0.00000 Uiso 1.00 C189 C 0.74373 0.65247 0.74454 0.00000 Uiso 1.00 C190 C 0.24859 0.65248 0.24878 0.00000 Uiso 1.00 C191 C 0.74378 0.33957 0.24854 0.00000 Uiso 1.00 C192 C 0.24844 0.33970 0.74454 0.00000 Uiso 1.00 C193 C 0.74374 0.74372 0.34014 0.00000 Uiso 1.00 C194 C 0.24850 0.24825 0.34008 0.00000 Uiso 1.00 C195 C 0.74378 0.24826 0.65327 0.00000 Uiso 1.00 C196 C 0.24858 0.74357 0.65295 0.00000 Uiso 1.00 C197 C 0.74374 0.65249 0.24866 0.00000 Uiso 1.00 C198 C 0.24862 0.65236 0.74441 0.00000 Uiso 1.00 C199 C 0.24843 0.33954 0.24864 0.00000 Uiso 1.00 C200 C 0.74380 0.33962 0.74465 0.00000 Uiso 1.00 C201 C 0.65238 0.74382 0.24866 0.00000 Uiso 1.00 C202 C 0.65243 0.24822 0.74466 0.00000 Uiso 1.00 C203 C 0.33997 0.74375 0.74438 0.00000 Uiso 1.00 C204 C 0.33984 0.24822 0.24863 0.00000 Uiso 1.00 N205 N 0.92432 0.62082 0.57065 0.00000 Uiso 1.00 N206 N 0.06803 0.37143 0.57032 0.00000 Uiso 1.00 N207 N 0.06741 0.62104 0.42225 0.00000 Uiso 1.00 N208 N 0.92450 0.37038 0.42264 0.00000 Uiso 1.00 N209 N 0.56966 0.92436 0.62197 0.00000 Uiso 1.00 N210 N 0.56971 0.06780 0.37146 0.00000 Uiso 1.00 N211 N 0.42222 0.06758 0.62194 0.00000 Uiso 1.00 N212 N 0.42223 0.92464 0.37123 0.00000 Uiso 1.00 N213 N 0.62172 0.56969 0.92520 0.00000 Uiso 1.00 N214 N 0.37124 0.56992 0.06822 0.00000 Uiso 1.00 N215 N 0.62065 0.42221 0.06823 0.00000 Uiso 1.00 N216 N 0.37064 0.42246 0.92517 0.00000 Uiso 1.00 N217 N 0.62132 0.92431 0.42278 0.00000 Uiso 1.00 N218 N 0.37096 0.06758 0.42278 0.00000 Uiso 1.00 N219 N 0.62081 0.06807 0.57026 0.00000 Uiso 1.00 N220 N 0.37064 0.92467 0.57063 0.00000 Uiso 1.00 N221 N 0.92441 0.56947 0.37056 0.00000 Uiso 1.00 N222 N 0.06738 0.56993 0.62249 0.00000 Uiso 1.00 N223 N 0.06785 0.42211 0.37152 0.00000 Uiso 1.00 N224 N 0.92433 0.42237 0.62192 0.00000 Uiso 1.00 N225 N 0.56990 0.62078 0.06819 0.00000 Uiso 1.00 N226 N 0.56968 0.37042 0.92522 0.00000 Uiso 1.00 N227 N 0.42242 0.62156 0.92522 0.00000 Uiso 1.00 N228 N 0.42230 0.37134 0.06817 0.00000 Uiso 1.00 N229 N 0.06802 0.37069 0.42297 0.00000 Uiso 1.00 N230 N 0.92468 0.62074 0.42212 0.00000 Uiso 1.00 N231 N 0.92407 0.37120 0.57025 0.00000 Uiso 1.00 N232 N 0.06724 0.62134 0.57102 0.00000 Uiso 1.00 N233 N 0.42231 0.06749 0.37124 0.00000 Uiso 1.00 N234 N 0.42207 0.92472 0.62212 0.00000 Uiso 1.00 N235 N 0.56994 0.92448 0.37130 0.00000 Uiso 1.00 N236 N 0.56954 0.06787 0.62182 0.00000 Uiso 1.00 N237 N 0.37074 0.42257 0.06820 0.00000 Uiso 1.00 N238 N 0.62087 0.42205 0.92517 0.00000 Uiso 1.00 N239 N 0.37113 0.57004 0.92518 0.00000 Uiso 1.00 N240 N 0.62148 0.56954 0.06819 0.00000 Uiso 1.00 N241 N 0.37081 0.06768 0.57044 0.00000 Uiso 1.00 N242 N 0.62092 0.92416 0.57037 0.00000 Uiso 1.00 N243 N 0.37082 0.92463 0.42272 0.00000 Uiso 1.00 N244 N 0.62108 0.06797 0.42296 0.00000 Uiso 1.00 N245 N 0.06780 0.42253 0.62206 0.00000 Uiso 1.00 N246 N 0.92473 0.42179 0.37123 0.00000 Uiso 1.00 N247 N 0.92417 0.56952 0.62218 0.00000 Uiso 1.00 N248 N 0.06759 0.56970 0.37072 0.00000 Uiso 1.00 N249 N 0.42216 0.37116 0.92519 0.00000 Uiso 1.00 N250 N 0.42257 0.62141 0.06817 0.00000 Uiso 1.00 N251 N 0.56949 0.37063 0.06818 0.00000 Uiso 1.00 N252 N 0.57008 0.62089 0.92519 0.00000 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 Ni1 N205 1.925 1_455 S Ni1 N207 1.926 . S Ni1 N230 1.926 1_455 S Ni1 N232 1.926 . S Ni2 N206 1.923 . S Ni2 N208 1.925 1_455 S Ni2 N229 1.924 . S Ni2 N231 1.924 1_455 S Ni3 N209 1.921 1_545 S Ni3 N211 1.922 . S Ni3 N234 1.922 1_545 S Ni3 N236 1.921 . S Ni4 N210 1.921 . S Ni4 N212 1.922 1_545 S Ni4 N233 1.921 . S Ni4 N235 1.922 1_545 S Ni5 N213 1.920 1_554 S Ni5 N215 1.920 . S Ni5 N238 1.920 1_554 S Ni5 N240 1.920 . S Ni6 N214 1.920 . S Ni6 N216 1.920 1_554 S Ni6 N237 1.920 . S Ni6 N239 1.919 1_554 S Ni7 N217 1.925 1_545 S Ni7 N219 1.924 . S Ni7 N242 1.924 1_545 S Ni7 N244 1.924 . S Ni8 N218 1.921 . S Ni8 N220 1.922 1_545 S Ni8 N241 1.921 . S Ni8 N243 1.922 1_545 S Ni9 N221 1.921 1_455 S Ni9 N223 1.923 . S Ni9 N246 1.921 1_455 S Ni9 N248 1.924 . S Ni10 N222 1.921 . S Ni10 N224 1.921 1_455 S Ni10 N245 1.922 . S Ni10 N247 1.921 1_455 S Ni11 N225 1.919 . S Ni11 N227 1.919 1_554 S Ni11 N250 1.919 . S Ni11 N252 1.920 1_554 S Ni12 N226 1.918 1_554 S Ni12 N228 1.918 . S Ni12 N249 1.918 1_554 S Ni12 N251 1.919 . S H13 C85 1.071 . S H14 C86 1.071 . S H15 C87 1.070 . S H16 C88 1.070 . S H17 C89 1.071 . S H18 C90 1.071 . S H19 C91 1.071 . S H20 C92 1.071 . S H21 C93 1.071 . S H22 C94 1.071 . S H23 C95 1.071 . S H24 C96 1.071 . S H25 C97 1.071 . S H26 C98 1.071 . S H27 C99 1.070 . S H28 C100 1.071 . S H29 C101 1.071 . S H30 C102 1.070 . S H31 C103 1.071 . S H32 C104 1.071 . S H33 C105 1.071 . S H34 C106 1.071 . S H35 C107 1.071 . S H36 C108 1.070 . S H37 C109 1.071 . S H38 C110 1.071 . S H39 C111 1.071 . S H40 C112 1.070 . S H41 C113 1.071 . S H42 C114 1.071 . S H43 C115 1.071 . S H44 C116 1.070 . S H45 C117 1.071 . S H46 C118 1.071 . S H47 C119 1.071 . S H48 C120 1.070 . S H49 C121 1.071 . S H50 C122 1.071 . S H51 C123 1.071 . S H52 C124 1.070 . S H53 C125 1.070 . S H54 C126 1.071 . S H55 C127 1.071 . S H56 C128 1.071 . S H57 C129 1.071 . S H58 C130 1.071 . S H59 C131 1.071 . S H60 C132 1.071 . S H61 C181 1.084 . S H62 C182 1.084 . S H63 C183 1.084 . S H64 C184 1.084 . S H65 C185 1.084 . S H66 C186 1.084 . S H67 C187 1.085 . S H68 C188 1.084 . S H69 C189 1.084 . S H70 C190 1.084 . S H71 C191 1.084 . S H72 C192 1.084 . S H73 C193 1.084 . S H74 C194 1.084 . S H75 C195 1.084 . S H76 C196 1.084 . S H77 C197 1.084 . S H78 C198 1.084 . S H79 C199 1.084 . S H80 C200 1.084 . S H81 C201 1.084 . S H82 C202 1.084 . S H83 C203 1.084 . S H84 C204 1.084 . S C85 C134 1.418 . S C85 N205 1.378 . D C86 C136 1.418 . S C86 N206 1.377 . D C87 C138 1.418 . D C87 N207 1.377 . S C88 C140 1.418 . D C88 N208 1.378 . S C89 C142 1.418 . S C89 N209 1.378 . D C90 C144 1.418 . S C90 N210 1.377 . D C91 C146 1.418 . S C91 N211 1.378 . D C92 C148 1.418 . D C92 N212 1.378 . S C93 C150 1.417 . S C93 N213 1.377 . D C94 C152 1.418 . D C94 N214 1.378 . S C95 C154 1.418 . S C95 N215 1.377 . D C96 C156 1.418 . S C96 N216 1.377 . D C97 C158 1.417 . D C97 N217 1.378 . S C98 C160 1.418 . D C98 N218 1.378 . S C99 C162 1.418 . S C99 N219 1.377 . D C100 C164 1.418 . S C100 N220 1.378 . D C101 C166 1.418 . S C101 N221 1.377 . D C102 C168 1.418 . S C102 N222 1.378 . D C103 C170 1.418 . D C103 N223 1.378 . S C104 C172 1.418 . S C104 N224 1.378 . D C105 C174 1.417 . S C105 N225 1.377 . D C106 C176 1.417 . S C106 N226 1.378 . D C107 C178 1.418 . S C107 N227 1.377 . D C108 C180 1.418 . S C108 N228 1.377 . D C109 C170 1.418 . S C109 N229 1.377 . D C110 C166 1.417 . D C110 N230 1.378 . S C111 C172 1.418 . D C111 N231 1.378 . S C112 C168 1.418 . D C112 N232 1.377 . S C113 C160 1.418 . S C113 N233 1.378 . D C114 C164 1.418 . D C114 N234 1.377 . S C115 C158 1.418 . S C115 N235 1.378 . D C116 C162 1.418 . D C116 N236 1.378 . S C117 C180 1.418 . D C117 N237 1.377 . S C118 C176 1.418 . D C118 N238 1.377 . S C119 C178 1.418 . D C119 N239 1.377 . S C120 C174 1.418 . D C120 N240 1.377 . S C121 C146 1.418 . D C121 N241 1.378 . S C122 C142 1.418 . D C122 N242 1.378 . S C123 C148 1.418 . S C123 N243 1.378 . D C124 C144 1.418 . D C124 N244 1.377 . S C125 C136 1.418 . D C125 N245 1.378 . S C126 C140 1.418 . S C126 N246 1.379 . D C127 C134 1.418 . D C127 N247 1.378 . S C128 C138 1.418 . S C128 N248 1.378 . D C129 C156 1.417 . D C129 N249 1.377 . S C130 C152 1.418 . S C130 N250 1.377 . D C131 C154 1.418 . D C131 N251 1.377 . S C132 C150 1.417 . D C132 N252 1.377 . S C133 C134 1.444 . S C133 C181 1.400 . S C133 C189 1.399 . D C135 C136 1.445 . S C135 C182 1.400 . D C135 C192 1.399 . S C137 C138 1.445 . S C137 C183 1.400 . S C137 C190 1.400 . D C139 C140 1.445 . S C139 C184 1.400 . D C139 C191 1.399 . S C141 C142 1.445 . S C141 C181 1.400 . D C141 C185 1.400 . S C143 C144 1.445 . S C143 C184 1.400 . S C143 C186 1.399 . D C145 C146 1.445 . S C145 C182 1.400 . S C145 C187 1.400 . D C147 C148 1.445 . S C147 C183 1.400 . D C147 C188 1.400 . S C149 C150 1.444 . S C149 C185 1.399 . D C149 C189 1.399 . S C151 C152 1.444 . S C151 C188 1.400 . D C151 C190 1.400 . S C153 C154 1.444 . S C153 C186 1.400 . S C153 C191 1.400 . D C155 C156 1.444 . S C155 C187 1.400 . S C155 C192 1.400 . D C157 C158 1.445 . S C157 C193 1.400 . D C157 C201 1.399 . S C159 C160 1.445 . S C159 C194 1.400 . S C159 C204 1.400 . D C161 C162 1.445 . S C161 C195 1.400 . S C161 C202 1.400 . D C163 C164 1.445 . S C163 C196 1.400 . D C163 C203 1.399 . S C165 C166 1.445 . S C165 C193 1.400 . S C165 C197 1.399 . D C167 C168 1.445 . S C167 C196 1.400 . S C167 C198 1.400 . D C169 C170 1.445 . S C169 C194 1.400 . D C169 C199 1.399 . S C171 C172 1.445 . S C171 C195 1.400 . D C171 C200 1.400 . S C173 C174 1.444 . S C173 C197 1.399 . S C173 C201 1.400 . D C175 C176 1.444 . S C175 C200 1.399 . D C175 C202 1.399 . S C177 C178 1.444 . S C177 C198 1.400 . S C177 C203 1.400 . D C179 C180 1.444 . S C179 C199 1.400 . D C179 C204 1.400 . S N205 Ni1 1.925 1_655 S N205 N247 1.359 . S N206 N245 1.359 . S N207 N248 1.359 . S N208 Ni2 1.925 1_655 S N208 N246 1.359 . S N209 Ni3 1.921 1_565 S N209 N242 1.359 . S N210 N244 1.359 . S N211 N241 1.360 . S N212 Ni4 1.922 1_565 S N212 N243 1.360 . S N213 Ni5 1.920 1_556 S N213 N252 1.360 . S N214 N250 1.359 . S N215 N251 1.358 . S N216 Ni6 1.920 1_556 S N216 N249 1.359 . S N217 Ni7 1.925 1_565 S N217 N235 1.359 . S N218 N233 1.359 . S N219 N236 1.359 . S N220 Ni8 1.922 1_565 S N220 N234 1.360 . S N221 Ni9 1.921 1_655 S N221 N230 1.359 . S N222 N232 1.359 . S N223 N229 1.360 . S N224 Ni10 1.921 1_655 S N224 N231 1.359 . S N225 N240 1.359 . S N226 Ni12 1.918 1_556 S N226 N238 1.359 . S N227 Ni11 1.919 1_556 S N227 N239 1.359 . S N228 N237 1.359 . S N230 Ni1 1.926 1_655 S N231 Ni2 1.924 1_655 S N234 Ni3 1.922 1_565 S N235 Ni4 1.922 1_565 S N238 Ni5 1.920 1_556 S N239 Ni6 1.919 1_556 S N242 Ni7 1.924 1_565 S N243 Ni8 1.922 1_565 S N246 Ni9 1.921 1_655 S N247 Ni10 1.921 1_655 S N249 Ni12 1.918 1_556 S N252 Ni11 1.920 1_556 S