data_AXUBOL_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 17.7299 _cell_length_b 17.7159 _cell_length_c 17.8833 _cell_angle_alpha 109.2243 _cell_angle_beta 110.6639 _cell_angle_gamma 109.2617 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 0.57586 0.67665 0.67732 0.00000 Uiso 1.00 Ni2 Ni 0.04012 0.92126 0.38036 0.00000 Uiso 1.00 Ni3 Ni 0.04088 0.38268 0.92007 0.00000 Uiso 1.00 Ni4 Ni 0.49818 0.13834 0.13996 0.00000 Uiso 1.00 Ni5 Ni 0.92913 0.02667 0.37642 0.00000 Uiso 1.00 Ni6 Ni 0.14073 0.48826 0.13512 0.00000 Uiso 1.00 Ni7 Ni 0.68599 0.57052 0.67081 0.00000 Uiso 1.00 Ni8 Ni 0.39341 0.03541 0.92637 0.00000 Uiso 1.00 Ni9 Ni 0.92735 0.37664 0.02167 0.00000 Uiso 1.00 Ni10 Ni 0.68136 0.67958 0.56823 0.00000 Uiso 1.00 Ni11 Ni 0.14905 0.14008 0.49139 0.00000 Uiso 1.00 Ni12 Ni 0.38563 0.92093 0.02568 0.00000 Uiso 1.00 H13 H 0.69414 0.94676 0.83334 0.00000 Uiso 1.00 H14 H 0.33988 0.48425 0.62783 0.00000 Uiso 1.00 H15 H 0.20332 0.33873 0.58380 0.00000 Uiso 1.00 H16 H 0.14081 0.88590 0.22171 0.00000 Uiso 1.00 H17 H 0.89606 0.74088 0.43913 0.00000 Uiso 1.00 H18 H 0.80483 0.65474 0.49285 0.00000 Uiso 1.00 H19 H 0.92855 0.11008 0.76834 0.00000 Uiso 1.00 H20 H 0.18917 0.57635 0.87861 0.00000 Uiso 1.00 H21 H 0.28674 0.72269 0.88837 0.00000 Uiso 1.00 H22 H 0.40223 0.17555 0.30132 0.00000 Uiso 1.00 H23 H 0.73891 0.32143 0.17596 0.00000 Uiso 1.00 H24 H 0.88048 0.40584 0.17084 0.00000 Uiso 1.00 H25 H 0.77052 0.91040 0.10549 0.00000 Uiso 1.00 H26 H 0.89400 0.15312 0.58166 0.00000 Uiso 1.00 H27 H 0.89322 0.24457 0.72217 0.00000 Uiso 1.00 H28 H 0.31558 0.39226 0.17935 0.00000 Uiso 1.00 H29 H 0.18912 0.72836 0.32160 0.00000 Uiso 1.00 H30 H 0.18469 0.86764 0.41165 0.00000 Uiso 1.00 H31 H 0.84121 0.68260 0.93925 0.00000 Uiso 1.00 H32 H 0.63682 0.33526 0.48053 0.00000 Uiso 1.00 H33 H 0.58968 0.19648 0.33779 0.00000 Uiso 1.00 H34 H 0.23126 0.14124 0.88242 0.00000 Uiso 1.00 H35 H 0.45780 0.90014 0.75699 0.00000 Uiso 1.00 H36 H 0.51064 0.81132 0.66714 0.00000 Uiso 1.00 H37 H 0.89161 0.21879 0.12923 0.00000 Uiso 1.00 H38 H 0.74418 0.43718 0.88186 0.00000 Uiso 1.00 H39 H 0.66264 0.49790 0.79368 0.00000 Uiso 1.00 H40 H 0.94981 0.83283 0.68168 0.00000 Uiso 1.00 H41 H 0.48274 0.60810 0.32596 0.00000 Uiso 1.00 H42 H 0.33511 0.55450 0.18378 0.00000 Uiso 1.00 H43 H 0.18973 0.31313 0.39677 0.00000 Uiso 1.00 H44 H 0.33856 0.17560 0.72390 0.00000 Uiso 1.00 H45 H 0.42965 0.17308 0.86601 0.00000 Uiso 1.00 H46 H 0.12623 0.76514 0.91135 0.00000 Uiso 1.00 H47 H 0.58317 0.88399 0.16724 0.00000 Uiso 1.00 H48 H 0.72823 0.88351 0.25750 0.00000 Uiso 1.00 H49 H 0.89226 0.13502 0.21735 0.00000 Uiso 1.00 H50 H 0.75253 0.89480 0.44225 0.00000 Uiso 1.00 H51 H 0.66392 0.80428 0.49437 0.00000 Uiso 1.00 H52 H 0.95125 0.67576 0.82088 0.00000 Uiso 1.00 H53 H 0.49142 0.33896 0.61481 0.00000 Uiso 1.00 H54 H 0.34976 0.19586 0.56754 0.00000 Uiso 1.00 H55 H 0.18846 0.39709 0.30831 0.00000 Uiso 1.00 H56 H 0.30057 0.72944 0.17084 0.00000 Uiso 1.00 H57 H 0.39098 0.87398 0.17263 0.00000 Uiso 1.00 H58 H 0.12434 0.92212 0.77257 0.00000 Uiso 1.00 H59 H 0.58583 0.16068 0.87923 0.00000 Uiso 1.00 H60 H 0.72872 0.25212 0.88069 0.00000 Uiso 1.00 H61 H 0.68725 0.82631 0.93267 0.00000 Uiso 1.00 H62 H 0.34701 0.64187 0.48191 0.00000 Uiso 1.00 H63 H 0.20274 0.58818 0.33565 0.00000 Uiso 1.00 H64 H 0.14379 0.22746 0.88359 0.00000 Uiso 1.00 H65 H 0.89137 0.42969 0.73616 0.00000 Uiso 1.00 H66 H 0.80258 0.48566 0.64721 0.00000 Uiso 1.00 H67 H 0.92389 0.76578 0.11158 0.00000 Uiso 1.00 H68 H 0.16637 0.87957 0.58477 0.00000 Uiso 1.00 H69 H 0.25973 0.88469 0.73124 0.00000 Uiso 1.00 H70 H 0.40251 0.30645 0.17852 0.00000 Uiso 1.00 H71 H 0.73854 0.18122 0.32582 0.00000 Uiso 1.00 H72 H 0.88080 0.17420 0.41034 0.00000 Uiso 1.00 H73 H 0.78367 0.12021 0.91634 0.00000 Uiso 1.00 H74 H 0.88955 0.57929 0.16038 0.00000 Uiso 1.00 H75 H 0.89203 0.72279 0.25265 0.00000 Uiso 1.00 H76 H 0.32225 0.18104 0.39179 0.00000 Uiso 1.00 H77 H 0.19195 0.33071 0.73138 0.00000 Uiso 1.00 H78 H 0.18323 0.42007 0.86657 0.00000 Uiso 1.00 H79 H 0.83793 0.93709 0.68389 0.00000 Uiso 1.00 H80 H 0.61320 0.47779 0.32734 0.00000 Uiso 1.00 H81 H 0.56465 0.33441 0.18759 0.00000 Uiso 1.00 H82 H 0.21838 0.88141 0.12910 0.00000 Uiso 1.00 H83 H 0.44380 0.73384 0.88546 0.00000 Uiso 1.00 H84 H 0.49287 0.64678 0.79035 0.00000 Uiso 1.00 H85 H 0.56598 0.56402 0.55819 0.00000 Uiso 1.00 H86 H 0.03942 0.02913 0.49181 0.00000 Uiso 1.00 H87 H 0.03400 0.48901 0.02360 0.00000 Uiso 1.00 H88 H 0.50103 0.03079 0.03316 0.00000 Uiso 1.00 C89 C 0.74420 0.98295 0.81797 0.00000 Uiso 1.00 C90 C 0.34400 0.42169 0.61571 0.00000 Uiso 1.00 C91 C 0.26768 0.33980 0.58948 0.00000 Uiso 1.00 C92 C 0.19829 0.94942 0.23929 0.00000 Uiso 1.00 C93 C 0.84551 0.75658 0.45118 0.00000 Uiso 1.00 C94 C 0.79464 0.70918 0.48177 0.00000 Uiso 1.00 C95 C 0.87535 0.07387 0.78059 0.00000 Uiso 1.00 C96 C 0.23447 0.64069 0.94472 0.00000 Uiso 1.00 C97 C 0.28792 0.72333 0.95053 0.00000 Uiso 1.00 C98 C 0.34491 0.11213 0.28443 0.00000 Uiso 1.00 C99 C 0.73516 0.30427 0.10999 0.00000 Uiso 1.00 C100 C 0.81377 0.35106 0.10639 0.00000 Uiso 1.00 C101 C 0.78546 0.85992 0.06887 0.00000 Uiso 1.00 C102 C 0.95905 0.21128 0.64368 0.00000 Uiso 1.00 C103 C 0.95921 0.26278 0.72259 0.00000 Uiso 1.00 C104 C 0.29819 0.33807 0.11428 0.00000 Uiso 1.00 C105 C 0.12242 0.72512 0.30547 0.00000 Uiso 1.00 C106 C 0.11951 0.80304 0.35475 0.00000 Uiso 1.00 C107 C 0.82516 0.73185 0.97593 0.00000 Uiso 1.00 C108 C 0.62193 0.33724 0.41705 0.00000 Uiso 1.00 C109 C 0.59452 0.25969 0.33676 0.00000 Uiso 1.00 C110 C 0.24977 0.19681 0.94714 0.00000 Uiso 1.00 C111 C 0.46610 0.84497 0.76627 0.00000 Uiso 1.00 C112 C 0.49570 0.79514 0.71636 0.00000 Uiso 1.00 C113 C 0.95678 0.24010 0.18897 0.00000 Uiso 1.00 C114 C 0.75898 0.44839 0.83099 0.00000 Uiso 1.00 C115 C 0.71383 0.48242 0.78149 0.00000 Uiso 1.00 C116 C 0.98868 0.81729 0.73110 0.00000 Uiso 1.00 C117 C 0.42208 0.60449 0.33018 0.00000 Uiso 1.00 C118 C 0.33905 0.57387 0.25092 0.00000 Uiso 1.00 C119 C 0.12427 0.29318 0.33876 0.00000 Uiso 1.00 C120 C 0.32006 0.11041 0.72328 0.00000 Uiso 1.00 C121 C 0.36981 0.10843 0.80275 0.00000 Uiso 1.00 C122 C 0.08695 0.77890 0.86020 0.00000 Uiso 1.00 C123 C 0.64814 0.94882 0.22081 0.00000 Uiso 1.00 C124 C 0.72967 0.94936 0.27079 0.00000 Uiso 1.00 C125 C 0.95710 0.19317 0.23791 0.00000 Uiso 1.00 C126 C 0.76542 0.84191 0.45249 0.00000 Uiso 1.00 C127 C 0.71672 0.79152 0.48260 0.00000 Uiso 1.00 C128 C 0.98949 0.72913 0.80981 0.00000 Uiso 1.00 C129 C 0.42827 0.34037 0.60754 0.00000 Uiso 1.00 C130 C 0.34889 0.26080 0.58069 0.00000 Uiso 1.00 C131 C 0.12362 0.34007 0.28941 0.00000 Uiso 1.00 C132 C 0.29573 0.72653 0.10750 0.00000 Uiso 1.00 C133 C 0.34594 0.80677 0.10784 0.00000 Uiso 1.00 C134 C 0.08577 0.86674 0.78143 0.00000 Uiso 1.00 C135 C 0.64963 0.21544 0.94472 0.00000 Uiso 1.00 C136 C 0.73047 0.26602 0.94624 0.00000 Uiso 1.00 C137 C 0.73905 0.81307 0.97240 0.00000 Uiso 1.00 C138 C 0.34631 0.62334 0.41726 0.00000 Uiso 1.00 C139 C 0.26592 0.59256 0.33509 0.00000 Uiso 1.00 C140 C 0.20122 0.24488 0.94783 0.00000 Uiso 1.00 C141 C 0.84057 0.44373 0.74952 0.00000 Uiso 1.00 C142 C 0.79150 0.47619 0.70106 0.00000 Uiso 1.00 C143 C 0.87132 0.77846 0.07227 0.00000 Uiso 1.00 C144 C 0.22377 0.94538 0.64596 0.00000 Uiso 1.00 C145 C 0.27589 0.94889 0.72813 0.00000 Uiso 1.00 C146 C 0.34663 0.29010 0.11366 0.00000 Uiso 1.00 C147 C 0.73478 0.11464 0.30941 0.00000 Uiso 1.00 C148 C 0.81401 0.11018 0.35565 0.00000 Uiso 1.00 C149 C 0.79419 0.07935 0.86428 0.00000 Uiso 1.00 C150 C 0.95565 0.64241 0.21507 0.00000 Uiso 1.00 C151 C 0.95767 0.72293 0.26677 0.00000 Uiso 1.00 C152 C 0.30066 0.11510 0.33530 0.00000 Uiso 1.00 C153 C 0.12476 0.31075 0.72653 0.00000 Uiso 1.00 C154 C 0.11937 0.35963 0.80240 0.00000 Uiso 1.00 C155 C 0.82531 0.97744 0.73387 0.00000 Uiso 1.00 C156 C 0.60836 0.41669 0.33149 0.00000 Uiso 1.00 C157 C 0.58069 0.33625 0.25376 0.00000 Uiso 1.00 C158 C 0.24221 0.94691 0.18800 0.00000 Uiso 1.00 C159 C 0.45745 0.75205 0.83722 0.00000 Uiso 1.00 C160 C 0.48619 0.70437 0.78433 0.00000 Uiso 1.00 C161 C 0.50517 0.50622 0.64257 0.00000 Uiso 1.00 C162 C 0.42443 0.42087 0.62298 0.00000 Uiso 1.00 C163 C 0.88892 0.88284 0.40978 0.00000 Uiso 1.00 C164 C 0.83152 0.82494 0.43747 0.00000 Uiso 1.00 C165 C 0.17605 0.55393 0.01966 0.00000 Uiso 1.00 C166 C 0.23821 0.64265 0.02437 0.00000 Uiso 1.00 C167 C 0.56567 0.17286 0.02617 0.00000 Uiso 1.00 C168 C 0.65238 0.23409 0.02783 0.00000 Uiso 1.00 C169 C 0.04628 0.17845 0.56373 0.00000 Uiso 1.00 C170 C 0.04331 0.23515 0.64596 0.00000 Uiso 1.00 C171 C 0.04153 0.55916 0.17263 0.00000 Uiso 1.00 C172 C 0.03939 0.64406 0.23362 0.00000 Uiso 1.00 C173 C 0.65103 0.49808 0.49818 0.00000 Uiso 1.00 C174 C 0.62813 0.41686 0.41428 0.00000 Uiso 1.00 C175 C 0.42184 0.88265 0.89100 0.00000 Uiso 1.00 C176 C 0.44824 0.82437 0.82898 0.00000 Uiso 1.00 C177 C 0.88433 0.40393 0.87937 0.00000 Uiso 1.00 C178 C 0.82523 0.43119 0.81659 0.00000 Uiso 1.00 C179 C 0.51104 0.65331 0.49783 0.00000 Uiso 1.00 C180 C 0.42475 0.62797 0.41387 0.00000 Uiso 1.00 C181 C 0.18545 0.02557 0.55819 0.00000 Uiso 1.00 C182 C 0.24538 0.02759 0.64402 0.00000 Uiso 1.00 C183 C 0.56539 0.03698 0.18163 0.00000 Uiso 1.00 C184 C 0.65145 0.03285 0.23978 0.00000 Uiso 1.00 C185 C 0.70238 0.82781 0.69947 0.00000 Uiso 1.00 C186 C 0.75883 0.93223 0.75173 0.00000 Uiso 1.00 C187 C 0.18014 0.03661 0.36887 0.00000 Uiso 1.00 C188 C 0.22759 0.03355 0.31329 0.00000 Uiso 1.00 C189 C 0.90999 0.23195 0.89155 0.00000 Uiso 1.00 C190 C 0.85858 0.12460 0.84448 0.00000 Uiso 1.00 C191 C 0.36787 0.02515 0.15630 0.00000 Uiso 1.00 C192 C 0.31621 0.02806 0.21098 0.00000 Uiso 1.00 C193 C 0.90091 0.89050 0.22372 0.00000 Uiso 1.00 C194 C 0.85092 0.84197 0.11871 0.00000 Uiso 1.00 C195 C 0.17527 0.37194 0.03357 0.00000 Uiso 1.00 C196 C 0.22572 0.31569 0.03122 0.00000 Uiso 1.00 C197 C 0.70287 0.69155 0.82088 0.00000 Uiso 1.00 C198 C 0.75819 0.74841 0.92616 0.00000 Uiso 1.00 C199 C 0.37789 0.16855 0.03184 0.00000 Uiso 1.00 C200 C 0.32270 0.21974 0.02997 0.00000 Uiso 1.00 C201 C 0.03608 0.36611 0.15941 0.00000 Uiso 1.00 C202 C 0.03995 0.31385 0.21472 0.00000 Uiso 1.00 C203 C 0.83593 0.69452 0.68867 0.00000 Uiso 1.00 C204 C 0.94081 0.74808 0.74502 0.00000 Uiso 1.00 C205 C 0.03864 0.16792 0.36521 0.00000 Uiso 1.00 C206 C 0.04093 0.21999 0.31343 0.00000 Uiso 1.00 C207 C 0.24314 0.89889 0.89522 0.00000 Uiso 1.00 C208 C 0.13473 0.84674 0.84511 0.00000 Uiso 1.00 N209 N 0.26847 0.25918 0.56954 0.00000 Uiso 1.00 N210 N 0.73154 0.72656 0.49901 0.00000 Uiso 1.00 N211 N 0.34225 0.80636 0.03053 0.00000 Uiso 1.00 N212 N 0.81292 0.33234 0.02596 0.00000 Uiso 1.00 N213 N 0.03806 0.33626 0.80205 0.00000 Uiso 1.00 N214 N 0.03833 0.80353 0.33523 0.00000 Uiso 1.00 N215 N 0.57241 0.25710 0.25438 0.00000 Uiso 1.00 N216 N 0.50735 0.72577 0.72522 0.00000 Uiso 1.00 N217 N 0.73016 0.49803 0.71767 0.00000 Uiso 1.00 N218 N 0.26088 0.56655 0.25217 0.00000 Uiso 1.00 N219 N 0.34786 0.02923 0.80683 0.00000 Uiso 1.00 N220 N 0.81275 0.02870 0.33613 0.00000 Uiso 1.00 O221 O 0.67117 0.79146 0.73927 0.00000 Uiso 1.00 O222 O 0.48147 0.55874 0.62070 0.00000 Uiso 1.00 O223 O 0.14129 0.96459 0.37109 0.00000 Uiso 1.00 O224 O 0.93627 0.85557 0.38313 0.00000 Uiso 1.00 O225 O 0.98287 0.26374 0.88879 0.00000 Uiso 1.00 O226 O 0.10237 0.49916 0.94139 0.00000 Uiso 1.00 O227 O 0.44812 0.09453 0.20039 0.00000 Uiso 1.00 O228 O 0.56494 0.20387 0.09933 0.00000 Uiso 1.00 O229 O 0.86513 0.92727 0.26186 0.00000 Uiso 1.00 O230 O 0.97157 0.12863 0.48682 0.00000 Uiso 1.00 O231 O 0.17654 0.40462 0.10812 0.00000 Uiso 1.00 O232 O 0.11878 0.58324 0.17769 0.00000 Uiso 1.00 O233 O 0.74484 0.66224 0.78544 0.00000 Uiso 1.00 O234 O 0.63448 0.47942 0.55501 0.00000 Uiso 1.00 O235 O 0.38764 0.14108 0.96347 0.00000 Uiso 1.00 O236 O 0.38923 0.92497 0.85923 0.00000 Uiso 1.00 O237 O 0.96128 0.32013 0.08313 0.00000 Uiso 1.00 O238 O 0.87730 0.42085 0.94949 0.00000 Uiso 1.00 O239 O 0.79861 0.73319 0.65309 0.00000 Uiso 1.00 O240 O 0.56811 0.63632 0.47803 0.00000 Uiso 1.00 O241 O 0.11051 0.20252 0.44239 0.00000 Uiso 1.00 O242 O 0.21293 0.09958 0.55591 0.00000 Uiso 1.00 O243 O 0.27750 0.85161 0.91433 0.00000 Uiso 1.00 O244 O 0.48931 0.96448 0.14038 0.00000 Uiso 1.00 O245 O 0.96199 0.09606 0.32921 0.00000 Uiso 1.00 O246 O 0.88275 0.95354 0.41871 0.00000 Uiso 1.00 O247 O 0.79433 0.61403 0.67455 0.00000 Uiso 1.00 O248 O 0.58216 0.50889 0.67261 0.00000 Uiso 1.00 O249 O 0.10359 0.44725 0.20406 0.00000 Uiso 1.00 O250 O 0.20773 0.55281 0.09324 0.00000 Uiso 1.00 O251 O 0.27497 0.97398 0.89626 0.00000 Uiso 1.00 O252 O 0.51038 0.09858 0.94977 0.00000 Uiso 1.00 O253 O 0.61925 0.67177 0.78253 0.00000 Uiso 1.00 O254 O 0.51741 0.68573 0.57460 0.00000 Uiso 1.00 O255 O 0.15051 0.38409 0.96562 0.00000 Uiso 1.00 O256 O 0.92677 0.37224 0.84857 0.00000 Uiso 1.00 O257 O 0.97037 0.88269 0.26144 0.00000 Uiso 1.00 O258 O 0.11145 0.94924 0.49748 0.00000 Uiso 1.00 O259 O 0.41182 0.16943 0.10701 0.00000 Uiso 1.00 O260 O 0.59075 0.11524 0.18849 0.00000 Uiso 1.00 O261 O 0.86478 0.26600 0.91447 0.00000 Uiso 1.00 O262 O 0.96690 0.48423 0.12868 0.00000 Uiso 1.00 O263 O 0.18839 0.11385 0.41338 0.00000 Uiso 1.00 O264 O 0.12436 0.18496 0.58076 0.00000 Uiso 1.00 O265 O 0.68910 0.78807 0.61897 0.00000 Uiso 1.00 O266 O 0.68192 0.57640 0.50420 0.00000 Uiso 1.00 O267 O 0.32317 0.95165 0.08036 0.00000 Uiso 1.00 O268 O 0.44007 0.87767 0.96299 0.00000 Uiso 1.00 O269 O 0.62713 0.62209 0.61696 0.00000 Uiso 1.00 O270 O 0.04013 0.03031 0.43408 0.00000 Uiso 1.00 O271 O 0.03525 0.43039 0.02450 0.00000 Uiso 1.00 O272 O 0.44153 0.03084 0.03219 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 O253 1.808 . S Ni1 N216 1.977 . S Ni1 O221 1.774 . S Ni1 O222 1.815 . S Ni1 O254 1.853 . S Ni1 O269 1.874 . S Ni2 N214 1.958 . S Ni2 O223 1.794 . S Ni2 O258 1.807 . S Ni2 O224 1.854 1_455 S Ni2 O257 1.774 1_455 S Ni2 O270 1.853 1_565 S Ni3 N213 1.972 . S Ni3 O226 1.816 . S Ni3 O255 1.811 . S Ni3 O225 1.788 1_455 S Ni3 O256 1.880 1_455 S Ni3 O271 1.833 1_556 S Ni4 O227 1.826 . S Ni4 N215 1.945 . S Ni4 O228 1.880 . S Ni4 O259 1.769 . S Ni4 O260 1.813 . S Ni4 O272 1.818 . S Ni5 O245 1.767 . S Ni5 N220 1.948 . S Ni5 O230 1.853 . S Ni5 O229 1.803 1_545 S Ni5 O246 1.819 1_545 S Ni5 O270 1.839 1_655 S Ni6 O249 1.825 . S Ni6 N218 1.958 . S Ni6 O231 1.788 . S Ni6 O232 1.833 . S Ni6 O250 1.891 . S Ni6 O271 1.803 . S Ni7 O233 1.763 . S Ni7 N217 1.968 . S Ni7 O234 1.794 . S Ni7 O247 1.785 . S Ni7 O248 1.822 . S Ni7 O269 1.830 . S Ni8 N219 1.950 . S Ni8 O252 1.810 . S Ni8 O235 1.820 . S Ni8 O236 1.889 1_545 S Ni8 O251 1.787 1_545 S Ni8 O272 1.823 1_556 S Ni9 N212 1.959 . S Ni9 O237 1.797 . S Ni9 O262 1.886 . S Ni9 O238 1.839 1_554 S Ni9 O261 1.827 1_554 S Ni9 O271 1.807 1_655 S Ni10 O265 1.768 . S Ni10 O239 1.746 . S Ni10 N210 1.996 . S Ni10 O240 1.762 . S Ni10 O266 1.815 . S Ni10 O269 1.803 . S Ni11 N209 1.977 . S Ni11 O264 1.807 . S Ni11 O241 1.781 . S Ni11 O242 1.813 . S Ni11 O263 1.767 . S Ni11 O270 1.837 . S Ni12 N211 1.963 . S Ni12 O267 1.814 . S Ni12 O244 1.882 . S Ni12 O243 1.814 1_554 S Ni12 O268 1.861 1_554 S Ni12 O272 1.812 1_565 S H13 C89 1.090 . S H14 C90 1.089 . S H15 C91 1.102 . S H16 C92 1.090 . S H17 C93 1.090 . S H18 C94 1.103 . S H19 C95 1.090 . S H20 C96 1.086 . S H21 C97 1.101 . S H22 C98 1.092 . S H23 C99 1.088 . S H24 C100 1.101 . S H25 C101 1.092 . S H26 C102 1.087 . S H27 C103 1.103 . S H28 C104 1.089 . S H29 C105 1.090 . S H30 C106 1.101 . S H31 C107 1.092 . S H32 C108 1.086 . S H33 C109 1.102 . S H34 C110 1.089 . S H35 C111 1.090 . S H36 C112 1.099 . S H37 C113 1.093 . S H38 C114 1.091 . S H39 C115 1.100 . S H40 C116 1.090 . S H41 C117 1.087 . S H42 C118 1.104 . S H43 C119 1.089 . S H44 C120 1.087 . S H45 C121 1.102 . S H46 C122 1.091 . S H47 C123 1.090 . S H48 C124 1.101 . S H49 C125 1.090 . S H50 C126 1.090 . S H51 C127 1.104 . S H52 C128 1.090 . S H53 C129 1.090 . S H54 C130 1.102 . S H55 C131 1.091 . S H56 C132 1.088 . S H57 C133 1.100 . S H58 C134 1.092 . S H59 C135 1.089 . S H60 C136 1.102 . S H61 C137 1.093 . S H62 C138 1.087 . S H63 C139 1.101 . S H64 C140 1.089 . S H65 C141 1.091 . S H66 C142 1.101 . S H67 C143 1.092 . S H68 C144 1.088 . S H69 C145 1.103 . S H70 C146 1.091 . S H71 C147 1.090 . S H72 C148 1.101 . S H73 C149 1.092 . S H74 C150 1.089 . S H75 C151 1.099 . S H76 C152 1.089 . S H77 C153 1.087 . S H78 C154 1.104 . S H79 C155 1.089 . S H80 C156 1.087 . S H81 C157 1.102 . S H82 C158 1.092 . S H83 C159 1.089 . S H84 C160 1.100 . S H85 O269 1.042 . S H86 O270 1.044 . S H87 O271 1.051 . S H88 O272 1.049 . S C89 C186 1.396 . S C89 C149 1.393 1_565 D C90 C91 1.402 . S C90 C162 1.391 . D C91 N209 1.360 . D C92 C158 1.396 . D C92 C188 1.395 1_565 S C93 C164 1.392 . D C93 C94 1.403 . S C94 N210 1.360 . D C95 C190 1.393 . D C95 C155 1.393 1_545 S C96 C97 1.403 . D C96 C166 1.391 1_556 S C97 N211 1.358 1_556 S C98 C192 1.394 . D C98 C152 1.395 . S C99 C168 1.389 . D C99 C100 1.404 . S C100 N212 1.359 . D C101 C194 1.394 . D C101 C137 1.395 1_554 S C102 C103 1.404 . D C102 C170 1.393 1_655 S C103 N213 1.359 1_655 S C104 C196 1.394 . D C104 C146 1.393 . S C105 C172 1.391 . D C105 C106 1.401 . S C106 N214 1.360 . D C107 C198 1.394 . S C107 C143 1.393 1_556 D C108 C109 1.398 . S C108 C174 1.397 . D C109 N215 1.364 . D C110 C140 1.397 . D C110 C200 1.392 1_556 S C111 C112 1.403 . S C111 C176 1.391 . D C112 N216 1.360 . D C113 C125 1.391 . D C113 C202 1.395 1_655 S C114 C115 1.399 . S C114 C178 1.392 . D C115 N217 1.361 . D C116 C204 1.396 . S C116 C134 1.390 1_655 D C117 C118 1.402 . S C117 C180 1.394 . D C118 N218 1.358 . D C119 C131 1.397 . S C119 C206 1.395 . D C120 C182 1.393 . D C120 C121 1.403 . S C121 N219 1.361 . D C122 C208 1.392 . D C122 C128 1.396 1_455 S C123 C124 1.401 . D C123 C184 1.389 1_565 S C124 N220 1.359 1_565 S C125 C206 1.398 1_655 S C126 C164 1.392 . S C126 C127 1.403 . D C127 N210 1.359 . S C128 C204 1.393 . D C128 C122 1.396 1_655 S C129 C130 1.402 . D C129 C162 1.390 . S C130 N209 1.357 . S C131 C202 1.392 . D C132 C166 1.391 . D C132 C133 1.403 . S C133 N211 1.359 . D C134 C208 1.395 . S C134 C116 1.390 1_455 D C135 C136 1.402 . D C135 C168 1.391 1_556 S C136 N212 1.358 1_556 S C137 C198 1.393 . D C137 C101 1.395 1_556 S C138 C139 1.403 . D C138 C180 1.390 . S C139 N218 1.360 . S C140 C196 1.392 1_556 S C141 C142 1.402 . D C141 C178 1.389 . S C142 N217 1.360 . S C143 C194 1.397 . S C143 C107 1.393 1_554 D C144 C145 1.400 . D C144 C182 1.394 1_565 S C145 N219 1.360 1_565 S C146 C200 1.396 . D C147 C184 1.391 . D C147 C148 1.400 . S C148 N220 1.359 . D C149 C190 1.393 . S C149 C89 1.393 1_545 D C150 C151 1.402 . D C150 C172 1.390 1_655 S C151 N214 1.360 1_655 S C152 C188 1.397 . D C153 C170 1.393 . D C153 C154 1.404 . S C154 N213 1.360 . D C155 C186 1.394 . D C155 C95 1.393 1_565 S C156 C157 1.399 . D C156 C174 1.395 . S C157 N215 1.365 . S C158 C192 1.394 1_565 S C159 C160 1.402 . D C159 C176 1.391 . S C160 N216 1.361 . S C161 O222 1.256 . S C161 C162 1.526 . S C161 O248 1.256 . D C163 O224 1.250 . S C163 O246 1.256 . D C163 C164 1.528 . S C165 C166 1.548 . S C165 O250 1.245 . D C165 O226 1.259 1_554 S C166 C96 1.391 1_554 S C167 C168 1.545 . S C167 O228 1.248 . D C167 O252 1.257 1_554 S C168 C135 1.391 1_554 S C169 O264 1.264 . D C169 C170 1.514 . S C169 O230 1.252 1_455 S C170 C102 1.393 1_455 S C171 O232 1.252 . D C171 C172 1.562 . S C171 O262 1.245 1_455 S C172 C150 1.390 1_455 S C173 C174 1.500 . S C173 O266 1.263 . S C173 O234 1.263 . D C175 C176 1.564 . S C175 O236 1.247 . S C175 O268 1.253 . D C177 C178 1.566 . S C177 O256 1.246 . S C177 O238 1.251 . D C179 C180 1.509 . S C179 O240 1.274 . S C179 O254 1.247 . D C181 O242 1.259 . D C181 C182 1.508 . S C181 O258 1.259 1_545 S C182 C144 1.394 1_545 S C183 O260 1.256 . D C183 C184 1.555 . S C183 O244 1.243 1_545 S C184 C123 1.389 1_545 S C185 O265 1.268 . D C185 O221 1.254 . S C185 C186 1.509 . S C187 C188 1.511 . S C187 O263 1.263 . D C187 O223 1.256 1_545 S C188 C92 1.395 1_545 S C189 C190 1.555 . S C189 O225 1.254 . S C189 O261 1.250 . D C191 O227 1.254 . D C191 C192 1.558 . S C191 O267 1.250 1_545 S C192 C158 1.394 1_545 S C193 C194 1.520 . S C193 O257 1.256 . S C193 O229 1.256 . D C195 C196 1.543 . S C195 O231 1.255 . D C195 O255 1.254 1_554 S C196 C140 1.392 1_554 S C197 O253 1.254 . D C197 O233 1.263 . S C197 C198 1.522 . S C199 C200 1.537 . S C199 O259 1.256 . D C199 O235 1.255 1_554 S C200 C110 1.392 1_554 S C201 O249 1.253 . D C201 C202 1.561 . S C201 O237 1.250 1_455 S C202 C113 1.395 1_455 S C203 O239 1.265 . D C203 O247 1.257 . S C203 C204 1.502 . S C205 C206 1.508 . S C205 O241 1.261 . D C205 O245 1.258 1_455 S C206 C125 1.398 1_455 S C207 C208 1.555 . S C207 O251 1.253 . S C207 O243 1.252 . D N211 C97 1.358 1_554 S N212 C136 1.358 1_554 S N213 C103 1.359 1_455 S N214 C151 1.360 1_455 S N219 C145 1.360 1_545 S N220 C124 1.359 1_545 S O223 C187 1.256 1_565 S O224 Ni2 1.854 1_655 S O225 Ni3 1.788 1_655 S O226 C165 1.259 1_556 S O229 Ni5 1.803 1_565 S O230 C169 1.252 1_655 S O235 C199 1.255 1_556 S O236 Ni8 1.889 1_565 S O237 C201 1.250 1_655 S O238 Ni9 1.839 1_556 S O243 Ni12 1.814 1_556 S O244 C183 1.243 1_565 S O245 C205 1.258 1_655 S O246 Ni5 1.819 1_565 S O251 Ni8 1.787 1_565 S O252 C167 1.257 1_556 S O255 C195 1.254 1_556 S O256 Ni3 1.880 1_655 S O257 Ni2 1.774 1_655 S O258 C181 1.259 1_565 S O261 Ni9 1.827 1_556 S O262 C171 1.245 1_655 S O267 C191 1.250 1_565 S O268 Ni12 1.861 1_556 S O270 Ni5 1.839 1_455 S O270 Ni2 1.853 1_545 S O271 Ni9 1.807 1_455 S O271 Ni3 1.833 1_554 S O272 Ni12 1.812 1_545 S O272 Ni8 1.823 1_554 S