ciftbx warning: cif_mm.dic data_ line: 610 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 724 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 746 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 43100 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 43876 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 47907 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 48159 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 48173 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 48189 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 48203 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 48974 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 48994 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 50714 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52018 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52093 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52122 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52150 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52179 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52208 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52237 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52266 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52296 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52410 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52411 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52584 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52599 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52613 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52627 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53497 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53526 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53535 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53561 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53570 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53615 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53623 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53953 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54168 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54175 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54184 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54187 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54194 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54204 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54211 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54221 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54228 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54238 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54245 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54255 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54262 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54272 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54279 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54290 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54297 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54307 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54314 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54324 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54339 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54348 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54361 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54370 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54377 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54389 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54396 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54407 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54414 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54425 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54432 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54444 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54451 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54464 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54471 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54482 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54489 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54500 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54507 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54518 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54525 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54536 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54543 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54554 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54561 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54621 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54623 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54630 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54639 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54646 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54657 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54676 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54704 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54711 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54721 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54728 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54738 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54746 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54755 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54763 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54772 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54780 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54789 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54797 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54804 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54808 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54814 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54816 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54825 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54833 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54842 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54850 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54858 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54859 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54861 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54867 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54868 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54869 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54881 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55075 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55083 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55109 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55117 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55126 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55134 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55143 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55151 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55161 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55169 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55178 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55186 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55196 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55204 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55213 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55221 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55230 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55237 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55462 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55464 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55466 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55468 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55470 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55472 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55474 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55528 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55544 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55566 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55584 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55605 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55622 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55644 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55682 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55699 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55721 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55738 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55764 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55783 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55807 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55824 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55848 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55867 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55891 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55903 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55912 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55930 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55942 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55955 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55967 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55974 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55986 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55993 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56003 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56016 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56023 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56505 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56507 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56554 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56556 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56665 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56672 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56673 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56676 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56677 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56680 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56681 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56684 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56685 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56723 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56724 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56777 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56788 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56794 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56805 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56846 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56857 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56863 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56874 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56917 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56928 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56934 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56945 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56986 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56997 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57003 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57014 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57459 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57564 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57578 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57662 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57676 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57692 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57730 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57758 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57772 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57800 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57842 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57856 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 58192 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 58976 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 59035 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 59049 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 59309 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 60794 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61034 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61339 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61343 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61352 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61356 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61363 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61367 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61374 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61396 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61607 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61745 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61749 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61781 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61793 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61804 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61961 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61962 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62086 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62146 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62156 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62215 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62238 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62242 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62250 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62254 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62289 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62534 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62547 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62593 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62702 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62726 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62751 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62842 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62846 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63387 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63391 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63444 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63455 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63459 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63466 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63657 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63661 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63745 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63756 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 64030 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 64186 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 64652 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 64666 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 65683 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 65864 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 68376 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 68522 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 68542 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 68613 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 68624 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 68863 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 70783 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 70843 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 70849 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71173 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71219 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71224 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71272 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71317 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71322 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71349 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71392 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71504 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71514 Input line length exceeds line_ ciftbx warning: cif_mm.dic save__audit_link.block_code line: 38972 Conflicting definition of alias ciftbx warning: cif_mm.dic save__audit_link.block_description line: 38988 Conflicting definition of alias ciftbx warning: cif_mm.dic save__chem_comp_atom.pdbx_align line: 46555 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_refine_tls_group.beg_auth_seq_id line: 52173 Conflicting definition of alias ciftbx warning: cif_mm.dic save__refine.overall_SU_B line: 56040 No name defined in block ciftbx warning: cif_mm.dic save__refine.overall_SU_ML line: 56050 No name defined in block ciftbx warning: cif_mm.dic save__refine_hist.number_atoms_solvent line: 56060 No name defined in block ciftbx warning: cif_mm.dic save__refine_hist.number_atoms_total line: 56070 No name defined in block ciftbx warning: cif_mm.dic save__pdbx_construct_feature.entry_id line: 64707 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_alt_id line: 70380 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_alt_id line: 70379 Item name _pdbx_feature_monomer.label_alt_id does not match category name pdbx_sequence_range ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_asym_id line: 70395 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_asym_id line: 70394 Item name _pdbx_feature_monomer.label_asym_id does not match category name pdbx_sequence_range ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_comp_id line: 70411 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_comp_id line: 70410 Item name _pdbx_feature_monomer.label_comp_id does not match category name pdbx_sequence_range ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_seq_id line: 70427 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_seq_id line: 70426 Item name _pdbx_feature_monomer.label_seq_id does not match category name pdbx_sequence_range ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.auth_asym_id line: 70443 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.auth_asym_id line: 70442 Item name _pdbx_feature_monomer.auth_asym_id does not match category name pdbx_sequence_range ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.auth_comp_id line: 70459 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.auth_comp_id line: 70458 Item name _pdbx_feature_monomer.auth_comp_id does not match category name pdbx_sequence_range ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.auth_seq_id line: 70474 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.auth_seq_id line: 70473 Item name _pdbx_feature_monomer.auth_seq_id does not match category name pdbx_sequence_range Read data from CIF test.cif ciftbx warning: test.cif data_mumbo_jumbo line: 12 Data name _dummy_test not in dictionary! ciftbx warning: test.cif data_mumbo_jumbo line: 12 No category defined for _dummy_test ciftbx warning: test.cif data_mumbo_jumbo line: 77 Data name _blat1 not in dictionary! ciftbx warning: test.cif data_mumbo_jumbo line: 77 No category defined for _blat1 ciftbx warning: test.cif data_mumbo_jumbo line: 77 Data name _blat2 not in dictionary! ciftbx warning: test.cif data_mumbo_jumbo line: 77 No category defined for _blat2 ciftbx warning: test.cif data_mumbo_jumbo line: 5 Category key _audit.revision_id not given for audit ciftbx warning: test.cif data_mumbo_jumbo line: 15 Category key _chemical.entry_id not given for chemical ciftbx warning: test.cif data_mumbo_jumbo line: 16 Category key _chemical_formula.entry_id not given for chemical_formula ciftbx warning: test.cif data_mumbo_jumbo line: 22 Category key _cell.entry_id not given for cell ciftbx warning: test.cif data_mumbo_jumbo line: 29 Category key _cell_measurement.entry_id not given for cell_measurement ciftbx warning: test.cif data_mumbo_jumbo line: 34 Category key _symmetry.entry_id not given for symmetry ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_alt_id not given for atom_site ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_asym_id not given for atom_site ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_atom_id not given for atom_site ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_comp_id not given for atom_site ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_entity_id not given for atom_site ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_seq_id not given for atom_site Access items in data block mumbo_jumbo Cell dimension(s) missing! Cell 0.0000 14.9560 19.7370 0.0000 0.0010 0.0030 Space group P_2ac_2ab Next data name in CIF is _atom_type_symbol Audit record 91-04-09 text and data added by Tony Willis. 91-04-15 rec'd by co-editor with diagram as manuscript HL7. 91-04-17 adjustments based on first referees report. 91-04-18 adjustments based on second referee's report. Atom sites _atom_site.id _atom_site.fract_x _atom_site.fract_y _atom_site.fract_z _atom_site.U_iso_or_equiv s 0.2020 0.7980 0.9167 0.0300 0.0000 0.0000 0.0000 0.0030 _atom_site.id _atom_site.fract_x _atom_site.fract_y _atom_site.fract_z _atom_site.U_iso_or_equiv o 0.4980 0.4980 0.6667 0.0252 0.0000 0.0000 0.0000 0.0000 _atom_site.id _atom_site.fract_x _atom_site.fract_y _atom_site.fract_z _atom_site.U_iso_or_equiv c1 0.4880 0.0960 0.0380 0.0317 0.0000 0.0000 0.0000 0.0000 Access items in data block publication Author list Furber, Mark Research School of Chemistry Australian National University GPO Box 4 Canberra, A.C.T. Australia 2601 Mander, Lewis N. Research School of Chemistry Australian National University GPO Box 4 Canberra, A.C.T. Australia 2601 Patrick, Graham L. Research School of Chemistry Australian National University GPO Box 4 Canberra, A.C.T. Australia 2601 Willis, Anthony C. Research School of Chemistry Australian National University GPO Box 4 Canberra, A.C.T. Australia 2601 ciftbx warning: test.cif data_mumbo_jumbo line: 12 Data name _dummy_test not in dictionary! ciftbx warning: test.cif data_mumbo_jumbo line: 12 No category defined for _dummy_test ciftbx warning: test.cif data_mumbo_jumbo line: 77 Data name _blat1 not in dictionary! ciftbx warning: test.cif data_mumbo_jumbo line: 77 No category defined for _blat1 ciftbx warning: test.cif data_mumbo_jumbo line: 77 Data name _blat2 not in dictionary! ciftbx warning: test.cif data_mumbo_jumbo line: 77 No category defined for _blat2 ciftbx warning: test.cif data_mumbo_jumbo line: 5 Category key _audit.revision_id not given for audit ciftbx warning: test.cif data_mumbo_jumbo line: 15 Category key _chemical.entry_id not given for chemical ciftbx warning: test.cif data_mumbo_jumbo line: 16 Category key _chemical_formula.entry_id not given for chemical_formula ciftbx warning: test.cif data_mumbo_jumbo line: 22 Category key _cell.entry_id not given for cell ciftbx warning: test.cif data_mumbo_jumbo line: 29 Category key _cell_measurement.entry_id not given for cell_measurement ciftbx warning: test.cif data_mumbo_jumbo line: 34 Category key _symmetry.entry_id not given for symmetry ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_alt_id not given for atom_site ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_asym_id not given for atom_site ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_atom_id not given for atom_site ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_comp_id not given for atom_site ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_entity_id not given for atom_site ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_seq_id not given for atom_site Access items in data block mumbo_jumbo _atom_site_aniso_U_11 _atom_site_anisotrop.U[1][1] _atom_site_aniso_U_11 _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[1][1] _atom_site_aniso_U_11 Atom coordinates and Uij s 0.2020 0.7980 0.9167 0.0350 0.0250 0.0250 0.0130 0.0000 0.0000 o 0.4980 0.4980 0.6667 c1 0.4880 0.0960 0.0380 Read data from CIF test.cif ciftbx warning: test.cif data_publication line: 87 Mandatory item _publ_author_footnote not given for publ_author Access items in data block publication Author list Furber, Mark Research School of Chemistry Australian National University GPO Box 4 Canberra, A.C.T. Australia 2601 Mander, Lewis N. Research School of Chemistry Australian National University GPO Box 4 Canberra, A.C.T. Australia 2601 Patrick, Graham L. Research School of Chemistry Australian National University GPO Box 4 Canberra, A.C.T. Australia 2601 Willis, Anthony C. Research School of Chemistry Australian National University GPO Box 4 Canberra, A.C.T. Australia 2601 _atom_site_aniso_U_11 _atom_site_aniso_U_11 _atom_site_aniso_U_11 _atom_site_aniso_U_11 ciftbx warning: cif_mm.dic data_ line: 610 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 724 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 746 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 43100 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 43876 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 47907 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 48159 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 48173 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 48189 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 48203 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 48974 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 48994 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 50714 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52018 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52093 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52122 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52150 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52179 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52208 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52237 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52266 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52296 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52410 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52411 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52584 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52599 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52613 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 52627 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53497 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53526 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53535 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53561 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53570 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53615 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53623 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 53953 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54168 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54175 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54184 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54187 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54194 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54204 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54211 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54221 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54228 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54238 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54245 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54255 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54262 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54272 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54279 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54290 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54297 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54307 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54314 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54324 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54339 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54348 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54361 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54370 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54377 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54389 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54396 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54407 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54414 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54425 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54432 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54444 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54451 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54464 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54471 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54482 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54489 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54500 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54507 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54518 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54525 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54536 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54543 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54554 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54561 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54621 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54623 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54630 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54639 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54646 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54657 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54676 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54704 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54711 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54721 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54728 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54738 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54746 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54755 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54763 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54772 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54780 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54789 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54797 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54804 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54808 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54814 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54816 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54825 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54833 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54842 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54850 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54858 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54859 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54861 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54867 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54868 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54869 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 54881 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55075 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55083 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55109 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55117 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55126 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55134 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55143 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55151 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55161 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55169 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55178 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55186 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55196 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55204 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55213 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55221 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55230 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55237 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55462 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55464 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55466 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55468 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55470 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55472 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55474 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55528 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55544 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55566 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55584 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55605 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55622 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55644 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55682 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55699 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55721 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55738 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55764 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55783 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55807 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55824 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55848 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55867 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55891 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55903 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55912 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55930 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55942 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55955 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55967 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55974 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55986 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 55993 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56003 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56016 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56023 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56505 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56507 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56554 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56556 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56665 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56672 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56673 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56676 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56677 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56680 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56681 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56684 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56685 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56723 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56724 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56777 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56788 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56794 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56805 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56846 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56857 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56863 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56874 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56917 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56928 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56934 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56945 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56986 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 56997 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57003 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57014 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57459 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57564 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57578 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57662 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57676 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57692 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57730 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57758 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57772 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57800 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57842 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 57856 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 58192 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 58976 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 59035 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 59049 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 59309 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 60794 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61034 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61339 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61343 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61352 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61356 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61363 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61367 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61374 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61396 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61607 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61745 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61749 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61781 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61793 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61804 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61961 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 61962 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62086 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62146 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62156 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62215 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62238 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62242 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62250 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62254 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62289 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62534 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62547 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62593 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62702 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62726 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62751 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62842 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 62846 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63387 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63391 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63444 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63455 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63459 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63466 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63657 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63661 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63745 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 63756 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 64030 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 64186 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 64652 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 64666 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 65683 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 65864 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 68376 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 68522 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 68542 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 68613 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 68624 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 68863 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 70783 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 70843 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 70849 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71173 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71219 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71224 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71272 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71317 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71322 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71349 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71392 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71504 Input line length exceeds line_ ciftbx warning: cif_mm.dic data_ line: 71514 Input line length exceeds line_ ciftbx warning: cif_mm.dic save__audit_link.block_code line: 38972 Conflicting definition of alias ciftbx warning: cif_mm.dic save__audit_link.block_description line: 38988 Conflicting definition of alias ciftbx warning: cif_mm.dic save__chem_comp_atom.pdbx_align line: 46555 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_refine_tls_group.beg_auth_seq_id line: 52173 Conflicting definition of alias ciftbx warning: cif_mm.dic save__refine.overall_SU_B line: 56040 No name defined in block ciftbx warning: cif_mm.dic save__refine.overall_SU_ML line: 56050 No name defined in block ciftbx warning: cif_mm.dic save__refine_hist.number_atoms_solvent line: 56060 No name defined in block ciftbx warning: cif_mm.dic save__refine_hist.number_atoms_total line: 56070 No name defined in block ciftbx warning: cif_mm.dic save__pdbx_construct_feature.entry_id line: 64707 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_alt_id line: 70380 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_alt_id line: 70379 Item name _pdbx_feature_monomer.label_alt_id does not match category name pdbx_sequence_range ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_asym_id line: 70395 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_asym_id line: 70394 Item name _pdbx_feature_monomer.label_asym_id does not match category name pdbx_sequence_range ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_comp_id line: 70411 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_comp_id line: 70410 Item name _pdbx_feature_monomer.label_comp_id does not match category name pdbx_sequence_range ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_seq_id line: 70427 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.label_seq_id line: 70426 Item name _pdbx_feature_monomer.label_seq_id does not match category name pdbx_sequence_range ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.auth_asym_id line: 70443 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.auth_asym_id line: 70442 Item name _pdbx_feature_monomer.auth_asym_id does not match category name pdbx_sequence_range ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.auth_comp_id line: 70459 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.auth_comp_id line: 70458 Item name _pdbx_feature_monomer.auth_comp_id does not match category name pdbx_sequence_range ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.auth_seq_id line: 70474 Category id does not match block name ciftbx warning: cif_mm.dic save__pdbx_feature_monomer.auth_seq_id line: 70473 Item name _pdbx_feature_monomer.auth_seq_id does not match category name pdbx_sequence_range Read data from CIF test.cif ciftbx warning: test.cif data_mumbo_jumbo line: 12 Data name _dummy_test not in dictionary! ciftbx warning: test.cif data_mumbo_jumbo line: 12 No category defined for _dummy_test ciftbx warning: test.cif data_mumbo_jumbo line: 77 Data name _blat1 not in dictionary! ciftbx warning: test.cif data_mumbo_jumbo line: 77 No category defined for _blat1 ciftbx warning: test.cif data_mumbo_jumbo line: 77 Data name _blat2 not in dictionary! ciftbx warning: test.cif data_mumbo_jumbo line: 77 No category defined for _blat2 ciftbx warning: test.cif data_mumbo_jumbo line: 5 Category key _audit.revision_id not given for audit ciftbx warning: test.cif data_mumbo_jumbo line: 15 Category key _chemical.entry_id not given for chemical ciftbx warning: test.cif data_mumbo_jumbo line: 16 Category key _chemical_formula.entry_id not given for chemical_formula ciftbx warning: test.cif data_mumbo_jumbo line: 22 Category key _cell.entry_id not given for cell ciftbx warning: test.cif data_mumbo_jumbo line: 29 Category key _cell_measurement.entry_id not given for cell_measurement ciftbx warning: test.cif data_mumbo_jumbo line: 34 Category key _symmetry.entry_id not given for symmetry ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_alt_id not given for atom_site ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_asym_id not given for atom_site ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_atom_id not given for atom_site ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_comp_id not given for atom_site ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_entity_id not given for atom_site ciftbx warning: test.cif data_mumbo_jumbo line: 61 Mandatory item _atom_site.label_seq_id not given for atom_site null null (none) 1 0 null null (none) 1 0 null null (none) 1 0 null null (none) 1 0 null null (none) 1 0 null null (none) 1 0 _dummy_test char (none) 17 0 will it work here _audit_creation_date char yyyy-mm-dd audit 8 0 alias of: _audit.creation_date 91-03-20 _audit_creation_method char text audit 34 0 alias of: _audit.creation_method from_xtal_archive_file_using_CIFIO _audit_update_record text text audit 56 0 alias of: _audit.update_record 91-04-09 text and data added by Tony Willis. 91-04-15 rec'd by co-editor with diagram as manuscript HL7. 91-04-17 adjustments based on first referees report. 91-04-18 adjustments based on second referee's report. _chemical_name_systematic char text chemical 65 0 alias of: _chemical.name_systematic trans-3-Benzoyl-2-(tert-butyl)-4-(iso-butyl)-1,3-oxazolidin-5-one _chemical_formula_moiety char text chemical_formula 12 0 alias of: _chemical_formula.moiety C18 H25 N O3 _chemical_formula_sum char text chemical_formula 12 0 alias of: _chemical_formula.sum C18 H25 N O3 _chemical_formula_weight numb float chemical_formula 6 0 alias of: _chemical_formula.weight 303.4000 0.0000 _chemical_melting_point null float chemical 1 0 alias of: _chemical.melting_point _cell_length_a null float cell 1 0 alias of: _cell.length_a _cell_length_b numb float cell 9 0 alias of: _cell.length_b 14.9560 0.0010 _cell_length_c numb float cell 9 0 alias of: _cell.length_c 19.7370 0.0030 _cell_angle_alpha numb float cell 2 0 alias of: _cell.angle_alpha 90.0000 0.0000 _cell_angle_beta numb float cell 2 0 alias of: _cell.angle_beta 90.0000 0.0000 _cell_angle_gamma numb float cell 2 0 alias of: _cell.angle_gamma 90.0000 0.0000 _cell_volume numb float cell 9 0 alias of: _cell.volume 1759.0000 0.3000 _cell_formula_units_Z numb int cell 1 0 alias of: _cell.formula_units_Z 4.0000 0.0000 _cell_measurement_temperature numb float cell_measurement 3 0 alias of: _cell_measurement.temp 293.0000 0.0000 _cell_measurement_reflns_used numb int cell_measurement 2 0 alias of: _cell_measurement.reflns_used 25.0000 0.0000 _cell_measurement_theta_min numb float cell_measurement 2 0 alias of: _cell_measurement.theta_min 25.0000 0.0000 _cell_measurement_theta_max numb float cell_measurement 2 0 alias of: _cell_measurement.theta_max 31.0000 0.0000 null null (none) 1 0 _blat2 char (none) 1 4 2 _blat1 char (none) 1 4 1 _blat2 char (none) 1 4 4 _blat1 char (none) 1 4 3 _blat2 char (none) 1 4 6 _blat1 char (none) 1 4 5 _blat2 char (none) 1 4 b _blat1 char (none) 1 4 a _blat2 char (none) 1 4 d _blat1 char (none) 1 4 c null null (none) 1 4 _symmetry_cell_setting char ucode symmetry 12 0 alias of: _symmetry.cell_setting orthorhombic _symmetry_space_group_name_H-M char line symmetry 10 0 alias of: _symmetry.space_group_name_H-M P 21 21 21 _symmetry_space_group_name_Hall char line symmetry 9 0 alias of: _symmetry.space_group_name_Hall P_2ac_2ab null null (none) 1 0 _atom_type_symbol char code atom_type 1 1 alias of: _atom_type.symbol S _atom_type_oxidation_number numb int atom_type 1 1 alias of: _atom_type.oxidation_number 0.0000 0.0000 _atom_type_number_in_cell numb int atom_type 1 1 alias of: _atom_type.number_in_cell 6.0000 0.0000 _atom_type_scat_dispersion_real numb float atom_type 7 1 alias of: _atom_type.scat_dispersion_real 0.3190 0.0000 _atom_type_scat_dispersion_imag numb float atom_type 4 1 alias of: _atom_type.scat_dispersion_imag 0.5570 0.0000 _atom_type_scat_source char text atom_type 32 1 alias of: _atom_type.scat_source Int_Tab_Vol_III_p202_Tab._3.3.1a _atom_type_symbol char code atom_type 1 1 alias of: _atom_type.symbol O _atom_type_oxidation_number numb int atom_type 1 1 alias of: _atom_type.oxidation_number 0.0000 0.0000 _atom_type_number_in_cell numb int atom_type 1 1 alias of: _atom_type.number_in_cell 6.0000 0.0000 _atom_type_number_in_cell numb int atom_type 2 1 alias of: _atom_type.number_in_cell 20.0000 0.0000 _atom_type_oxidation_number numb int atom_type 1 1 alias of: _atom_type.oxidation_number 0.0000 0.0000 _atom_type_scat_dispersion_real numb float atom_type 4 1 alias of: _atom_type.scat_dispersion_real 0.0170 0.0000 null null (none) 1 1 null null (none) 1 1 _atom_site_label char code atom_site 1 2 alias of: _atom_site.id s _atom_site_fract_x numb float atom_site 6 2 alias of: _atom_site.fract_x 0.2020 0.0000 _atom_site_fract_y numb float atom_site 6 2 alias of: _atom_site.fract_y 0.7980 0.0000 _atom_site_fract_z numb float atom_site 6 2 alias of: _atom_site.fract_z 0.9167 0.0000 _atom_site_U_iso_or_equiv numb float atom_site 7 2 alias of: _atom_site.U_iso_or_equiv 0.0300 0.0030 _atom_site_thermal_displace_type char ucode atom_site 3 2 alias of: _atom_site.thermal_displace_type Uij _atom_site_calc_flag null ucode atom_site 1 2 alias of: _atom_site.calc_flag _atom_site_calc_attached_atom null code atom_site 1 2 alias of: _atom_site.calc_attached_atom _atom_site_type_symbol char code atom_site 1 2 alias of: _atom_site.type_symbol s _atom_site_type_symbol char code atom_site 1 2 alias of: _atom_site.type_symbol o _atom_site_type_symbol char code atom_site 1 2 alias of: _atom_site.type_symbol c _atom_site_type_symbol char code atom_site 1 2 alias of: _atom_site.type_symbol s _rubish_here null null (none) 1 2 _atom_site_type_symbol char code atom_site 1 2 alias of: _atom_site.type_symbol o _atom_site_type_symbol char code atom_site 1 2 alias of: _atom_site.type_symbol c _atom_site_type_symbol char code atom_site 1 2 alias of: _atom_site.type_symbol s _symmetry_space_group_name_Hall char line symmetry 9 0 alias of: _symmetry.space_group_name_Hall P_2ac_2ab _atom_site_type_symbol char code atom_site 1 2 alias of: _atom_site.type_symbol s _atom_site_type_symbol char code atom_site 1 2 alias of: _atom_site.type_symbol o _atom_site_type_symbol char code atom_site 1 2 alias of: _atom_site.type_symbol c _atom_site_type_symbol char code atom_site 1 2 alias of: _atom_site.type_symbol s null null (none) 1 2 _atom_site_aniso_label char code atom_site_anisotrop 1 3 alias of: _atom_site_anisotrop.id s _atom_site_aniso_U_11 numb float atom_site_anisotrop 7 3 alias of: _atom_site_anisotrop.U[1][1] 0.0350 0.0040 _atom_site_aniso_U_22 numb float atom_site_anisotrop 7 3 alias of: _atom_site_anisotrop.U[2][2] 0.0250 0.0030 _atom_site_aniso_U_33 numb float atom_site_anisotrop 7 3 alias of: _atom_site_anisotrop.U[3][3] 0.0250 0.0030 _atom_site_aniso_U_12 numb float atom_site_anisotrop 7 3 alias of: _atom_site_anisotrop.U[1][2] 0.0130 0.0010 _atom_site_aniso_U_13 numb float atom_site_anisotrop 6 3 alias of: _atom_site_anisotrop.U[1][3] 0.0000 0.0000 _atom_site_aniso_U_23 numb float atom_site_anisotrop 6 3 alias of: _atom_site_anisotrop.U[2][3] 0.0000 0.0000 _atom_site_aniso_type_symbol char code atom_site_anisotrop 1 3 alias of: _atom_site_anisotrop.type_symbol s _atom_site_aniso_U_12 numb float atom_site_anisotrop 7 3 alias of: _atom_site_anisotrop.U[1][2] 0.0130 0.0010 _atom_site_aniso_U_12 numb float atom_site_anisotrop 7 3 alias of: _atom_site_anisotrop.U[1][2] 0.0130 0.0010 _atom_site_aniso_U_12 numb float atom_site_anisotrop 7 3 alias of: _atom_site_anisotrop.U[1][2] 0.0130 0.0010 null null (none) 1 3 null null (none) 1 3 null null (none) 1 3 null null (none) 1 3 null null (none) 1 3 ciftbx warning: mtest.new data_mumbo_jumbo line: 74 Output CIF line longer than line_ ciftbx warning: mtest.new data_mumbo_jumbo line: 74 Output CIF line longer than line_ ciftbx warning: mtest.xew data_mumbo_jumbo line: 74 Output CIF line longer than line_