266 Lattice="49.6922806775 0.0 0.0 0.0 15.5737947006 0.0 0.0 0.0 14.751804936900001" Properties=species:S:1:pos:R:3 pbc="F F F" C 39.66937162 6.19797813 9.60841193 C 40.42371208 5.36604757 10.43298115 C 41.83203726 5.39883855 10.41323496 C 42.55411453 6.24681997 9.58847231 C 41.80685362 7.12851611 8.73900284 C 40.38024478 7.07809180 8.74629344 N 39.68315339 7.86205382 7.89022781 C 40.31371870 8.70092654 7.09651515 C 41.74521583 8.84310332 7.18824243 N 42.43668923 8.03377451 7.96302742 C 42.53008632 9.89206307 6.48552361 C 42.12610239 11.22461791 6.47521703 C 42.89171025 12.22701675 5.88033264 C 44.09153478 11.87503355 5.23013794 C 44.52478365 10.53263634 5.25977086 C 43.74841497 9.56446964 5.89007264 C 39.46156081 9.42513979 6.11924284 C 38.17689340 9.83252285 6.49602545 C 37.31395315 10.47239183 5.61550435 C 37.73327587 10.70388095 4.29256168 C 38.99910720 10.25048895 3.91680706 C 39.86538713 9.64132149 4.80185434 F 39.40341186 10.38734792 2.62492485 C 44.01508188 6.21204389 9.60895895 C 44.92656063 7.19048994 9.29821139 C 46.26082861 6.76668734 9.49930682 C 46.39711508 5.46458838 9.95503951 S 44.83328683 4.71745180 10.14611366 C 47.74068999 5.04504993 10.14120368 C 48.61541489 6.04198466 9.82630412 S 47.82934038 7.51331858 9.29140034 H 48.04598064 4.06823417 10.48683153 H 44.62873423 8.16082282 8.93889881 H 42.37448149 4.74993424 11.08422541 C 38.19935278 6.17684050 9.62997038 C 37.34174655 5.75093311 8.64741385 C 36.00619123 5.94692939 9.07739150 C 35.81224957 6.49204544 10.32213164 S 37.35237030 6.82078821 11.06430584 C 34.40233544 6.57452904 10.53443485 C 33.83603917 6.07809001 9.37104641 O 34.81730777 5.69616146 8.46828595 H 41.20525440 11.50607886 6.97104069 H 44.09566796 8.54086076 5.91247979 H 37.84928128 9.63713286 7.50842625 H 40.82766411 9.31452987 4.43348481 S 45.14616224 13.11974903 4.46262997 C 44.06614498 13.81530246 3.14559887 H 44.73243362 14.38742453 2.50066581 H 43.29942178 14.47879552 3.53815036 H 43.60931431 13.01555050 2.56518002 S 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41.05596364 2.94208843 11.55927047 C 42.41574309 13.65244972 5.99302797 H 43.25568338 14.34100700 6.09150255 H 41.83893799 13.95608523 5.11534273 H 41.76635750 13.76761335 6.86111543 C 27.99150379 6.52989752 8.82268017 C 28.12083529 5.53864595 7.80891723 C 29.32728126 4.98361948 7.39019195 C 30.47538329 5.45765163 8.04670940 C 30.33495379 6.42884613 9.06277705 C 29.14516727 6.98392290 9.50870058 C 29.14762354 7.92725119 10.65728810 C 28.39982656 7.64875276 11.80356737 C 28.45555216 8.51771692 12.87414249 C 29.24285333 9.65863993 12.82713968 C 30.00210358 9.96464831 11.70466680 C 29.93945969 9.07915541 10.62936015 F 29.26984738 10.47867842 13.89959088 F 27.74435275 8.26158142 13.98992868 O 31.55858922 6.71407918 9.59888723 C 32.47773227 5.92056502 8.94090290 C 31.88131400 5.12922876 7.99418191 C 29.35920346 3.96237123 6.30563405 C 28.95881232 2.64595889 6.54750302 C 28.98323732 1.69734192 5.53170523 C 29.39863700 2.03058441 4.24131799 C 29.79286501 3.34876717 4.00261152 C 29.77260686 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