No title 1.0 23.46002000 0.00000000 0.00000000 0.00000000 10.57808000 0.00000000 0.00000000 1.64321125 10.11785387 Zr O Si N C H 32 66 1 1 5 17 Direct 0.17041740 0.11466885 0.35847742 # 1 Zr1 0.58626907 0.42227967 0.14437875 # 2 Zr2 0.38652663 0.12365591 0.36284778 # 3 Zr3 0.36524638 0.41415980 0.13959302 # 4 Zr4 0.27478908 0.16604975 0.14519189 # 5 Zr5 0.47840697 0.37174193 0.35778074 # 6 Zr6 0.50354784 0.16404203 0.13984445 # 7 Zr7 0.24873373 0.37238394 0.36113408 # 8 Zr8 0.17037450 0.11476532 0.85810555 # 9 Zr9 0.58570577 0.42313408 0.63821413 # 10 Zr10 0.38674350 0.12406227 0.86333803 # 11 Zr11 0.36534182 0.41420832 0.64023725 # 12 Zr12 0.27490664 0.16609188 0.64527310 # 13 Zr13 0.47962100 0.37214338 0.85845982 # 14 Zr14 0.50311143 0.16469027 0.64009216 # 15 Zr15 0.24868738 0.37241816 0.86111963 # 16 Zr16 0.17036516 0.61393164 0.35920053 # 17 Zr17 0.58025750 0.91904448 0.14672783 # 18 Zr18 0.38609803 0.62180045 0.36429281 # 19 Zr19 0.36433594 0.91531162 0.14064487 # 20 Zr20 0.27474552 0.66591392 0.14573926 # 21 Zr21 0.47560961 0.87084220 0.35964320 # 22 Zr22 0.50202681 0.66101280 0.14453282 # 23 Zr23 0.24821032 0.87238412 0.36130502 # 24 Zr24 0.17035300 0.61401428 0.85891049 # 25 Zr25 0.58010282 0.92038036 0.64623481 # 26 Zr26 0.38628778 0.62169601 0.86446753 # 27 Zr27 0.36429792 0.91545299 0.64080385 # 28 Zr28 0.27484419 0.66601069 0.64585031 # 29 Zr29 0.47567828 0.87115591 0.85947800 # 30 Zr30 0.50192137 0.66130067 0.64494924 # 31 Zr31 0.24821669 0.87248789 0.86131459 # 32 Zr32 0.22244162 0.18145059 0.47655683 # 33 O1 0.53284392 0.34738488 0.02316311 # 34 O2 0.45473657 0.18515784 0.46536898 # 35 O3 0.29574760 0.35299288 0.03728436 # 36 O4 0.33989614 0.10322486 0.03715839 # 37 O5 0.41204464 0.43593367 0.46762852 # 38 O6 0.57526783 0.09236424 0.05256880 # 39 O7 0.17390263 0.43656130 0.44722192 # 40 O8 0.32109347 0.26006453 0.28056558 # 41 O9 0.42923763 0.27767569 0.22301932 # 42 O10 0.54429083 0.26758490 0.26582575 # 43 O11 0.20509274 0.26925423 0.23404628 # 44 O12 0.21309170 0.03175772 0.22841918 # 45 O13 0.54105092 0.50558739 0.27889661 # 46 O14 0.43315014 0.02853977 0.22401887 # 47 O15 0.31797897 0.50819568 0.28003978 # 48 O16 0.22240439 0.18140760 0.97639961 # 49 O17 0.53143950 0.34741002 0.52197930 # 50 O18 0.45559568 0.18509501 0.96500619 # 51 O19 0.29584777 0.35299946 0.53748502 # 52 O20 0.33966095 0.10286900 0.53687736 # 53 O21 0.41245774 0.43573571 0.96750186 # 54 O22 0.57391378 0.09260518 0.55077804 # 55 O23 0.17388770 0.43664399 0.94708446 # 56 O24 0.32130279 0.26013157 0.78063055 # 57 O25 0.42968526 0.27823334 0.72383730 # 58 O26 0.54530140 0.26820514 0.76460007 # 59 O27 0.20518266 0.26932003 0.73392236 # 60 O28 0.21313038 0.03179212 0.72828043 # 61 O29 0.54212373 0.50609207 0.77793185 # 62 O30 0.43307103 0.02885929 0.72410108 # 63 O31 0.31813704 0.50827777 0.78028849 # 64 O32 0.22209100 0.68140999 0.47734077 # 65 O33 0.52692765 0.85345611 0.03020369 # 66 O34 0.45341755 0.68579994 0.46774559 # 67 O35 0.29519268 0.85305938 0.03783493 # 68 O36 0.33970523 0.60171010 0.03752672 # 69 O37 0.41091701 0.93687528 0.46755636 # 70 O38 0.57214183 0.60174638 0.05315180 # 71 O39 0.17347970 0.93735812 0.44696219 # 72 O40 0.32041188 0.75980620 0.28151064 # 73 O41 0.42800716 0.77757826 0.22523577 # 74 O42 0.54428348 0.76604943 0.27234234 # 75 O43 0.20462914 0.76877104 0.23459393 # 76 O44 0.21331258 0.53158013 0.22892116 # 77 O45 0.53829417 0.00405684 0.27618469 # 78 O46 0.43392552 0.52819827 0.22476850 # 79 O47 0.31747866 0.00872973 0.28004635 # 80 O48 0.22199582 0.68150158 0.97727834 # 81 O49 0.52715546 0.85289658 0.52997470 # 82 O50 0.45389699 0.68553935 0.96737468 # 83 O51 0.29527824 0.85296279 0.53777562 # 84 O52 0.33967873 0.60161854 0.53779283 # 85 O53 0.41087244 0.93686476 0.96737806 # 86 O54 0.57033243 0.60166321 0.54889032 # 87 O55 0.17341687 0.93752656 0.94674132 # 88 O56 0.32046060 0.75993366 0.78160174 # 89 O57 0.42801009 0.77777800 0.72533434 # 90 O58 0.54442813 0.76664671 0.77201445 # 91 O59 0.20466694 0.76884553 0.73453280 # 92 O60 0.21342860 0.53161523 0.72889199 # 93 O61 0.53827241 0.00478223 0.77626638 # 94 O62 0.43441908 0.52816249 0.72523080 # 95 O63 0.31753877 0.00897800 0.78025584 # 96 O64 0.67068167 0.39439431 0.15978622 # 97 O65 0.67094899 0.39845923 0.61763133 # 98 O66 0.84412479 0.41100855 0.59698688 # 99 Si 0.83715618 0.37857168 0.43455695 # 100 N 0.80298324 0.30613549 0.73138043 # 101 C1 0.92100635 0.37704099 0.64482939 # 102 C2 0.82792480 0.58483589 0.60500917 # 103 C3 0.85809462 0.46784539 0.32141818 # 104 C4 0.83509242 0.24896498 0.40397368 # 105 C5 0.75610912 0.30405278 0.72435138 # 106 H1 0.81938588 0.20709063 0.74964500 # 107 H2 0.81328267 0.34675399 0.82152387 # 108 H3 0.92808835 0.27351849 0.64950593 # 109 H4 0.95020302 0.42705896 0.56980140 # 110 H5 0.93195506 0.40252963 0.74188582 # 111 H6 0.82723798 0.59439339 0.71071315 # 112 H7 0.86073297 0.65150590 0.55767444 # 113 H8 0.78604873 0.61726876 0.56400896 # 114 H9 0.89894551 0.43522722 0.28332051 # 115 H10 0.82736334 0.47731183 0.23882745 # 116 H11 0.86535254 0.56430654 0.34514669 # 117 H12 0.82352389 0.17809922 0.49047693 # 118 H13 0.80317412 0.24218914 0.32611460 # 119 H14 0.87660083 0.21915814 0.36655041 # 120 H15 0.69979273 0.33770195 0.13125972 # 121 H16 0.68959573 0.39812524 0.53500269 # 122 H17