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 0.17415017 0.11430067 0.36499935 # 1 Zr1 0.59133227 0.41979955 0.15220876 # 2 Zr2 0.39039013 0.12331354 0.36960893 # 3 Zr3 0.36895029 0.41387718 0.14561290 # 4 Zr4 0.27853049 0.16556728 0.15196986 # 5 Zr5 0.48249175 0.37143419 0.36372759 # 6 Zr6 0.50744765 0.16466805 0.14634423 # 7 Zr7 0.25227583 0.37191882 0.36778865 # 8 Zr8 0.17416444 0.11424956 0.86484197 # 9 Zr9 0.59263280 0.42457134 0.63882687 # 10 Zr10 0.39062035 0.12397267 0.87003270 # 11 Zr11 0.36892666 0.41386787 0.64619228 # 12 Zr12 0.27858520 0.16565433 0.65205684 # 13 Zr13 0.48419673 0.37186084 0.86446228 # 14 Zr14 0.50720616 0.16493532 0.64723674 # 15 Zr15 0.25222394 0.37194020 0.86776069 # 16 Zr16 0.17410105 0.61373171 0.36565261 # 17 Zr17 0.58333335 0.91848709 0.15293314 # 18 Zr18 0.38997607 0.62131630 0.37051292 # 19 Zr19 0.36796776 0.91488806 0.14696279 # 20 Zr20 0.27847502 0.66551719 0.15255743 # 21 Zr21 0.47888651 0.86992792 0.36513144 # 22 Zr22 0.50702595 0.65864680 0.14902482 # 23 Zr23 0.25180594 0.87192349 0.36788830 # 24 Zr24 0.17413822 0.61384718 0.86555535 # 25 Zr25 0.58305835 0.91976114 0.65201221 # 26 Zr26 0.39002574 0.62111530 0.87108674 # 27 Zr27 0.36786668 0.91515688 0.64702525 # 28 Zr28 0.27855918 0.66553826 0.65249711 # 29 Zr29 0.47906848 0.87039603 0.86563077 # 30 Zr30 0.50608275 0.65925940 0.65029848 # 31 Zr31 0.25187745 0.87195975 0.86788112 # 32 Zr32 0.22610171 0.18070699 0.48339258 # 33 O1 0.53757404 0.34870084 0.02927568 # 34 O2 0.45931660 0.18599984 0.47182619 # 35 O3 0.29917252 0.35284616 0.04413294 # 36 O4 0.34371271 0.10310757 0.04380647 # 37 O5 0.41602270 0.43501305 0.47367602 # 38 O6 0.57909201 0.09229459 0.05890783 # 39 O7 0.17691007 0.43585037 0.45283726 # 40 O8 0.32489596 0.25965935 0.28731561 # 41 O9 0.43344779 0.27773605 0.22949079 # 42 O10 0.54911593 0.26640790 0.27270579 # 43 O11 0.20871557 0.26879937 0.24070842 # 44 O12 0.21681150 0.03132820 0.23490260 # 45 O13 0.54553553 0.50314927 0.28431699 # 46 O14 0.43668939 0.02844464 0.22998878 # 47 O15 0.32172201 0.50772428 0.28668207 # 48 O16 0.22611017 0.18063588 0.98329259 # 49 O17 0.53768066 0.35046082 0.52895856 # 50 O18 0.45988624 0.18585125 0.97081311 # 51 O19 0.29928569 0.35280145 0.54437533 # 52 O20 0.34344977 0.10271013 0.54351611 # 53 O21 0.41633460 0.43514642 0.97340467 # 54 O22 0.57795862 0.09273837 0.55746957 # 55 O23 0.17684562 0.43583220 0.95264311 # 56 O24 0.32502130 0.25979941 0.78739668 # 57 O25 0.43391181 0.27817618 0.73016250 # 58 O26 0.55130165 0.26994639 0.76814842 # 59 O27 0.20874492 0.26879988 0.74064330 # 60 O28 0.21688441 0.03131443 0.73482591 # 61 O29 0.54765002 0.50246169 0.77841295 # 62 O30 0.43676767 0.02877972 0.73011358 # 63 O31 0.32183989 0.50776168 0.78694180 # 64 O32 0.22578714 0.68063149 0.48409386 # 65 O33 0.53092722 0.85158356 0.03537501 # 66 O34 0.45734042 0.68478136 0.47417078 # 67 O35 0.29868393 0.85277960 0.04458328 # 68 O36 0.34355316 0.60130957 0.04441007 # 69 O37 0.41434163 0.93647448 0.47326986 # 70 O38 0.57829886 0.59877074 0.06001830 # 71 O39 0.17652652 0.93659414 0.45265230 # 72 O40 0.32398199 0.75944426 0.28841543 # 73 O41 0.43158986 0.77675727 0.23085962 # 74 O42 0.54776110 0.76469387 0.27760395 # 75 O43 0.20820210 0.76833266 0.24115985 # 76 O44 0.21708699 0.53117075 0.23547927 # 77 O45 0.54152705 0.00343844 0.28239814 # 78 O46 0.43830352 0.52758673 0.23128993 # 79 O47 0.32116272 0.00842128 0.28674713 # 80 O48 0.22579481 0.68064337 0.98410481 # 81 O49 0.53063732 0.85152396 0.53562582 # 82 O50 0.45793901 0.68425692 0.97336681 # 83 O51 0.29867939 0.85273444 0.54457436 # 84 O52 0.34350767 0.60104978 0.54455987 # 85 O53 0.41445469 0.93653695 0.97331539 # 86 O54 0.57689133 0.59823642 0.55450412 # 87 O55 0.17649825 0.93658049 0.95246763 # 88 O56 0.32399476 0.75956882 0.78845803 # 89 O57 0.43170073 0.77689889 0.73117820 # 90 O58 0.54788412 0.76513900 0.77741762 # 91 O59 0.20819025 0.76839394 0.74116135 # 92 O60 0.21716895 0.53123568 0.73548753 # 93 O61 0.54165222 0.00446512 0.78254005 # 94 O62 0.43875538 0.52791167 0.73176868 # 95 O63 0.32124198 0.00867776 0.78699556 # 96 O64 0.67809772 0.39150259 0.17876847 # 97 O65 0.69758400 0.40168425 0.55616758 # 98 O66 0.79714790 0.42283076 0.62928965 # 99 Si 0.81763834 0.36861248 0.34765870 # 100 N 0.78784213 0.32180925 0.79737488 # 101 C1 0.87351300 0.36775370 0.59218748 # 102 C2 0.79950676 0.60455780 0.61190931 # 103 C3 0.84861674 0.46529862 0.26057374 # 104 C4 0.83269013 0.23796868 0.34073823 # 105 C5 0.75017432 0.26063849 0.79481597 # 106 H1 0.82576953 0.25955694 0.81692050 # 107 H2 0.78334197 0.37604065 0.87980332 # 108 H3 0.87546230 0.26279962 0.60288161 # 109 H4 0.89344757 0.40628748 0.49784681 # 110 H5 0.90006305 0.39508028 0.67333022 # 111 H6 0.79289081 0.63202546 0.71084132 # 112 H7 0.84170364 0.64216183 0.57374571 # 113 H8 0.76598735 0.65136277 0.54533490 # 114 H9 0.88847491 0.43208094 0.21804074 # 115 H10 0.82255262 0.51135166 0.17449533 # 116 H11 0.86030625 0.54771158 0.31091376 # 117 H12 0.83167370 0.17720232 0.43983284 # 118 H13 0.80111597 0.19006446 0.28273889 # 119 H14 0.87516148 0.22417554 0.29681790 # 120 H15 0.70995031 0.35139565 0.13724941 # 121 H16 0.69860167 0.39272629 0.45557494 # 122 H17