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 0.17736691 0.11384917 0.37133532 # 1 Zr1 0.59351467 0.42315572 0.16247523 # 2 Zr2 0.39380888 0.12307351 0.37524549 # 3 Zr3 0.37256433 0.41336376 0.15226456 # 4 Zr4 0.28188653 0.16530843 0.15794882 # 5 Zr5 0.48591127 0.37095385 0.37313872 # 6 Zr6 0.51095116 0.16387029 0.15183002 # 7 Zr7 0.25570111 0.37167197 0.37396604 # 8 Zr8 0.17737302 0.11380088 0.87112556 # 9 Zr9 0.59887498 0.42517547 0.65210569 # 10 Zr10 0.39400769 0.12334470 0.87546760 # 11 Zr11 0.37241806 0.41339086 0.65304330 # 12 Zr12 0.28198147 0.16523856 0.65790946 # 13 Zr13 0.48769860 0.37125124 0.87114751 # 14 Zr14 0.51125867 0.16463691 0.65277879 # 15 Zr15 0.25560198 0.37167635 0.87398716 # 16 Zr16 0.17729216 0.61322450 0.37195803 # 17 Zr17 0.58724672 0.91798137 0.15913151 # 18 Zr18 0.39325167 0.62103294 0.37659576 # 19 Zr19 0.37139360 0.91469430 0.15297954 # 20 Zr20 0.28185414 0.66503463 0.15849554 # 21 Zr21 0.48274255 0.86996919 0.37181969 # 22 Zr22 0.50911262 0.66046988 0.15647258 # 23 Zr23 0.25521754 0.87165100 0.37401782 # 24 Zr24 0.17732904 0.61336707 0.87181034 # 25 Zr25 0.58715206 0.91894249 0.65838546 # 26 Zr26 0.39348369 0.62095225 0.87660868 # 27 Zr27 0.37150292 0.91461862 0.65307817 # 28 Zr28 0.28192531 0.66520402 0.65842667 # 29 Zr29 0.48267352 0.87000216 0.87125041 # 30 Zr30 0.51036981 0.65791157 0.65583064 # 31 Zr31 0.25528377 0.87169557 0.87391061 # 32 Zr32 0.22934353 0.18066995 0.48962120 # 33 O1 0.54094410 0.34568172 0.03545544 # 34 O2 0.46264489 0.18518123 0.47878979 # 35 O3 0.30274842 0.35235608 0.04999874 # 36 O4 0.34699328 0.10256203 0.04950040 # 37 O5 0.41925166 0.43485654 0.48073436 # 38 O6 0.58177953 0.09065407 0.06397707 # 39 O7 0.18076200 0.43578604 0.45974663 # 40 O8 0.32823431 0.25930228 0.29313390 # 41 O9 0.43648970 0.27716114 0.23666952 # 42 O10 0.55096820 0.26720368 0.27952048 # 43 O11 0.21216670 0.26843074 0.24709675 # 44 O12 0.22013937 0.03104822 0.24127885 # 45 O13 0.54747505 0.50581701 0.29357934 # 46 O14 0.44020011 0.02795265 0.23599880 # 47 O15 0.32506931 0.50737741 0.29268630 # 48 O16 0.22934453 0.18058981 0.98948487 # 49 O17 0.54218342 0.34907929 0.53662387 # 50 O18 0.46301020 0.18472991 0.97668279 # 51 O19 0.30289820 0.35232133 0.55031117 # 52 O20 0.34687457 0.10237990 0.54928006 # 53 O21 0.41977539 0.43462151 0.97956058 # 54 O22 0.58123631 0.09127132 0.56335301 # 55 O23 0.18073394 0.43578130 0.95955301 # 56 O24 0.32855410 0.25936876 0.79303684 # 57 O25 0.43749693 0.27782030 0.73624428 # 58 O26 0.55474795 0.26856036 0.77512213 # 59 O27 0.21223493 0.26840658 0.74702207 # 60 O28 0.22017337 0.03102774 0.74116106 # 61 O29 0.55119715 0.50237671 0.78764484 # 62 O30 0.44021446 0.02819955 0.73615749 # 63 O31 0.32527678 0.50747343 0.79267825 # 64 O32 0.22904280 0.68054312 0.49024321 # 65 O33 0.53396455 0.85214684 0.04229878 # 66 O34 0.46097792 0.68407219 0.48015489 # 67 O35 0.30218342 0.85230674 0.05046509 # 68 O36 0.34688833 0.60097074 0.05007136 # 69 O37 0.41797747 0.93625837 0.47946193 # 70 O38 0.57918504 0.60075299 0.06638922 # 71 O39 0.18043104 0.93651170 0.45955674 # 72 O40 0.32751863 0.75907758 0.29405435 # 73 O41 0.43500948 0.77672760 0.23758253 # 74 O42 0.55115570 0.76539231 0.28468990 # 75 O43 0.21171090 0.76793558 0.24750355 # 76 O44 0.22037374 0.53084412 0.24181681 # 77 O45 0.54542087 0.00349141 0.28868612 # 78 O46 0.44097774 0.52701139 0.23748680 # 79 O47 0.32461990 0.00820250 0.29256225 # 80 O48 0.22903833 0.68050724 0.99022835 # 81 O49 0.53444916 0.85060880 0.54210574 # 82 O50 0.46093035 0.68454598 0.97945858 # 83 O51 0.30224344 0.85226630 0.55039605 # 84 O52 0.34687988 0.60074710 0.55043922 # 85 O53 0.41788212 0.93598834 0.97940105 # 86 O54 0.58093617 0.59860677 0.56241246 # 87 O55 0.18042907 0.93650126 0.95939054 # 88 O56 0.32757552 0.75916063 0.79403036 # 89 O57 0.43519871 0.77659096 0.73698273 # 90 O58 0.55132338 0.76456531 0.78380762 # 91 O59 0.21173019 0.76798797 0.74747339 # 92 O60 0.22048021 0.53092601 0.74180122 # 93 O61 0.54538047 0.00379869 0.78869805 # 94 O62 0.44239257 0.52748042 0.73810666 # 95 O63 0.32461823 0.00823570 0.79255028 # 96 O64 0.67694479 0.39516227 0.18865704 # 97 O65 0.68902337 0.41072405 0.64045521 # 98 O66 0.75819127 0.43001985 0.65868067 # 99 Si 0.80368808 0.34660990 0.21950017 # 100 N 0.78237840 0.35354643 0.82912481 # 101 C1 0.81656727 0.35520760 0.56218355 # 102 C2 0.77607245 0.60794835 0.62209686 # 103 C3 0.83970376 0.45928837 0.19899331 # 104 C4 0.83140443 0.22716431 0.27358118 # 105 C5 0.76862523 0.25251533 0.84202557 # 106 H1 0.82936998 0.35259546 0.83499436 # 107 H2 0.76567214 0.39509940 0.91281561 # 108 H3 0.81883236 0.24973915 0.58230660 # 109 H4 0.81903057 0.38515728 0.45473023 # 110 H5 0.85642058 0.38921127 0.60433014 # 111 H6 0.76402043 0.65639096 0.70586184 # 112 H7 0.82207992 0.62460443 0.60212252 # 113 H8 0.75244864 0.65477284 0.53391013 # 114 H9 0.88148067 0.44567635 0.15140260 # 115 H10 0.81790154 0.53748764 0.13525342 # 116 H11 0.84870387 0.49374488 0.29343891 # 117 H12 0.83758509 0.21954664 0.38130487 # 118 H13 0.80447309 0.14605805 0.25867299 # 119 H14 0.87380698 0.21200644 0.22983901 # 120 H15 0.78031708 0.33944209 0.13788160 # 121 H16 0.70668152 0.38264802 0.25459647 # 122 H17