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 0.17884096 0.11363962 0.37390659 # 1 Zr1 0.59497802 0.42314216 0.16320195 # 2 Zr2 0.39508168 0.12278088 0.37785154 # 3 Zr3 0.37384062 0.41321010 0.15508110 # 4 Zr4 0.28327831 0.16518093 0.16053817 # 5 Zr5 0.48712080 0.37068373 0.37480529 # 6 Zr6 0.51227941 0.16341732 0.15434404 # 7 Zr7 0.25714089 0.37147790 0.37657765 # 8 Zr8 0.17885707 0.11358342 0.87372397 # 9 Zr9 0.59674343 0.42379944 0.65639590 # 10 Zr10 0.39520216 0.12298687 0.87806426 # 11 Zr11 0.37382073 0.41326303 0.65566413 # 12 Zr12 0.28336431 0.16515489 0.66050973 # 13 Zr13 0.48838453 0.37077742 0.87425111 # 14 Zr14 0.51222294 0.16397656 0.65511933 # 15 Zr15 0.25708827 0.37147918 0.87657008 # 16 Zr16 0.17877385 0.61311247 0.37448322 # 17 Zr17 0.58874413 0.91785213 0.16166603 # 18 Zr18 0.39455661 0.62087272 0.37939712 # 19 Zr19 0.37284360 0.91450507 0.15562677 # 20 Zr20 0.28326248 0.66491204 0.16108066 # 21 Zr21 0.48421074 0.87005303 0.37446869 # 22 Zr22 0.51021924 0.66035562 0.15962165 # 23 Zr23 0.25670406 0.87143510 0.37660181 # 24 Zr24 0.17880815 0.61319084 0.87438653 # 25 Zr25 0.58868384 0.91877622 0.66109475 # 26 Zr26 0.39475865 0.62077142 0.87938246 # 27 Zr27 0.37289428 0.91450801 0.65569829 # 28 Zr28 0.28330745 0.66505881 0.66105366 # 29 Zr29 0.48421072 0.87004062 0.87420783 # 30 Zr30 0.51085447 0.65922167 0.65926728 # 31 Zr31 0.25676683 0.87146093 0.87653855 # 32 Zr32 0.23082094 0.18049314 0.49207912 # 33 O1 0.54184863 0.34546410 0.03828842 # 34 O2 0.46363464 0.18436476 0.48097447 # 35 O3 0.30413227 0.35219946 0.05259529 # 36 O4 0.34835781 0.10233933 0.05218398 # 37 O5 0.42053975 0.43478633 0.48315393 # 38 O6 0.58314443 0.09039404 0.06640349 # 39 O7 0.18223882 0.43571115 0.46257207 # 40 O8 0.32952404 0.25914604 0.29583640 # 41 O9 0.43768656 0.27678096 0.23896694 # 42 O10 0.55241999 0.26710551 0.28136537 # 43 O11 0.21351196 0.26825736 0.24960201 # 44 O12 0.22157569 0.03082633 0.24392737 # 45 O13 0.54881911 0.50562910 0.29535634 # 46 O14 0.44167249 0.02760379 0.23886209 # 47 O15 0.32641090 0.50726388 0.29531621 # 48 O16 0.23084034 0.18040228 0.99194984 # 49 O17 0.54195889 0.34708840 0.53819067 # 50 O18 0.46401917 0.18406940 0.97983611 # 51 O19 0.30424883 0.35217105 0.55279665 # 52 O20 0.34824118 0.10216910 0.55200532 # 53 O21 0.42087452 0.43453264 0.98250673 # 54 O22 0.58267711 0.09113279 0.56605593 # 55 O23 0.18221139 0.43568115 0.96237838 # 56 O24 0.32975151 0.25920199 0.79579739 # 57 O25 0.43832696 0.27725643 0.73894245 # 58 O26 0.55454949 0.26782332 0.77908005 # 59 O27 0.21357691 0.26824948 0.74953221 # 60 O28 0.22162682 0.03081145 0.74382995 # 61 O29 0.55098741 0.50388599 0.79213464 # 62 O30 0.44163039 0.02782316 0.73895789 # 63 O31 0.32656819 0.50736067 0.79535054 # 64 O32 0.23055041 0.68040607 0.49266547 # 65 O33 0.53534140 0.85218793 0.04522047 # 66 O34 0.46216153 0.68445451 0.48261037 # 67 O35 0.30364387 0.85216255 0.05303360 # 68 O36 0.34825402 0.60092649 0.05275213 # 69 O37 0.41939915 0.93596423 0.48235255 # 70 O38 0.58011017 0.60106509 0.06834604 # 71 O39 0.18194060 0.93633167 0.46237893 # 72 O40 0.32891073 0.75893081 0.29668950 # 73 O41 0.43644137 0.77663226 0.24023471 # 74 O42 0.55263844 0.76538753 0.28747194 # 75 O43 0.21310849 0.76782761 0.24998084 # 76 O44 0.22177587 0.53067791 0.24442338 # 77 O45 0.54697183 0.00338404 0.29120224 # 78 O46 0.44214890 0.52698598 0.23998721 # 79 O47 0.32602853 0.00794728 0.29513790 # 80 O48 0.23057262 0.68035101 0.99263867 # 81 O49 0.53566048 0.85136672 0.54503319 # 82 O50 0.46229928 0.68450215 0.98211961 # 83 O51 0.30368708 0.85213111 0.55297450 # 84 O52 0.34821523 0.60078878 0.55300105 # 85 O53 0.41935710 0.93576251 0.98226425 # 86 O54 0.58046461 0.59951850 0.56526286 # 87 O55 0.18193584 0.93630383 0.96220755 # 88 O56 0.32896448 0.75900972 0.79667096 # 89 O57 0.43657351 0.77662346 0.73992514 # 90 O58 0.55287181 0.76504319 0.78682929 # 91 O59 0.21312472 0.76787198 0.74996379 # 92 O60 0.22186884 0.53074130 0.74441022 # 93 O61 0.54686682 0.00358121 0.79116649 # 94 O62 0.44308153 0.52723781 0.74043161 # 95 O63 0.32605073 0.00802510 0.79519013 # 96 O64 0.67772370 0.39610752 0.18290019 # 97 O65 0.68429602 0.40623640 0.65166287 # 98 O66 0.75246577 0.43135254 0.66232695 # 99 Si 0.80171788 0.34259198 0.19554972 # 100 N 0.77985318 0.36459059 0.83310019 # 101 C1 0.80144602 0.35176996 0.55165420 # 102 C2 0.76839309 0.60936503 0.62339155 # 103 C3 0.83705234 0.45747205 0.18204249 # 104 C4 0.83156135 0.22612631 0.25394370 # 105 C5 0.77242859 0.26018939 0.85165647 # 106 H1 0.82624522 0.37999194 0.84037015 # 107 H2 0.75833680 0.40610158 0.91151828 # 108 H3 0.79988189 0.24659572 0.57387906 # 109 H4 0.79396676 0.38017237 0.44518703 # 110 H5 0.84542901 0.38036708 0.57329127 # 111 H6 0.75316982 0.65901653 0.70334041 # 112 H7 0.81444801 0.62820772 0.61008610 # 113 H8 0.74666623 0.65179994 0.53140426 # 114 H9 0.87849938 0.44728091 0.13232476 # 115 H10 0.81403668 0.53775982 0.12375906 # 116 H11 0.84612991 0.48400479 0.27998596 # 117 H12 0.83919043 0.22576453 0.36024526 # 118 H13 0.80495560 0.14234124 0.24520195 # 119 H14 0.87332148 0.21282860 0.20692585 # 120 H15 0.78646843 0.33219926 0.10554762 # 121 H16 0.71528774 0.37662293 0.22342979 # 122 H17