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 0.17200133 0.11446284 0.36134712 # 1 Zr1 0.58836193 0.42085704 0.14693042 # 2 Zr2 0.38825291 0.12362162 0.36581475 # 3 Zr3 0.36689610 0.41399996 0.14205154 # 4 Zr4 0.27640370 0.16581769 0.14816360 # 5 Zr5 0.48005606 0.37169484 0.35973805 # 6 Zr6 0.50518548 0.16406726 0.14271539 # 7 Zr7 0.25028438 0.37219998 0.36393987 # 8 Zr8 0.17197881 0.11449337 0.86099231 # 9 Zr9 0.58840897 0.42252010 0.63654269 # 10 Zr10 0.38847544 0.12413882 0.86631058 # 11 Zr11 0.36699672 0.41406853 0.64289760 # 12 Zr12 0.27651875 0.16586677 0.64820683 # 13 Zr13 0.48174548 0.37212843 0.86072128 # 14 Zr14 0.50468337 0.16470559 0.64302434 # 15 Zr15 0.25021200 0.37222275 0.86392062 # 16 Zr16 0.17196022 0.61382360 0.36199637 # 17 Zr17 0.58173865 0.91889503 0.14928069 # 18 Zr18 0.38782147 0.62151477 0.36700669 # 19 Zr19 0.36592005 0.91512266 0.14352119 # 20 Zr20 0.27636335 0.66575564 0.14873327 # 21 Zr21 0.47709134 0.87034914 0.36212739 # 22 Zr22 0.50423118 0.66002076 0.14666235 # 23 Zr23 0.24978690 0.87220062 0.36411357 # 24 Zr24 0.17196549 0.61393833 0.86175499 # 25 Zr25 0.58146844 0.92020895 0.64853720 # 26 Zr26 0.38799058 0.62134648 0.86729417 # 27 Zr27 0.36588919 0.91527977 0.64363300 # 28 Zr28 0.27647402 0.66581150 0.64873152 # 29 Zr29 0.47722875 0.87074068 0.86207360 # 30 Zr30 0.50379404 0.66073727 0.64724028 # 31 Zr31 0.24982745 0.87227245 0.86412378 # 32 Zr32 0.22408132 0.18111571 0.47940164 # 33 O1 0.53469374 0.34760659 0.02538882 # 34 O2 0.45650651 0.18527778 0.46797483 # 35 O3 0.29720414 0.35295575 0.04026889 # 36 O4 0.34157543 0.10321562 0.04008367 # 37 O5 0.41364634 0.43566813 0.47021294 # 38 O6 0.57672643 0.09214042 0.05504564 # 39 O7 0.17535699 0.43627954 0.44971701 # 40 O8 0.32269905 0.25987795 0.28347804 # 41 O9 0.43092598 0.27759001 0.22566543 # 42 O10 0.54625083 0.26682973 0.26860390 # 43 O11 0.20662385 0.26903308 0.23688439 # 44 O12 0.21467105 0.03157918 0.23117335 # 45 O13 0.54323857 0.50473618 0.28138088 # 46 O14 0.43470948 0.02851001 0.22668517 # 47 O15 0.31966846 0.50796176 0.28294394 # 48 O16 0.22404566 0.18105419 0.97924821 # 49 O17 0.53307428 0.34789745 0.52405415 # 50 O18 0.45754003 0.18545067 0.96739789 # 51 O19 0.29732290 0.35294772 0.54049108 # 52 O20 0.34135243 0.10283799 0.53985880 # 53 O21 0.41420153 0.43540442 0.96997104 # 54 O22 0.57544044 0.09266555 0.55344814 # 55 O23 0.17528512 0.43632770 0.94953260 # 56 O24 0.32294145 0.25994408 0.78352969 # 57 O25 0.43156974 0.27831132 0.72668985 # 58 O26 0.54777043 0.26823398 0.76611011 # 59 O27 0.20671751 0.26907442 0.73675684 # 60 O28 0.21474476 0.03158111 0.73106028 # 61 O29 0.54467491 0.50523075 0.77869584 # 62 O30 0.43465004 0.02884998 0.72685915 # 63 O31 0.31980953 0.50803849 0.78320253 # 64 O32 0.22373384 0.68107745 0.48017494 # 65 O33 0.52878676 0.85247094 0.03243213 # 66 O34 0.45507293 0.68533584 0.47044181 # 67 O35 0.29668796 0.85297057 0.04081068 # 68 O36 0.34142050 0.60154955 0.04058521 # 69 O37 0.41246777 0.93674123 0.47015309 # 70 O38 0.57460842 0.60098789 0.05601200 # 71 O39 0.17490866 0.93702799 0.44952976 # 72 O40 0.32190374 0.75961892 0.28460567 # 73 O41 0.42950023 0.77722719 0.22789557 # 74 O42 0.54581337 0.76545617 0.27462454 # 75 O43 0.20613937 0.76857531 0.23738240 # 76 O44 0.21493735 0.53143197 0.23167920 # 77 O45 0.53975676 0.00362501 0.27880425 # 78 O46 0.43591947 0.52803563 0.22747361 # 79 O47 0.31909137 0.00858317 0.28301171 # 80 O48 0.22369106 0.68112139 0.98011838 # 81 O49 0.52875979 0.85231977 0.53219250 # 82 O50 0.45570241 0.68491025 0.97001251 # 83 O51 0.29674594 0.85290576 0.54076977 # 84 O52 0.34140190 0.60142023 0.54082910 # 85 O53 0.41246213 0.93674673 0.97003271 # 86 O54 0.57242652 0.60220029 0.55071056 # 87 O55 0.17486675 0.93712854 0.94932591 # 88 O56 0.32195180 0.75975187 0.78463406 # 89 O57 0.42950951 0.77748507 0.72808553 # 90 O58 0.54595297 0.76613546 0.77433631 # 91 O59 0.20617555 0.76864634 0.73734315 # 92 O60 0.21505188 0.53147931 0.73168288 # 93 O61 0.53977747 0.00443918 0.77892133 # 94 O62 0.43645465 0.52793945 0.72820019 # 95 O63 0.31918014 0.00883862 0.78322988 # 96 O64 0.67343173 0.39146121 0.15876063 # 97 O65 0.67221892 0.39973043 0.60114695 # 98 O66 0.83040675 0.41269346 0.58671282 # 99 Si 0.82863357 0.37816640 0.41935144 # 100 N 0.79553324 0.31149217 0.74072338 # 101 C1 0.90723284 0.37383296 0.62520087 # 102 C2 0.81655209 0.58889283 0.59849981 # 103 C3 0.85224549 0.46838152 0.30724187 # 104 C4 0.83269822 0.24777364 0.38741122 # 105 C5 0.74993993 0.28778858 0.74636172 # 106 H1 0.82001945 0.22249470 0.77123957 # 107 H2 0.80324145 0.36805859 0.82164249 # 108 H3 0.90970041 0.26916315 0.63031019 # 109 H4 0.93400463 0.41720719 0.54230034 # 110 H5 0.92268377 0.39914015 0.71900581 # 111 H6 0.81365087 0.59554476 0.70526239 # 112 H7 0.85243330 0.65173856 0.55991705 # 113 H8 0.77692478 0.63179907 0.55369409 # 114 H9 0.89227823 0.43107754 0.26836571 # 115 H10 0.82284423 0.48531432 0.22117952 # 116 H11 0.86272203 0.56337002 0.33157784 # 117 H12 0.82576203 0.17226346 0.47316063 # 118 H13 0.80108184 0.23079965 0.31115370 # 119 H14 0.87512314 0.22858097 0.34530758 # 120 H15 0.70405938 0.34510981 0.12966076 # 121 H16 0.68824894 0.39452300 0.51411858 # 122 H17