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 0.17614528 0.11402951 0.36898421 # 1 Zr1 0.59261050 0.42271240 0.16244564 # 2 Zr2 0.39264302 0.12327173 0.37303790 # 3 Zr3 0.37131150 0.41351498 0.14989248 # 4 Zr4 0.28064113 0.16539442 0.15567806 # 5 Zr5 0.48478192 0.37112297 0.37121957 # 6 Zr6 0.50987222 0.16435937 0.14971080 # 7 Zr7 0.25446155 0.37183519 0.37173638 # 8 Zr8 0.17612939 0.11399110 0.86872310 # 9 Zr9 0.60036518 0.42666693 0.64818891 # 10 Zr10 0.39284383 0.12368300 0.87321514 # 11 Zr11 0.37127799 0.41349158 0.65073791 # 12 Zr12 0.28072299 0.16537116 0.65564581 # 13 Zr13 0.48693671 0.37171818 0.86928510 # 14 Zr14 0.51005369 0.16524212 0.65060119 # 15 Zr15 0.25432712 0.37186359 0.87176308 # 16 Zr16 0.17606203 0.61339954 0.36960628 # 17 Zr17 0.58583704 0.91809533 0.15687091 # 18 Zr18 0.39206852 0.62109916 0.37422877 # 19 Zr19 0.37019776 0.91476353 0.15073954 # 20 Zr20 0.28058873 0.66522767 0.15621554 # 21 Zr21 0.48144154 0.86989158 0.36925919 # 22 Zr22 0.50840528 0.66002382 0.15343837 # 23 Zr23 0.25396525 0.87182927 0.37176778 # 24 Zr24 0.17608997 0.61357713 0.86938669 # 25 Zr25 0.58573023 0.91905565 0.65599100 # 26 Zr26 0.39229308 0.62097182 0.87430569 # 27 Zr27 0.37027557 0.91467477 0.65081960 # 28 Zr28 0.28067656 0.66534144 0.65615045 # 29 Zr29 0.48135240 0.86995339 0.86894718 # 30 Zr30 0.50945642 0.65706407 0.65312654 # 31 Zr31 0.25403194 0.87187067 0.87167605 # 32 Zr32 0.22811338 0.18071380 0.48737981 # 33 O1 0.54034007 0.34634963 0.03364962 # 34 O2 0.46171095 0.18584088 0.47657832 # 35 O3 0.30140144 0.35254362 0.04785855 # 36 O4 0.34584705 0.10284548 0.04734321 # 37 O5 0.41802665 0.43484532 0.47840899 # 38 O6 0.58056734 0.09100196 0.06158778 # 39 O7 0.17948980 0.43586930 0.45737662 # 40 O8 0.32703346 0.25938849 0.29092074 # 41 O9 0.43538320 0.27749495 0.23441991 # 42 O10 0.54995966 0.26706334 0.27794259 # 43 O11 0.21094402 0.26854994 0.24485720 # 44 O12 0.21886955 0.03119267 0.23887588 # 45 O13 0.54655936 0.50556757 0.29216463 # 46 O14 0.43889809 0.02817363 0.23367626 # 47 O15 0.32385402 0.50752733 0.29052128 # 48 O16 0.22807342 0.18065731 0.98724502 # 49 O17 0.54215553 0.35073650 0.53556469 # 50 O18 0.46214007 0.18533387 0.97416874 # 51 O19 0.30160089 0.35250630 0.54827365 # 52 O20 0.34568899 0.10254808 0.54714111 # 53 O21 0.41862174 0.43464795 0.97716014 # 54 O22 0.57992032 0.09151702 0.56089338 # 55 O23 0.17945739 0.43590179 0.95718819 # 56 O24 0.32740673 0.25948310 0.79083075 # 57 O25 0.43660220 0.27819101 0.73418144 # 58 O26 0.55454418 0.26922692 0.77187206 # 59 O27 0.21103665 0.26851856 0.74477926 # 60 O28 0.21890586 0.03116553 0.73875644 # 61 O29 0.55098847 0.50132653 0.78350043 # 62 O30 0.43896917 0.02841246 0.73383808 # 63 O31 0.32408088 0.50756826 0.79051857 # 64 O32 0.22777978 0.68059496 0.48801685 # 65 O33 0.53288593 0.85186573 0.03964279 # 66 O34 0.45981082 0.68403127 0.47796880 # 67 O35 0.30085978 0.85246316 0.04835333 # 68 O36 0.34570318 0.60105190 0.04796348 # 69 O37 0.41675553 0.93642382 0.47706984 # 70 O38 0.57888370 0.59992017 0.06497122 # 71 O39 0.17914539 0.93664179 0.45719122 # 72 O40 0.32622243 0.75917738 0.29192197 # 73 O41 0.43373292 0.77672033 0.23526352 # 74 O42 0.54984536 0.76533319 0.28189844 # 75 O43 0.21043686 0.76805842 0.24527228 # 76 O44 0.21913297 0.53098975 0.23945906 # 77 O45 0.54407295 0.00360347 0.28639447 # 78 O46 0.44003253 0.52707628 0.23520335 # 79 O47 0.32337090 0.00835049 0.29045527 # 80 O48 0.22774892 0.68058313 0.98799957 # 81 O49 0.53334660 0.85027325 0.53944286 # 82 O50 0.45977648 0.68447145 0.97717764 # 83 O51 0.30091441 0.85240665 0.54828397 # 84 O52 0.34572528 0.60078240 0.54838544 # 85 O53 0.41663579 0.93625005 0.97700709 # 86 O54 0.58097537 0.59702792 0.56023928 # 87 O55 0.17913831 0.93665796 0.95701037 # 88 O56 0.32630031 0.75927046 0.79190125 # 89 O57 0.43398269 0.77657067 0.73451789 # 90 O58 0.54996657 0.76451055 0.78107847 # 91 O59 0.21046662 0.76812703 0.74523780 # 92 O60 0.21924528 0.53107567 0.73944131 # 93 O61 0.54410986 0.00403048 0.78647209 # 94 O62 0.44153198 0.52766735 0.73610208 # 95 O63 0.32337842 0.00841704 0.79047233 # 96 O64 0.67674140 0.39442158 0.19569460 # 97 O65 0.69608950 0.41409964 0.63095109 # 98 O66 0.76332460 0.42802194 0.65392937 # 99 Si 0.80613829 0.35001667 0.23984675 # 100 N 0.78484282 0.34239828 0.82440641 # 101 C1 0.83161517 0.35900951 0.57099080 # 102 C2 0.78334095 0.60698926 0.62025412 # 103 C3 0.84268139 0.46403903 0.21143837 # 104 C4 0.83117299 0.22464851 0.29091758 # 105 C5 0.76373876 0.24818056 0.83181958 # 106 H1 0.83124115 0.32354255 0.83186750 # 107 H2 0.77171376 0.38482417 0.91115490 # 108 H3 0.83682429 0.25384582 0.59050326 # 109 H4 0.84305643 0.39125042 0.46706084 # 110 H5 0.86640319 0.39578902 0.62912965 # 111 H6 0.77399610 0.65266422 0.70837408 # 112 H7 0.82915656 0.62432928 0.59353211 # 113 H8 0.75738686 0.65746197 0.53693958 # 114 H9 0.88445121 0.44163397 0.16912204 # 115 H10 0.82073052 0.53935255 0.14176924 # 116 H11 0.84865418 0.50008349 0.30664673 # 117 H12 0.83370869 0.21793284 0.39970272 # 118 H13 0.80319593 0.14658324 0.26896914 # 119 H14 0.87442695 0.21371083 0.24979314 # 120 H15 0.77377018 0.34937608 0.17540786 # 121 H16 0.69915901 0.38724602 0.27640508 # 122 H17