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 0.18043917 0.11356062 0.37692408 # 1 Zr1 0.59678932 0.42255892 0.16410489 # 2 Zr2 0.39637456 0.12237601 0.38041207 # 3 Zr3 0.37510161 0.41305150 0.15805518 # 4 Zr4 0.28475810 0.16495652 0.16361207 # 5 Zr5 0.48835487 0.37042240 0.37614591 # 6 Zr6 0.51369432 0.16300404 0.15695896 # 7 Zr7 0.25867775 0.37127782 0.37961900 # 8 Zr8 0.18044704 0.11348633 0.87674090 # 9 Zr9 0.59477898 0.42302876 0.66060852 # 10 Zr10 0.39649561 0.12270845 0.88088946 # 11 Zr11 0.37527453 0.41319824 0.65835868 # 12 Zr12 0.28488501 0.16505550 0.66363393 # 13 Zr13 0.48896744 0.37051209 0.87757630 # 14 Zr14 0.51304071 0.16316002 0.65736774 # 15 Zr15 0.25864223 0.37125698 0.87948174 # 16 Zr16 0.18035316 0.61293335 0.37744895 # 17 Zr17 0.59025379 0.91768450 0.16418694 # 18 Zr18 0.39593142 0.62081332 0.38208248 # 19 Zr19 0.37429977 0.91428530 0.15837003 # 20 Zr20 0.28472764 0.66478412 0.16412280 # 21 Zr21 0.48562111 0.87005298 0.37679942 # 22 Zr22 0.51164584 0.65986120 0.16225148 # 23 Zr23 0.25821666 0.87127372 0.37952370 # 24 Zr24 0.18038017 0.61298382 0.87733486 # 25 Zr25 0.59015754 0.91870799 0.66371265 # 26 Zr26 0.39601796 0.62067255 0.88227739 # 27 Zr27 0.37427485 0.91442481 0.65842528 # 28 Zr28 0.28479105 0.66480933 0.66408993 # 29 Zr29 0.48570567 0.87016563 0.87701361 # 30 Zr30 0.51132690 0.66063561 0.66257745 # 31 Zr31 0.25827603 0.87127270 0.87949702 # 32 Zr32 0.23242100 0.18008925 0.49525057 # 33 O1 0.54288697 0.34569833 0.04110170 # 34 O2 0.46472741 0.18349802 0.48268709 # 35 O3 0.30540985 0.35209700 0.05603069 # 36 O4 0.34992115 0.10228139 0.05551167 # 37 O5 0.42175592 0.43469183 0.48510513 # 38 O6 0.58469636 0.09032527 0.06908262 # 39 O7 0.18364050 0.43530727 0.46507765 # 40 O8 0.33092245 0.25898653 0.29917149 # 41 O9 0.43897887 0.27644752 0.24076627 # 42 O10 0.55401121 0.26682131 0.28327939 # 43 O11 0.21504030 0.26806368 0.25273652 # 44 O12 0.22310236 0.03068103 0.24677957 # 45 O13 0.55048570 0.50501338 0.29745116 # 46 O14 0.44323486 0.02727329 0.24145904 # 47 O15 0.32785948 0.50712756 0.29848604 # 48 O16 0.23241631 0.17998691 0.99511775 # 49 O17 0.54183420 0.34522767 0.53994661 # 50 O18 0.46529265 0.18342476 0.98277721 # 51 O19 0.30557747 0.35208979 0.55607692 # 52 O20 0.34974944 0.10197047 0.55527147 # 53 O21 0.42184769 0.43443010 0.98523189 # 54 O22 0.58411656 0.09118052 0.56879762 # 55 O23 0.18360512 0.43529368 0.96488101 # 56 O24 0.33106568 0.25905357 0.79921353 # 57 O25 0.43917976 0.27671318 0.74142403 # 58 O26 0.55412130 0.26735109 0.78267256 # 59 O27 0.21510942 0.26805347 0.75262643 # 60 O28 0.22319798 0.03068171 0.74667284 # 61 O29 0.55066576 0.50538742 0.79681025 # 62 O30 0.44305916 0.02752142 0.74149600 # 63 O31 0.32793935 0.50715941 0.79858831 # 64 O32 0.23211243 0.68002149 0.49578117 # 65 O33 0.53685129 0.85206876 0.04774363 # 66 O34 0.46335052 0.68492874 0.48481809 # 67 O35 0.30506599 0.85207639 0.05616705 # 68 O36 0.34973514 0.60090447 0.05600200 # 69 O37 0.42066335 0.93548763 0.48485551 # 70 O38 0.58159593 0.60093945 0.07079912 # 71 O39 0.18337686 0.93603064 0.46493851 # 72 O40 0.33031237 0.75883595 0.29980243 # 73 O41 0.43784502 0.77647963 0.24233898 # 74 O42 0.55402229 0.76523319 0.28986005 # 75 O43 0.21460886 0.76765780 0.25312675 # 76 O44 0.22332073 0.53049622 0.24726983 # 77 O45 0.54860471 0.00317437 0.29395609 # 78 O46 0.44357062 0.52703874 0.24218894 # 79 O47 0.32750862 0.00760673 0.29823874 # 80 O48 0.23216589 0.68000663 0.99567238 # 81 O49 0.53691413 0.85215450 0.54757646 # 82 O50 0.46384707 0.68426217 0.98439294 # 83 O51 0.30508630 0.85199968 0.55619269 # 84 O52 0.34970555 0.60087462 0.55606794 # 85 O53 0.42066507 0.93542486 0.98475420 # 86 O54 0.58015354 0.60010527 0.56802842 # 87 O55 0.18338021 0.93602177 0.96481249 # 88 O56 0.33038237 0.75886435 0.79978312 # 89 O57 0.43792152 0.77670177 0.74253129 # 90 O58 0.55431573 0.76556185 0.78958107 # 91 O59 0.21462096 0.76769397 0.75301764 # 92 O60 0.22338481 0.53052283 0.74720709 # 93 O61 0.54838494 0.00348058 0.79384661 # 94 O62 0.44373492 0.52711834 0.74256950 # 95 O63 0.32758791 0.00780389 0.79842613 # 96 O64 0.67982512 0.39731631 0.17883727 # 97 O65 0.68025578 0.40026506 0.66489831 # 98 O66 0.74816052 0.43226263 0.66510341 # 99 Si 0.80113922 0.33824251 0.16889349 # 100 N 0.77724593 0.37483162 0.83606675 # 101 C1 0.78676897 0.34938915 0.54156355 # 102 C2 0.76090584 0.61068088 0.62397592 # 103 C3 0.83444126 0.45556048 0.16289474 # 104 C4 0.83173531 0.22465432 0.23202729 # 105 C5 0.77468493 0.26968129 0.85999777 # 106 H1 0.82184370 0.40415960 0.84689379 # 107 H2 0.75054990 0.41557844 0.90748449 # 108 H3 0.78125963 0.24486073 0.56604845 # 109 H4 0.76950205 0.37946091 0.44151219 # 110 H5 0.83285768 0.37013174 0.53974269 # 111 H6 0.74241586 0.65969114 0.70115413 # 112 H7 0.80668177 0.63402332 0.61667618 # 113 H8 0.74062925 0.64976448 0.52921719 # 114 H9 0.87626665 0.45170397 0.11265808 # 115 H10 0.81000491 0.53669611 0.11026324 # 116 H11 0.84266504 0.47432107 0.26381428 # 117 H12 0.83973895 0.23172012 0.33639338 # 118 H13 0.80543140 0.13913265 0.22910806 # 119 H14 0.87343610 0.21073470 0.18470333 # 120 H15 0.79053856 0.32703843 0.07443234 # 121 H16 0.71990862 0.37130990 0.19281846 # 122 H17