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 0.16873823 0.11485220 0.35548374 # 1 Zr1 0.58380521 0.42418457 0.14164080 # 2 Zr2 0.38471785 0.12372566 0.35961815 # 3 Zr3 0.36347395 0.41436269 0.13700260 # 4 Zr4 0.27306692 0.16634140 0.14221255 # 5 Zr5 0.47664547 0.37188214 0.35563768 # 6 Zr6 0.50186176 0.16426248 0.13685521 # 7 Zr7 0.24698877 0.37257322 0.35829257 # 8 Zr8 0.16866093 0.11498167 0.85508708 # 9 Zr9 0.58373150 0.42352457 0.63887650 # 10 Zr10 0.38493811 0.12414154 0.86013095 # 11 Zr11 0.36357151 0.41438510 0.63741767 # 12 Zr12 0.27321269 0.16632195 0.64235847 # 13 Zr13 0.47743320 0.37216872 0.85602837 # 14 Zr14 0.50140672 0.16486337 0.63688110 # 15 Zr15 0.24702618 0.37259366 0.85822090 # 16 Zr16 0.16864503 0.61412237 0.35610916 # 17 Zr17 0.57861275 0.91913014 0.14416434 # 18 Zr18 0.38425976 0.62211969 0.36140654 # 19 Zr19 0.36259102 0.91556474 0.13754204 # 20 Zr20 0.27299861 0.66615431 0.14266512 # 21 Zr21 0.47397345 0.87141773 0.35693660 # 22 Zr22 0.49972809 0.66191185 0.14230547 # 23 Zr23 0.24645937 0.87252104 0.35836042 # 24 Zr24 0.16865078 0.61411948 0.85583805 # 25 Zr25 0.57849744 0.92048453 0.64371851 # 26 Zr26 0.38448722 0.62213734 0.86151364 # 27 Zr27 0.36257394 0.91560108 0.63776393 # 28 Zr28 0.27311757 0.66616802 0.64287907 # 29 Zr29 0.47403161 0.87165877 0.85658001 # 30 Zr30 0.50002907 0.66161926 0.64227473 # 31 Zr31 0.24648565 0.87262026 0.85831141 # 32 Zr32 0.22081057 0.18148811 0.47355566 # 33 O1 0.53099762 0.34724305 0.02024582 # 34 O2 0.45300902 0.18507488 0.46231396 # 35 O3 0.29403149 0.35318971 0.03428037 # 36 O4 0.33817143 0.10340052 0.03419969 # 37 O5 0.41020651 0.43615284 0.46469145 # 38 O6 0.57389314 0.09267808 0.05038410 # 39 O7 0.17216303 0.43668567 0.44420590 # 40 O8 0.31935370 0.26033484 0.27760016 # 41 O9 0.42745363 0.27773923 0.22014122 # 42 O10 0.54227664 0.26841888 0.26274130 # 43 O11 0.20348293 0.26939444 0.23115457 # 44 O12 0.21143623 0.03196698 0.22553488 # 45 O13 0.53865356 0.50661895 0.27647195 # 46 O14 0.43149098 0.02854808 0.22107049 # 47 O15 0.31611351 0.50841972 0.27716560 # 48 O16 0.22064607 0.18158147 0.97347804 # 49 O17 0.52994679 0.34748801 0.51976441 # 50 O18 0.45373588 0.18492500 0.96219879 # 51 O19 0.29414629 0.35310337 0.53454578 # 52 O20 0.33795862 0.10300801 0.53393533 # 53 O21 0.41063265 0.43614902 0.96471832 # 54 O22 0.57223744 0.09259747 0.54789713 # 55 O23 0.17220313 0.43684344 0.94413542 # 56 O24 0.31955201 0.26037948 0.77782286 # 57 O25 0.42770001 0.27819959 0.72080189 # 58 O26 0.54286685 0.26848493 0.76231609 # 59 O27 0.20359805 0.26948813 0.73102079 # 60 O28 0.21147509 0.03198313 0.72534762 # 61 O29 0.53954749 0.50660399 0.77624797 # 62 O30 0.43138967 0.02894595 0.72108293 # 63 O31 0.31632762 0.50850198 0.77734691 # 64 O32 0.22038911 0.68160474 0.47426141 # 65 O33 0.52489924 0.85458241 0.02794681 # 66 O34 0.45166177 0.68614790 0.46479923 # 67 O35 0.29354112 0.85322273 0.03457540 # 68 O36 0.33778094 0.60187303 0.03438801 # 69 O37 0.40912843 0.93698110 0.46457289 # 70 O38 0.56962805 0.60298596 0.04997633 # 71 O39 0.17180898 0.93747052 0.44401966 # 72 O40 0.31873325 0.76008297 0.27817837 # 73 O41 0.42633019 0.77792643 0.22230774 # 74 O42 0.54255391 0.76657179 0.26997472 # 75 O43 0.20295686 0.76894114 0.23158223 # 76 O44 0.21159445 0.53175142 0.22591929 # 77 O45 0.53672915 0.00454283 0.27360674 # 78 O46 0.43178090 0.52840537 0.22170465 # 79 O47 0.31579167 0.00894280 0.27704173 # 80 O48 0.22022280 0.68176139 0.97431587 # 81 O49 0.52532550 0.85338028 0.52764078 # 82 O50 0.45193774 0.68627823 0.96464488 # 83 O51 0.29363663 0.85304427 0.53456490 # 84 O52 0.33780367 0.60179034 0.53465048 # 85 O53 0.40912497 0.93708870 0.96445571 # 86 O54 0.56850200 0.60107533 0.54694705 # 87 O55 0.17172760 0.93772544 0.94374401 # 88 O56 0.31881999 0.76011798 0.77844725 # 89 O57 0.42637858 0.77805348 0.72230526 # 90 O58 0.54266492 0.76702335 0.76947021 # 91 O59 0.20310145 0.76893394 0.73150197 # 92 O60 0.21175316 0.53173721 0.72598020 # 93 O61 0.53671142 0.00520700 0.77353703 # 94 O62 0.43227659 0.52846837 0.72199123 # 95 O63 0.31582517 0.00916330 0.77723498 # 96 O64 0.66875170 0.39664432 0.15928854 # 97 O65 0.66933817 0.39747415 0.63494121 # 98 O66 0.85793697 0.40840601 0.61024657 # 99 Si 0.84622052 0.37828849 0.44925380 # 100 N 0.81175312 0.30053366 0.72920492 # 101 C1 0.93506474 0.37944527 0.66321457 # 102 C2 0.83980084 0.58108897 0.61474416 # 103 C3 0.86442057 0.46741511 0.33417685 # 104 C4 0.83772176 0.25001375 0.41971282 # 105 C5 0.76598292 0.31617979 0.70832104 # 106 H1 0.82141216 0.19831002 0.73166654 # 107 H2 0.81951941 0.32178427 0.82952215 # 108 H3 0.94634130 0.27771543 0.66769958 # 109 H4 0.96502913 0.43607391 0.59453103 # 110 H5 0.94240241 0.40432329 0.76225965 # 111 H6 0.84050447 0.59868602 0.71779246 # 112 H7 0.86980959 0.64887013 0.55832339 # 113 H8 0.79655942 0.60334867 0.57614445 # 114 H9 0.90592693 0.43995152 0.29426463 # 115 H10 0.83276034 0.47176715 0.25353733 # 116 H11 0.86892737 0.56466221 0.35785533 # 117 H12 0.82242475 0.18523495 0.50728136 # 118 H13 0.80544289 0.25050072 0.34091548 # 119 H14 0.87741585 0.20851506 0.38493806 # 120 H15 0.69316360 0.32954488 0.13680727 # 121 H16 0.69258249 0.40387979 0.55584916 # 122 H17