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 0.17527544 0.11413045 0.36738719 # 1 Zr1 0.59065069 0.42028053 0.15571995 # 2 Zr2 0.39172426 0.12321977 0.37188227 # 3 Zr3 0.37036740 0.41364984 0.14791893 # 4 Zr4 0.27970464 0.16553361 0.15424757 # 5 Zr5 0.48405331 0.37100335 0.36959369 # 6 Zr6 0.50865804 0.16433445 0.15007953 # 7 Zr7 0.25349573 0.37191200 0.37013464 # 8 Zr8 0.17525112 0.11410405 0.86710646 # 9 Zr9 0.59903804 0.42526014 0.64737080 # 10 Zr10 0.39215959 0.12382371 0.87214044 # 11 Zr11 0.37011893 0.41359407 0.64884748 # 12 Zr12 0.27979474 0.16541572 0.65434715 # 13 Zr13 0.48524791 0.37187081 0.86556754 # 14 Zr14 0.50954960 0.16560490 0.64929077 # 15 Zr15 0.25337468 0.37191509 0.87028841 # 16 Zr16 0.17519791 0.61350492 0.36802557 # 17 Zr17 0.58467829 0.91898764 0.15505453 # 18 Zr18 0.39123478 0.62108907 0.37285668 # 19 Zr19 0.36922658 0.91481455 0.14893202 # 20 Zr20 0.27969088 0.66534018 0.15476287 # 21 Zr21 0.48044527 0.86972203 0.36788725 # 22 Zr22 0.50761122 0.65980030 0.15192909 # 23 Zr23 0.25298228 0.87190637 0.37026863 # 24 Zr24 0.17522551 0.61364664 0.86781279 # 25 Zr25 0.58481129 0.91927540 0.65444716 # 26 Zr26 0.39150994 0.62103740 0.87300926 # 27 Zr27 0.36925830 0.91480882 0.64935644 # 28 Zr28 0.27975299 0.66552740 0.65475528 # 29 Zr29 0.48036656 0.87007073 0.86717449 # 30 Zr30 0.50864340 0.65773663 0.65109007 # 31 Zr31 0.25306150 0.87195570 0.87016821 # 32 Zr32 0.22726004 0.18070415 0.48573935 # 33 O1 0.53828654 0.34962472 0.03085156 # 34 O2 0.46100260 0.18613626 0.47513485 # 35 O3 0.30053827 0.35263928 0.04643237 # 36 O4 0.34503953 0.10285429 0.04588404 # 37 O5 0.41722348 0.43476780 0.47664770 # 38 O6 0.57996961 0.09311069 0.06155622 # 39 O7 0.17855272 0.43588635 0.45554052 # 40 O8 0.32631579 0.25944321 0.28939308 # 41 O9 0.43502838 0.27770654 0.23274198 # 42 O10 0.55070763 0.26701748 0.27601481 # 43 O11 0.21008814 0.26860462 0.24325276 # 44 O12 0.21800487 0.03131313 0.23723592 # 45 O13 0.54589502 0.50363357 0.28610990 # 46 O14 0.43803551 0.02840278 0.23203274 # 47 O15 0.32306038 0.50757380 0.28892172 # 48 O16 0.22722667 0.18065100 0.98562322 # 49 O17 0.54090950 0.35143579 0.53266663 # 50 O18 0.46170652 0.18629380 0.97300522 # 51 O19 0.30061240 0.35258208 0.54676592 # 52 O20 0.34478333 0.10249709 0.54564423 # 53 O21 0.41797651 0.43480406 0.97566545 # 54 O22 0.57937541 0.09187274 0.55962768 # 55 O23 0.17848804 0.43589408 0.95537000 # 56 O24 0.32656298 0.25950808 0.78945476 # 57 O25 0.43564862 0.27840078 0.73237245 # 58 O26 0.55334775 0.26898868 0.77159788 # 59 O27 0.21018059 0.26857257 0.74320555 # 60 O28 0.21803257 0.03127187 0.73709419 # 61 O29 0.54895655 0.50212481 0.78156611 # 62 O30 0.43808805 0.02868536 0.73227755 # 63 O31 0.32323078 0.50768183 0.78915181 # 64 O32 0.22691423 0.68061929 0.48641258 # 65 O33 0.53230809 0.85153976 0.03749038 # 66 O34 0.45905598 0.68388232 0.47640312 # 67 O35 0.29996718 0.85259054 0.04689164 # 68 O36 0.34488956 0.60104537 0.04654818 # 69 O37 0.41573316 0.93626325 0.47528289 # 70 O38 0.57952870 0.59745474 0.06282407 # 71 O39 0.17819232 0.93666118 0.45534952 # 72 O40 0.32550577 0.75929569 0.29040265 # 73 O41 0.43325248 0.77642650 0.23293935 # 74 O42 0.54914910 0.76498713 0.27949148 # 75 O43 0.20958354 0.76807050 0.24370927 # 76 O44 0.21829222 0.53111452 0.23784617 # 77 O45 0.54270883 0.00355131 0.28491567 # 78 O46 0.43940523 0.52738201 0.23393773 # 79 O47 0.32250020 0.00844600 0.28891188 # 80 O48 0.22688401 0.68060857 0.98641062 # 81 O49 0.53252947 0.85027728 0.53770820 # 82 O50 0.45917083 0.68441033 0.97592927 # 83 O51 0.30001570 0.85252990 0.54682611 # 84 O52 0.34480792 0.60079939 0.54684126 # 85 O53 0.41578658 0.93637451 0.97536416 # 86 O54 0.58023655 0.59783965 0.55700248 # 87 O55 0.17816929 0.93673508 0.95516111 # 88 O56 0.32544455 0.75939523 0.79050718 # 89 O57 0.43318829 0.77641751 0.73287068 # 90 O58 0.54905367 0.76444204 0.77921831 # 91 O59 0.20957535 0.76815834 0.74365349 # 92 O60 0.21840537 0.53117339 0.73785050 # 93 O61 0.54306599 0.00412593 0.78478649 # 94 O62 0.44062983 0.52776635 0.73425840 # 95 O63 0.32253462 0.00858937 0.78907999 # 96 O64 0.68391650 0.38329547 0.19619436 # 97 O65 0.70044285 0.41439997 0.62184777 # 98 O66 0.77387797 0.42689799 0.64978251 # 99 Si 0.80605370 0.35590792 0.26561962 # 100 N 0.78645556 0.33271906 0.82047017 # 101 C1 0.84428530 0.36205127 0.57688182 # 102 C2 0.78892156 0.60770909 0.61841199 # 103 C3 0.84494322 0.46310097 0.22950556 # 104 C4 0.83192900 0.23078015 0.30876613 # 105 C5 0.75912830 0.24838290 0.82291342 # 106 H1 0.83068766 0.29933162 0.82929843 # 107 H2 0.77611350 0.37835375 0.90568793 # 108 H3 0.85089048 0.25798788 0.59544547 # 109 H4 0.86138655 0.39554725 0.47879610 # 110 H5 0.87482435 0.39883095 0.64442065 # 111 H6 0.78154071 0.64821306 0.70918486 # 112 H7 0.83362478 0.62584292 0.58706668 # 113 H8 0.76104550 0.65893262 0.54046231 # 114 H9 0.88716585 0.43609703 0.19273584 # 115 H10 0.82454166 0.53444937 0.15500308 # 116 H11 0.85471098 0.51590018 0.31241831 # 117 H12 0.83515014 0.20528871 0.41741542 # 118 H13 0.80416580 0.15721167 0.27935361 # 119 H14 0.87606533 0.22029829 0.27174970 # 120 H15 0.73970568 0.36124111 0.17413914 # 121 H16 0.69990847 0.38638797 0.28688311 # 122 H17