data_str_m1_o213_o110_ith-d.ed.out
_audit_creation_date              2014-08-13T22:08:55-0400
_symmetry_space_group_name_H-M    P1
_symmetry_Int_Tables_number       1
_space_group_crystal_system       triclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
_cell_length_a                    69.2980373
_cell_length_b                    69.3054818
_cell_length_c                    69.3012539
_cell_angle_alpha                 89.6493872
_cell_angle_beta                  92.9192674
_cell_angle_gamma                 90.4335573
_cell_volume                      332388.558646

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_description
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_type_partial_charge
Zn1   Zn    Zn3+2 0.519063 0.484250 0.504117 0.573619
Zn2   Zn    Zn3+2 0.519188 0.529575 0.503904 0.573772
Zn3   Zn    Zn3+2 0.486018 0.506798 0.480308 0.574062
Zn4   Zn    Zn3+2 0.486927 0.506733 0.525655 0.573264
O1    O     O_3   0.502804 0.506836 0.503496 -0.274322
O2    O     O_R   0.546332 0.490346 0.504683 -0.310561
O3    O     O_R   0.514421 0.545874 0.481647 -0.313243
O4    O     O_R   0.489862 0.484658 0.464323 -0.312570
O5    O     O_R   0.546417 0.523748 0.504548 -0.310421
O6    O     O_R   0.514212 0.467975 0.482006 -0.313283
O7    O     O_R   0.490013 0.528974 0.464098 -0.312728
O8    O     O_R   0.458880 0.506681 0.485408 -0.310252
O9    O     O_R   0.491407 0.484571 0.542105 -0.313265
O10   O     O_R   0.459555 0.506635 0.518833 -0.310807
O11   O     O_R   0.515364 0.468082 0.526332 -0.312592
O12   O     O_R   0.515557 0.545656 0.525983 -0.312448
O13   O     O_R   0.491544 0.528871 0.541921 -0.313354
C1    C     C_R   0.449741 0.506648 0.501840 0.199160
C2    C     C_R   0.503674 0.543595 0.540302 0.198868
C3    C     C_R   0.503490 0.469983 0.540625 0.198862
C4    C     C_R   0.555844 0.507089 0.504657 0.199175
C5    C     C_R   0.501904 0.469953 0.466867 0.198810
C6    C     C_R   0.502112 0.543794 0.466519 0.198761
H1    H     H_    0.984240 0.258454 0.267815 0.096773
C7    C     C_R   0.994902 0.243873 0.243538 -0.018813
C8    C     C_R   0.008720 0.244055 0.229755 -0.075127
H2    H     H_    0.009130 0.232322 0.219608 0.098395
C9    C     C_R   0.022655 0.258537 0.229543 -0.018288
C10   C     C_R   0.022579 0.272989 0.243326 -0.075134
H3    H     H_    0.032874 0.284732 0.242825 0.098290
C11   C     C_R   0.008729 0.273121 0.257088 -0.018759
C12   C     C_R   0.995006 0.258480 0.257098 -0.074805
C13   C     C_R   0.056301 0.264184 0.219451 -0.087420
H4    H     H_    0.060662 0.268319 0.234044 0.091968
C14   C     C_R   0.070059 0.264082 0.205653 -0.084098
H5    H     H_    0.084757 0.268392 0.209560 0.101574
C15   C     C_R   0.065182 0.258413 0.186973 -0.005316
C16   C     C_R   0.046396 0.252841 0.182206 -0.084113
H6    H     H_    0.042402 0.248466 0.167592 0.101606
C17   C     C_R   0.032611 0.252882 0.195970 -0.087457
H7    H     H_    0.017946 0.248794 0.191684 0.091924
C18   C     C_R   0.037403 0.258552 0.214775 -0.009255
C19   C     C_R   0.974438 0.220768 0.261258 -0.088369
H8    H     H_    0.981094 0.225676 0.274804 0.096164
C20   C     C_R   0.960350 0.206556 0.261594 -0.084705
H9    H     H_    0.956011 0.200842 0.275270 0.102232
C21   C     C_R   0.951768 0.199644 0.244603 -0.005451
C22   C     C_R   0.957517 0.206948 0.227222 -0.084307
H10   H     H_    0.950817 0.201664 0.213833 0.101703
C23   C     C_R   0.971649 0.221143 0.226827 -0.088003
H11   H     H_    0.975539 0.226931 0.213032 0.092213
C24   C     C_R   0.980186 0.228294 0.243865 -0.010284
C25   C     C_R   0.991079 0.296121 0.277158 -0.088368
H12   H     H_    0.977531 0.291173 0.270461 0.096191
C26   C     C_R   0.990760 0.310274 0.291106 -0.084710
H13   H     H_    0.977092 0.315896 0.295297 0.102226
C27   C     C_R   0.007749 0.317236 0.299747 -0.005460
C28   C     C_R   0.025120 0.310051 0.294176 -0.084294
H14   H     H_    0.038511 0.315375 0.300917 0.101681
C29   C     C_R   0.025499 0.295911 0.280178 -0.087975
H15   H     H_    0.039278 0.290208 0.276432 0.092263
C30   C     C_R   0.008455 0.288693 0.271606 -0.010271
C31   C     C_1   0.936818 0.185024 0.245076 -0.029137
C32   C     C_1   0.924253 0.172824 0.245610 -0.028892
C33   C     C_1   0.079575 0.258288 0.172562 -0.029010
C34   C     C_1   0.091609 0.258164 0.160469 -0.028789
C35   C     C_1   0.007260 0.331774 0.314579 -0.029129
C36   C     C_1   0.006663 0.343899 0.327042 -0.028887
C37   C     C_R   0.907741 0.143932 0.232621 -0.084672
H16   H     H_    0.917849 0.143558 0.221257 0.102162
C38   C     C_R   0.893375 0.130016 0.233357 -0.084524
H17   H     H_    0.892308 0.118813 0.222564 0.101760
C39   C     C_R   0.880389 0.130354 0.247822 -0.005162
C40   C     C_R   0.881877 0.144723 0.261547 -0.084550
H18   H     H_    0.871775 0.145089 0.272917 0.101921
C41   C     C_R   0.896246 0.158640 0.260811 -0.084681
H19   H     H_    0.897321 0.169835 0.271612 0.102045
C42   C     C_R   0.909234 0.158298 0.246347 -0.005468
C43   C     C_R   0.019620 0.372777 0.343543 -0.084665
H20   H     H_    0.031163 0.373276 0.333629 0.102163
C44   C     C_R   0.018739 0.386621 0.357766 -0.084518
H21   H     H_    0.029600 0.397888 0.358914 0.101765
C45   C     C_R   0.004040 0.386138 0.370499 -0.005183
C46   C     C_R   0.990230 0.371686 0.368903 -0.084553
H22   H     H_    0.978673 0.371202 0.378801 0.101931
C47   C     C_R   0.991110 0.357841 0.354677 -0.084679
H23   H     H_    0.980234 0.346590 0.353512 0.102016
C48   C     C_R   0.005805 0.358332 0.341937 -0.005477
C49   C     C_R   0.104895 0.244494 0.131415 -0.084600
H24   H     H_    0.093282 0.233982 0.130795 0.101990
C50   C     C_R   0.118614 0.244348 0.117577 -0.084478
H25   H     H_    0.117657 0.233722 0.106209 0.101818
C51   C     C_R   0.133523 0.257712 0.118209 -0.005194
C52   C     C_R   0.134587 0.271220 0.132810 -0.084478
H26   H     H_    0.146198 0.281736 0.133426 0.101736
C53   C     C_R   0.120869 0.271366 0.146648 -0.084604
H27   H     H_    0.121823 0.281995 0.158013 0.101982
C54   C     C_R   0.105958 0.258004 0.146015 -0.005452
C55   C     C_1   0.865414 0.115784 0.248568 -0.027811
C56   C     C_1   0.852926 0.103502 0.249068 -0.026523
C57   C     C_1   0.147862 0.257574 0.103744 -0.027783
C58   C     C_1   0.159888 0.257489 0.091643 -0.026500
C59   C     C_1   0.003128 0.400653 0.385308 -0.027816
C60   C     C_1   0.002498 0.412904 0.397645 -0.026531
C61   C     C_R   0.823134 0.090172 0.261723 -0.090850
H28   H     H_    0.822454 0.102461 0.271187 0.102650
C62   C     C_R   0.808939 0.076017 0.261952 -0.085772
H29   H     H_    0.797349 0.077551 0.271672 0.121625
C63   C     C_R   0.809595 0.060204 0.249863 0.022215
C64   C     C_R   0.824715 0.058823 0.237611 -0.085348
H30   H     H_    0.825705 0.046714 0.227979 0.122627
C65   C     C_R   0.838853 0.072991 0.237435 -0.091048
H31   H     H_    0.850544 0.071752 0.227781 0.102382
C66   C     C_R   0.838128 0.088722 0.249452 -0.006646
C67   C     C_R   0.190039 0.269706 0.078895 -0.090889
H32   H     H_    0.191630 0.279384 0.091054 0.102380
C68   C     C_R   0.203821 0.269721 0.065125 -0.085515
H33   H     H_    0.215984 0.279510 0.066859 0.122117
C69   C     C_R   0.202016 0.257416 0.049429 0.022035
C70   C     C_R   0.186156 0.245114 0.047818 -0.085606
H34   H     H_    0.184276 0.235331 0.035779 0.121936
C71   C     C_R   0.172406 0.245150 0.061631 -0.090829
H35   H     H_    0.160107 0.235487 0.060191 0.102517
C72   C     C_R   0.174274 0.257438 0.077224 -0.006644
C73   C     C_R   0.989664 0.426011 0.427219 -0.090828
H36   H     H_    0.980240 0.413565 0.428032 0.102668
C74   C     C_R   0.989341 0.440154 0.441230 -0.085823
H37   H     H_    0.979596 0.438451 0.452815 0.121513
C75   C     C_R   0.001387 0.456163 0.440412 0.022147
C76   C     C_R   0.013680 0.457753 0.425308 -0.085321
H38   H     H_    0.023286 0.470014 0.424189 0.122692
C77   C     C_R   0.013949 0.443601 0.411358 -0.091054
H39   H     H_    0.023644 0.445009 0.399687 0.102387
C78   C     C_R   0.001987 0.427669 0.412247 -0.006663
H40   H     H_    0.030719 0.733008 0.240631 0.097881
C79   C     C_R   0.020012 0.758938 0.227185 -0.018337
C80   C     C_R   0.005844 0.773093 0.227048 -0.074788
H41   H     H_    0.005823 0.784324 0.216187 0.096369
C81   C     C_R   0.991740 0.773136 0.240603 -0.018825
C82   C     C_R   0.991797 0.758775 0.254550 -0.076166
H42   H     H_    0.981686 0.759291 0.265885 0.097929
C83   C     C_R   0.006469 0.743755 0.254913 -0.017287
C84   C     C_R   0.020237 0.744418 0.241119 -0.075346
C85   C     C_R   0.958045 0.783843 0.244814 -0.088195
H43   H     H_    0.953855 0.769087 0.247641 0.092310
C86   C     C_R   0.944199 0.798060 0.245297 -0.084481
H44   H     H_    0.929604 0.794296 0.248755 0.101733
C87   C     C_R   0.948885 0.817019 0.241470 -0.005450
C88   C     C_R   0.967542 0.821633 0.236955 -0.084454
H45   H     H_    0.971372 0.836471 0.234014 0.102330
C89   C     C_R   0.981441 0.807423 0.236409 -0.088015
H46   H     H_    0.996044 0.811524 0.233332 0.096067
C90   C     C_R   0.976858 0.788367 0.240458 -0.010171
C91   C     C_R   0.053751 0.754305 0.217323 -0.088199
H47   H     H_    0.058184 0.750802 0.232095 0.092347
C92   C     C_R   0.067486 0.754299 0.203510 -0.084397
H48   H     H_    0.082248 0.750538 0.207595 0.101699
C93   C     C_R   0.062491 0.759086 0.184569 -0.005479
C94   C     C_R   0.043615 0.763963 0.179570 -0.084519
H49   H     H_    0.039529 0.767646 0.164751 0.102312
C95   C     C_R   0.029842 0.764028 0.193358 -0.088162
H50   H     H_    0.015098 0.767485 0.188911 0.096200
C96   C     C_R   0.034748 0.759155 0.212407 -0.010378
C97   C     C_R   0.023504 0.720793 0.277713 -0.087340
H51   H     H_    0.037277 0.726338 0.273466 0.091402
C98   C     C_R   0.023252 0.706598 0.291836 -0.084031
H52   H     H_    0.036708 0.701078 0.298134 0.101846
C99   C     C_R   0.005940 0.699589 0.298079 -0.005343
C100  C     C_R   0.988867 0.706824 0.290034 -0.084283
H53   H     H_    0.975239 0.701356 0.294778 0.101732
C101  C     C_R   0.989057 0.721035 0.275959 -0.087033
H54   H     H_    0.975437 0.726195 0.269731 0.092120
C102  C     C_R   0.006381 0.728219 0.269663 -0.008517
C103  C     C_1   0.076865 0.758912 0.170139 -0.029057
C104  C     C_1   0.088939 0.758721 0.158087 -0.028820
C105  C     C_1   0.934397 0.831836 0.242402 -0.029069
C106  C     C_1   0.922137 0.844116 0.243316 -0.028836
C107  C     C_1   0.005625 0.684937 0.312984 -0.029005
C108  C     C_1   0.005214 0.672703 0.325508 -0.028791
C109  C     C_R   0.103086 0.772059 0.129062 -0.084628
H55   H     H_    0.091994 0.782958 0.128303 0.102162
C110  C     C_R   0.116917 0.771809 0.115339 -0.084471
H56   H     H_    0.116568 0.782514 0.103921 0.101850
C111  C     C_R   0.131172 0.757956 0.116153 -0.005195
C112  C     C_R   0.131465 0.744352 0.130818 -0.084487
H57   H     H_    0.142560 0.733456 0.131579 0.101859
C113  C     C_R   0.117634 0.744603 0.144541 -0.084615
H58   H     H_    0.117987 0.733901 0.155963 0.102151
C114  C     C_R   0.103381 0.758458 0.143728 -0.005512
C115  C     C_R   0.990617 0.658765 0.353955 -0.084635
H59   H     H_    0.980100 0.670219 0.353306 0.102178
C116  C     C_R   0.989991 0.644803 0.368267 -0.084512
H60   H     H_    0.978992 0.645394 0.378756 0.101950
C117  C     C_R   0.003353 0.630102 0.369208 -0.005130
C118  C     C_R   0.017346 0.629477 0.355733 -0.084492
H61   H     H_    0.027853 0.618014 0.356372 0.101794
C119  C     C_R   0.017973 0.643439 0.341422 -0.084644
H62   H     H_    0.028964 0.642840 0.330925 0.102234
C120  C     C_R   0.004608 0.658137 0.340476 -0.005442
C121  C     C_R   0.906561 0.873918 0.231576 -0.084656
H63   H     H_    0.916987 0.875009 0.220532 0.102221
C122  C     C_R   0.892413 0.887793 0.232687 -0.084481
H64   H     H_    0.891841 0.899678 0.222506 0.101751
C123  C     C_R   0.878999 0.886533 0.246727 -0.005153
C124  C     C_R   0.879855 0.871286 0.259659 -0.084520
H65   H     H_    0.869413 0.870183 0.270688 0.101965
C125  C     C_R   0.894004 0.857409 0.258547 -0.084637
H66   H     H_    0.894560 0.845510 0.268712 0.102175
C126  C     C_R   0.907412 0.858665 0.244501 -0.005484
C127  C     C_1   0.145631 0.757709 0.101811 -0.027748
C128  C     C_1   0.157726 0.757538 0.089779 -0.026467
C129  C     C_1   0.864212 0.901032 0.247818 -0.027759
C130  C     C_1   0.851888 0.913267 0.248569 -0.026473
C131  C     C_1   0.002711 0.615491 0.384129 -0.027759
C132  C     C_1   0.002270 0.603188 0.396584 -0.026475
C133  C     C_R   0.187679 0.745075 0.077249 -0.090816
H67   H     H_    0.189095 0.735447 0.089560 0.102515
C134  C     C_R   0.201478 0.744964 0.063485 -0.085634
H68   H     H_    0.213483 0.735159 0.065364 0.121825
C135  C     C_R   0.199897 0.757224 0.047611 0.022017
C136  C     C_R   0.184244 0.769560 0.045806 -0.085480
H69   H     H_    0.182533 0.779318 0.033633 0.122233
C137  C     C_R   0.170489 0.769620 0.059600 -0.090871
H70   H     H_    0.158367 0.779324 0.058009 0.102513
C138  C     C_R   0.172131 0.757398 0.075380 -0.006642
C139  C     C_R   0.822332 0.926306 0.261511 -0.090773
H71   H     H_    0.821517 0.913831 0.270878 0.102690
C140  C     C_R   0.808320 0.940428 0.261898 -0.085818
H72   H     H_    0.796732 0.938680 0.271634 0.121467
C141  C     C_R   0.809133 0.956467 0.249913 0.022159
C142  C     C_R   0.824238 0.958113 0.237626 -0.085269
H73   H     H_    0.825355 0.970397 0.228066 0.122759
C143  C     C_R   0.838187 0.943986 0.237295 -0.091028
H74   H     H_    0.849851 0.945436 0.227597 0.102340
C144  C     C_R   0.837300 0.928019 0.249186 -0.006627
C145  C     C_R   0.013953 0.572706 0.410617 -0.091014
H75   H     H_    0.023608 0.571484 0.398923 0.102407
C146  C     C_R   0.013790 0.558543 0.424741 -0.085362
H76   H     H_    0.023431 0.546453 0.423744 0.122571
C147  C     C_R   0.001535 0.559904 0.439861 0.022217
C148  C     C_R   0.989433 0.575689 0.440532 -0.085731
H77   H     H_    0.979711 0.577209 0.452121 0.121703
C149  C     C_R   0.989650 0.589836 0.426354 -0.090837
H78   H     H_    0.980174 0.602102 0.427045 0.102655
C150  C     C_R   0.001921 0.588408 0.411360 -0.006619
H79   H     H_    0.021833 0.282464 0.742822 0.099048
C151  C     C_R   0.996439 0.271384 0.727881 -0.018607
C152  C     C_R   0.981801 0.257642 0.728131 -0.075078
H80   H     H_    0.970485 0.257630 0.716832 0.096270
C153  C     C_R   0.981567 0.243913 0.742762 -0.018611
C154  C     C_R   0.996158 0.244035 0.757182 -0.075141
H81   H     H_    0.996541 0.232870 0.768126 0.099045
C155  C     C_R   0.010851 0.257669 0.757138 -0.018723
C156  C     C_R   0.010881 0.271289 0.742451 -0.075138
C157  C     C_R   0.958558 0.223432 0.760301 -0.088295
H82   H     H_    0.963432 0.230151 0.773726 0.092037
C158  C     C_R   0.944391 0.209320 0.760647 -0.084484
H83   H     H_    0.938642 0.205012 0.774240 0.101758
C159  C     C_R   0.937562 0.200679 0.743763 -0.005394
C160  C     C_R   0.944898 0.206352 0.726469 -0.084576
H84   H     H_    0.939672 0.199577 0.713182 0.102316
C161  C     C_R   0.959050 0.220507 0.726058 -0.088096
H85   H     H_    0.964883 0.224340 0.712377 0.096168
C162  C     C_R   0.966091 0.229131 0.743004 -0.010115
C163  C     C_R   0.013951 0.291856 0.704850 -0.088294
H86   H     H_    0.027381 0.285160 0.709705 0.092020
C164  C     C_R   0.014281 0.305946 0.690680 -0.084486
H87   H     H_    0.027867 0.310259 0.684909 0.101751
C165  C     C_R   0.997390 0.314556 0.683874 -0.005398
C166  C     C_R   0.980105 0.308877 0.691238 -0.084574
H88   H     H_    0.966813 0.315627 0.686029 0.102343
C167  C     C_R   0.979711 0.294744 0.705392 -0.088092
H89   H     H_    0.966038 0.290905 0.711245 0.096188
C168  C     C_R   0.996664 0.286149 0.712409 -0.010112
C169  C     C_R   0.045278 0.261716 0.768394 -0.087681
H90   H     H_    0.049074 0.264526 0.753706 0.092074
C170  C     C_R   0.059744 0.261688 0.782870 -0.084198
H91   H     H_    0.074492 0.264750 0.779408 0.101662
C171  C     C_R   0.055480 0.257683 0.801697 -0.005137
C172  C     C_R   0.036655 0.253680 0.805986 -0.084195
H92   H     H_    0.033212 0.250616 0.820736 0.101681
C173  C     C_R   0.022156 0.253650 0.791544 -0.087681
H93   H     H_    0.007470 0.250837 0.795360 0.092089
C174  C     C_R   0.026329 0.257681 0.772592 -0.009389
C175  C     C_1   0.997876 0.329469 0.669283 -0.029147
C176  C     C_1   0.998422 0.342001 0.657092 -0.028913
C177  C     C_1   0.922979 0.185739 0.744267 -0.029148
C178  C     C_1   0.910796 0.173184 0.744827 -0.028913
C179  C     C_1   0.070589 0.257677 0.816782 -0.029067
C180  C     C_1   0.083259 0.257670 0.829433 -0.028843
C181  C     C_R   0.985036 0.358013 0.627848 -0.084728
H94   H     H_    0.973336 0.347598 0.627202 0.102204
C182  C     C_R   0.985800 0.372322 0.613915 -0.084557
H95   H     H_    0.974692 0.373058 0.602412 0.101801
C183  C     C_R   0.000706 0.385672 0.614621 -0.005108
C184  C     C_R   0.014843 0.384632 0.629355 -0.084595
H96   H     H_    0.026554 0.395036 0.629988 0.101935
C185  C     C_R   0.014080 0.370320 0.643289 -0.084709
H97   H     H_    0.025200 0.369569 0.654780 0.102195
C186  C     C_R   0.999177 0.356964 0.642576 -0.005434
C187  C     C_R   0.097580 0.244900 0.859835 -0.084662
H98   H     H_    0.085596 0.234887 0.860512 0.102055
C188  C     C_R   0.112063 0.244891 0.874299 -0.084524
H99   H     H_    0.111381 0.234869 0.886261 0.101781
C189  C     C_R   0.127405 0.257641 0.873520 -0.004991
C190  C     C_R   0.128191 0.270401 0.858206 -0.084522
H100  H     H_    0.140174 0.280416 0.857529 0.101763
C191  C     C_R   0.113708 0.270411 0.843741 -0.084659
H101  H     H_    0.114391 0.280432 0.831778 0.102054
C192  C     C_R   0.098366 0.257660 0.844520 -0.005291
C193  C     C_R   0.881569 0.157074 0.731449 -0.084725
H102  H     H_    0.880924 0.167454 0.719734 0.102203
C194  C     C_R   0.867646 0.142738 0.732224 -0.084554
H103  H     H_    0.856149 0.141945 0.721110 0.101799
C195  C     C_R   0.868352 0.129431 0.747147 -0.005106
C196  C     C_R   0.883076 0.130542 0.761292 -0.084597
H104  H     H_    0.883709 0.120173 0.773017 0.101936
C197  C     C_R   0.897001 0.144882 0.760517 -0.084711
H105  H     H_    0.908486 0.145688 0.771643 0.102182
C198  C     C_R   0.896288 0.158193 0.745596 -0.005431
C199  C     C_1   0.001486 0.400565 0.600035 -0.027831
C200  C     C_1   0.002012 0.412981 0.587725 -0.026540
C201  C     C_1   0.853774 0.114511 0.747937 -0.027829
C202  C     C_1   0.841466 0.102075 0.748462 -0.026538
C203  C     C_1   0.142511 0.257633 0.888607 -0.027778
C204  C     C_1   0.155181 0.257628 0.901259 -0.026481
C205  C     C_R   0.014900 0.443230 0.574884 -0.090942
H106  H     H_    0.024504 0.444413 0.587615 0.102659
C206  C     C_R   0.015150 0.457340 0.560687 -0.085765
H107  H     H_    0.025030 0.469387 0.562624 0.121814
C207  C     C_R   0.002870 0.456017 0.544325 0.022368
C208  C     C_R   0.990412 0.440334 0.542422 -0.085360
H108  H     H_    0.980631 0.438830 0.529868 0.122779
C209  C     C_R   0.990218 0.426284 0.556636 -0.091123
H109  H     H_    0.980405 0.414139 0.555009 0.102404
C210  C     C_R   0.002421 0.427678 0.572911 -0.006622
C211  C     C_R   0.828606 0.071824 0.761332 -0.090940
H110  H     H_    0.841331 0.070664 0.770944 0.102659
C212  C     C_R   0.814401 0.057699 0.761565 -0.085768
H111  H     H_    0.816325 0.045663 0.771441 0.121795
C213  C     C_R   0.798047 0.058993 0.749276 0.022384
C214  C     C_R   0.796160 0.074661 0.736824 -0.085346
H112  H     H_    0.783613 0.076144 0.727036 0.122798
C215  C     C_R   0.810381 0.088725 0.736647 -0.091123
H113  H     H_    0.808765 0.100859 0.726839 0.102407
C216  C     C_R   0.826648 0.087361 0.748859 -0.006620
C217  C     C_R   0.185935 0.269920 0.915248 -0.091023
H114  H     H_    0.186857 0.279584 0.903023 0.102406
C218  C     C_R   0.200437 0.269951 0.929691 -0.085499
H115  H     H_    0.212519 0.279743 0.928442 0.122329
C219  C     C_R   0.199421 0.257635 0.945433 0.022560
C220  C     C_R   0.183666 0.245312 0.946456 -0.085499
H116  H     H_    0.182422 0.235525 0.958530 0.122371
C221  C     C_R   0.169202 0.245336 0.931974 -0.091018
H117  H     H_    0.156966 0.235670 0.932903 0.102452
C222  C     C_R   0.170290 0.257627 0.916343 -0.006520
H118  H     H_    0.020061 0.733881 0.740682 0.097230
C223  C     C_R   0.008837 0.758112 0.755151 -0.019053
C224  C     C_R   0.994410 0.771819 0.754893 -0.075191
H119  H     H_    0.993959 0.781921 0.766658 0.099113
C225  C     C_R   0.979995 0.772077 0.740290 -0.018401
C226  C     C_R   0.980071 0.758307 0.725843 -0.075368
H120  H     H_    0.969309 0.758857 0.714027 0.097799
C227  C     C_R   0.994517 0.744550 0.725838 -0.018174
C228  C     C_R   0.008800 0.744557 0.740568 -0.074474
C229  C     C_R   0.945783 0.782505 0.734845 -0.087454
H121  H     H_    0.941688 0.767983 0.730686 0.092437
C230  C     C_R   0.931595 0.796412 0.735374 -0.084110
H122  H     H_    0.916760 0.792686 0.731374 0.101707
C231  C     C_R   0.936236 0.814955 0.741193 -0.005232
C232  C     C_R   0.955181 0.819536 0.746346 -0.084260
H123  H     H_    0.958949 0.834055 0.750816 0.101661
C233  C     C_R   0.969377 0.805681 0.745883 -0.087737
H124  H     H_    0.984137 0.809790 0.749737 0.091973
C234  C     C_R   0.964821 0.786977 0.740227 -0.009304
C235  C     C_R   0.030910 0.740737 0.778641 -0.088362
H125  H     H_    0.024801 0.727124 0.773755 0.096247
C236  C     C_R   0.045293 0.740677 0.793204 -0.084649
H126  H     H_    0.050424 0.727134 0.799254 0.102229
C237  C     C_R   0.053099 0.757803 0.800098 -0.005304
C238  C     C_R   0.046396 0.775020 0.792388 -0.084371
H127  H     H_    0.052519 0.788492 0.797671 0.101648
C239  C     C_R   0.031985 0.775140 0.777855 -0.088172
H128  H     H_    0.027282 0.788818 0.771788 0.092061
C240  C     C_R   0.024119 0.757985 0.770807 -0.010303
C241  C     C_R   0.013525 0.724171 0.702975 -0.089729
H129  H     H_    0.026914 0.730908 0.708113 0.095749
C242  C     C_R   0.013932 0.710176 0.688970 -0.085718
H130  H     H_    0.027539 0.705758 0.683508 0.101896
C243  C     C_R   0.995928 0.701469 0.681480 -0.003903
C244  C     C_R   0.978648 0.707592 0.688363 -0.084762
H131  H     H_    0.965269 0.701098 0.682840 0.101395
C245  C     C_R   0.978176 0.721705 0.702445 -0.088235
H132  H     H_    0.964355 0.725609 0.707762 0.091763
C246  C     C_R   0.995031 0.730154 0.710211 -0.008669
C247  C     C_1   0.068186 0.757709 0.815213 -0.029131
C248  C     C_1   0.080855 0.757637 0.827870 -0.028884
C249  C     C_1   0.921454 0.829451 0.742075 -0.029037
C250  C     C_1   0.909209 0.841729 0.742961 -0.028824
C251  C     C_1   0.996282 0.686472 0.667134 -0.028596
C252  C     C_1   0.996863 0.673877 0.655164 -0.028858
C253  C     C_R   0.096913 0.771916 0.856688 -0.084674
H133  H     H_    0.086260 0.783244 0.856147 0.102115
C254  C     C_R   0.111428 0.771857 0.871124 -0.084546
H134  H     H_    0.112095 0.783138 0.881844 0.101876
C255  C     C_R   0.125087 0.757443 0.871896 -0.005047
C256  C     C_R   0.124151 0.743083 0.858158 -0.084556
H135  H     H_    0.134811 0.731761 0.858694 0.101833
C257  C     C_R   0.109635 0.743141 0.843723 -0.084695
H136  H     H_    0.108974 0.731865 0.832998 0.102023
C258  C     C_R   0.095979 0.757559 0.842948 -0.005330
C259  C     C_R   0.983808 0.657472 0.626057 -0.084709
H137  H     H_    0.972061 0.667661 0.625118 0.102172
C260  C     C_R   0.984807 0.643146 0.612347 -0.084524
H138  H     H_    0.973832 0.642177 0.600733 0.101778
C261  C     C_R   0.999789 0.630093 0.613396 -0.005132
C262  C     C_R   0.013755 0.631446 0.628270 -0.084580
H139  H     H_    0.025530 0.621288 0.629178 0.101952
C263  C     C_R   0.012756 0.645773 0.641980 -0.084668
H140  H     H_    0.023762 0.646775 0.653563 0.102143
C264  C     C_R   0.997786 0.658840 0.640917 -0.005458
C265  C     C_R   0.896388 0.870271 0.758423 -0.084641
H141  H     H_    0.908571 0.869983 0.768797 0.102041
C266  C     C_R   0.882564 0.884460 0.759513 -0.084535
H142  H     H_    0.883978 0.895216 0.770735 0.101931
C267  C     C_R   0.866970 0.884955 0.746303 -0.005108
C268  C     C_R   0.865293 0.871156 0.732012 -0.084506
H143  H     H_    0.853125 0.871462 0.721619 0.101702
C269  C     C_R   0.879115 0.856968 0.730923 -0.084658
H144  H     H_    0.877715 0.846230 0.719683 0.102114
C270  C     C_R   0.894716 0.856480 0.744123 -0.005388
C271  C     C_1   0.140237 0.757394 0.886949 -0.027804
C272  C     C_1   0.152937 0.757365 0.899574 -0.026509
C273  C     C_1   0.852542 0.899782 0.747366 -0.027799
C274  C     C_1   0.840363 0.912144 0.748093 -0.026508
C275  C     C_1   0.000846 0.615213 0.599004 -0.027820
C276  C     C_1   0.001588 0.602828 0.586835 -0.026530
C277  C     C_R   0.183557 0.745078 0.913648 -0.091035
H145  H     H_    0.184334 0.735433 0.901519 0.102466
C278  C     C_R   0.198082 0.745044 0.928074 -0.085547
H146  H     H_    0.210034 0.735271 0.926908 0.122220
C279  C     C_R   0.197256 0.757337 0.943697 0.022505
C280  C     C_R   0.181664 0.769634 0.944615 -0.085498
H147  H     H_    0.180566 0.779404 0.956591 0.122385
C281  C     C_R   0.167178 0.769613 0.930153 -0.091029
H148  H     H_    0.155075 0.779264 0.931003 0.102554
C282  C     C_R   0.168074 0.757349 0.914640 -0.006568
C283  C     C_R   0.809307 0.925494 0.736596 -0.091103
H149  H     H_    0.807494 0.913488 0.726772 0.102289
C284  C     C_R   0.795238 0.939491 0.736897 -0.085291
H150  H     H_    0.782618 0.938072 0.727185 0.122837
C285  C     C_R   0.797371 0.955020 0.749348 0.022297
C286  C     C_R   0.813820 0.956223 0.761530 -0.085808
H151  H     H_    0.815941 0.968151 0.771396 0.121615
C287  C     C_R   0.827879 0.942162 0.761172 -0.090847
H152  H     H_    0.840686 0.943268 0.770687 0.102664
C288  C     C_R   0.825681 0.926772 0.748683 -0.006608
C289  C     C_R   0.014709 0.572833 0.574343 -0.090873
H153  H     H_    0.024200 0.571745 0.587166 0.102698
C290  C     C_R   0.015111 0.558781 0.560260 -0.085829
H154  H     H_    0.024984 0.546875 0.562378 0.121600
C291  C     C_R   0.002966 0.559967 0.543787 0.022298
C292  C     C_R   0.990503 0.575466 0.541656 -0.085289
H155  H     H_    0.980818 0.576872 0.529019 0.122882
C293  C     C_R   0.990158 0.589453 0.555749 -0.091123
H156  H     H_    0.980329 0.601439 0.553935 0.102381
C294  C     C_R   0.002208 0.588193 0.572145 -0.006637
Zn5   Zn    Zn3+2 0.723678 0.006894 0.764416 0.573284
Zn6   Zn    Zn3+2 0.745151 0.984389 0.732224 0.573567
Zn7   Zn    Zn3+2 0.745471 0.029696 0.732176 0.573740
Zn8   Zn    Zn3+2 0.769050 0.006912 0.765308 0.574118
O14   O     O_3   0.745844 0.006974 0.748544 -0.274328
O15   O     O_R   0.707182 0.984740 0.759903 -0.313184
O16   O     O_R   0.744609 0.990469 0.704993 -0.310574
O17   O     O_R   0.723419 0.045802 0.735836 -0.312532
O18   O     O_R   0.722902 0.968218 0.735923 -0.312686
O19   O     O_R   0.707471 0.029017 0.759832 -0.313242
O20   O     O_R   0.744802 0.023865 0.704940 -0.310489
O21   O     O_R   0.767766 0.046003 0.736958 -0.313307
O22   O     O_R   0.763945 0.006828 0.792458 -0.310261
O23   O     O_R   0.785301 0.029098 0.761327 -0.312669
O24   O     O_R   0.730515 0.006791 0.791770 -0.310735
O25   O     O_R   0.767247 0.968084 0.737066 -0.313336
O26   O     O_R   0.784982 0.984777 0.761413 -0.312522
C295  C     C_R   0.782901 0.043916 0.749245 0.198806
C296  C     C_R   0.782400 0.970063 0.749359 0.198842
C297  C     C_R   0.747507 0.006800 0.801590 0.199188
C298  C     C_R   0.708616 0.970147 0.747797 0.198880
C299  C     C_R   0.709102 0.043739 0.747717 0.198867
C300  C     C_R   0.744660 0.007205 0.695496 0.199121
H157  H     H_    0.508617 0.232858 0.229612 0.099000
C301  C     C_R   0.523625 0.243821 0.254960 -0.018588
C302  C     C_R   0.523433 0.257425 0.269554 -0.075075
H158  H     H_    0.534730 0.257425 0.280873 0.096165
C303  C     C_R   0.508859 0.271030 0.269737 -0.018599
C304  C     C_R   0.494447 0.270923 0.255131 -0.075117
H159  H     H_    0.483559 0.282000 0.254695 0.099016
C305  C     C_R   0.494424 0.257428 0.240488 -0.018741
C306  C     C_R   0.509048 0.243932 0.240518 -0.075118
C307  C     C_R   0.491360 0.291177 0.292612 -0.088297
H160  H     H_    0.477913 0.284383 0.287740 0.091959
C308  C     C_R   0.491032 0.305197 0.306680 -0.084497
H161  H     H_    0.477433 0.309352 0.312345 0.101703
C309  C     C_R   0.507933 0.313950 0.313509 -0.005437
C310  C     C_R   0.525230 0.308458 0.306272 -0.084562
H162  H     H_    0.538536 0.315312 0.311492 0.102290
C311  C     C_R   0.525622 0.294392 0.292217 -0.088057
H163  H     H_    0.539308 0.290715 0.286458 0.096126
C312  C     C_R   0.508656 0.285673 0.285162 -0.010129
C313  C     C_R   0.546511 0.223663 0.237491 -0.088277
H164  H     H_    0.541677 0.230451 0.224042 0.091995
C314  C     C_R   0.560566 0.209647 0.237180 -0.084475
H165  H     H_    0.566258 0.205488 0.223592 0.101735
C315  C     C_R   0.567348 0.200904 0.254084 -0.005425
C316  C     C_R   0.560076 0.206401 0.271367 -0.084558
H166  H     H_    0.565259 0.199555 0.284676 0.102268
C317  C     C_R   0.546035 0.220463 0.271742 -0.088055
H167  H     H_    0.540249 0.224143 0.285418 0.096104
C318  C     C_R   0.539029 0.229174 0.254773 -0.010121
C319  C     C_R   0.483128 0.253583 0.206070 -0.087669
H168  H     H_    0.497800 0.250909 0.202286 0.092064
C320  C     C_R   0.468649 0.253628 0.191601 -0.084199
H169  H     H_    0.472096 0.250713 0.176870 0.101750
C321  C     C_R   0.449841 0.257465 0.195837 -0.005196
C322  C     C_R   0.445583 0.261280 0.214646 -0.084218
H170  H     H_    0.430852 0.264210 0.218076 0.101688
C323  C     C_R   0.460029 0.261291 0.229148 -0.087685
H171  H     H_    0.456226 0.263955 0.243817 0.092019
C324  C     C_R   0.478961 0.257431 0.225003 -0.009412
C325  C     C_1   0.581800 0.186040 0.253602 -0.029148
C326  C     C_1   0.593866 0.173550 0.253036 -0.028914
C327  C     C_1   0.507430 0.328822 0.327970 -0.029172
C328  C     C_1   0.506841 0.341319 0.340043 -0.028939
C329  C     C_1   0.434748 0.257492 0.180722 -0.029094
C330  C     C_1   0.422090 0.257519 0.168052 -0.028870
C331  C     C_R   0.622910 0.157342 0.266414 -0.084727
H172  H     H_    0.623633 0.167525 0.278184 0.102156
C332  C     C_R   0.636699 0.143089 0.265597 -0.084558
H173  H     H_    0.648160 0.142174 0.276735 0.101770
C333  C     C_R   0.635911 0.130028 0.250604 -0.005148
C334  C     C_R   0.621226 0.131309 0.236433 -0.084587
H174  H     H_    0.620519 0.121141 0.224650 0.101958
C335  C     C_R   0.607435 0.145565 0.237249 -0.084698
H175  H     H_    0.595990 0.146497 0.226096 0.102169
C336  C     C_R   0.608233 0.158633 0.252238 -0.005462
C337  C     C_R   0.392071 0.270608 0.153352 -0.084688
H176  H     H_    0.391712 0.280837 0.165038 0.102077
C338  C     C_R   0.377596 0.270641 0.138873 -0.084545
H177  H     H_    0.365949 0.280895 0.139268 0.101735
C339  C     C_R   0.377958 0.257618 0.123906 -0.005025
C340  C     C_R   0.392877 0.244564 0.123497 -0.084528
H178  H     H_    0.393234 0.234334 0.111812 0.101812
C341  C     C_R   0.407352 0.244532 0.137975 -0.084674
H179  H     H_    0.418998 0.234277 0.137581 0.102139
C342  C     C_R   0.406989 0.257554 0.152943 -0.005351
C343  C     C_R   0.520077 0.357475 0.369208 -0.084740
H180  H     H_    0.531784 0.347238 0.370016 0.102151
C344  C     C_R   0.519229 0.371735 0.383004 -0.084569
H181  H     H_    0.530280 0.372603 0.394555 0.101734
C345  C     C_R   0.504315 0.384865 0.382107 -0.005151
C346  C     C_R   0.490255 0.383645 0.367307 -0.084604
H182  H     H_    0.478535 0.393867 0.366515 0.101905
C347  C     C_R   0.491103 0.369381 0.353510 -0.084717
H183  H     H_    0.480037 0.368497 0.341974 0.102139
C348  C     C_R   0.506012 0.356245 0.354416 -0.005474
C349  C     C_1   0.650361 0.115197 0.249763 -0.027838
C350  C     C_1   0.662563 0.102841 0.249194 -0.026549
C351  C     C_1   0.503442 0.399705 0.396563 -0.027862
C352  C     C_1   0.502849 0.412069 0.408771 -0.026572
C353  C     C_1   0.362855 0.257650 0.108801 -0.027789
C354  C     C_1   0.350191 0.257672 0.096136 -0.026494
C355  C     C_R   0.675151 0.072805 0.236285 -0.090897
H184  H     H_    0.662392 0.071665 0.226708 0.102694
C356  C     C_R   0.689239 0.058770 0.236020 -0.085796
H185  H     H_    0.687186 0.046828 0.226160 0.121694
C357  C     C_R   0.705638 0.060024 0.248267 0.022288
C358  C     C_R   0.707684 0.075572 0.260703 -0.085342
H186  H     H_    0.720264 0.077027 0.270463 0.122781
C359  C     C_R   0.693581 0.089546 0.260913 -0.091116
H187  H     H_    0.695330 0.101576 0.270715 0.102382
C360  C     C_R   0.677265 0.088220 0.248749 -0.006649
C361  C     C_R   0.489908 0.442087 0.421365 -0.090905
H188  H     H_    0.480338 0.443195 0.408601 0.102648
C362  C     C_R   0.489628 0.456136 0.435457 -0.085803
H189  H     H_    0.479764 0.468058 0.433401 0.121680
C363  C     C_R   0.501869 0.454925 0.451859 0.022279
C364  C     C_R   0.514311 0.439402 0.453907 -0.085354
H190  H     H_    0.524068 0.437982 0.466490 0.122741
C365  C     C_R   0.514536 0.425415 0.439802 -0.091126
H191  H     H_    0.524346 0.413407 0.441550 0.102337
C366  C     C_R   0.502381 0.426700 0.423480 -0.006648
C367  C     C_R   0.336040 0.245461 0.065494 -0.090999
H192  H     H_    0.348160 0.235831 0.064653 0.102484
C368  C     C_R   0.321583 0.245446 0.050999 -0.085491
H193  H     H_    0.322721 0.235701 0.039009 0.122381
C369  C     C_R   0.305967 0.257715 0.051904 0.022506
C370  C     C_R   0.305090 0.269976 0.067546 -0.085521
H194  H     H_    0.293119 0.279727 0.068706 0.122253
C371  C     C_R   0.319584 0.269937 0.082004 -0.091014
H195  H     H_    0.318763 0.279557 0.094149 0.102382
C372  C     C_R   0.335090 0.257692 0.081029 -0.006542
H196  H     H_    0.533361 0.756614 0.278130 0.098499
C373  C     C_R   0.507318 0.742963 0.267194 -0.018480
C374  C     C_R   0.492841 0.743101 0.252658 -0.075182
H197  H     H_    0.481180 0.732701 0.252980 0.099003
C375  C     C_R   0.492553 0.757078 0.238296 -0.018855
C376  C     C_R   0.506987 0.771005 0.238520 -0.074936
H198  H     H_    0.506837 0.781919 0.227337 0.096723
C377  C     C_R   0.521606 0.771083 0.252920 -0.018629
C378  C     C_R   0.521625 0.757060 0.267274 -0.075227
C379  C     C_R   0.468983 0.774335 0.216237 -0.088321
H199  H     H_    0.473709 0.787938 0.222448 0.096248
C380  C     C_R   0.454449 0.774334 0.201828 -0.084674
H200  H     H_    0.448262 0.787831 0.196775 0.102268
C381  C     C_R   0.447743 0.757202 0.193911 -0.005331
C382  C     C_R   0.455622 0.740039 0.200515 -0.084412
H201  H     H_    0.450482 0.726566 0.194304 0.101736
C383  C     C_R   0.470127 0.739978 0.214951 -0.088217
H202  H     H_    0.476321 0.726354 0.219591 0.092129
C384  C     C_R   0.476976 0.757141 0.222940 -0.010219
C385  C     C_R   0.512649 0.732326 0.301431 -0.087522
H203  H     H_    0.516553 0.746920 0.305502 0.092241
C386  C     C_R   0.512342 0.718248 0.315645 -0.084135
H204  H     H_    0.516265 0.721916 0.330474 0.101713
C387  C     C_R   0.506881 0.699590 0.311037 -0.005201
C388  C     C_R   0.501806 0.695068 0.292105 -0.084245
H205  H     H_    0.497609 0.680454 0.288375 0.101670
C389  C     C_R   0.502051 0.709100 0.277872 -0.087714
H206  H     H_    0.498302 0.705059 0.263113 0.092017
C390  C     C_R   0.507415 0.727903 0.282395 -0.009307
C391  C     C_R   0.544121 0.794250 0.269912 -0.088077
H207  H     H_    0.538329 0.790149 0.283541 0.092302
C392  C     C_R   0.558268 0.808423 0.269716 -0.084366
H208  H     H_    0.563529 0.814965 0.283110 0.101774
C393  C     C_R   0.565570 0.814393 0.252502 -0.005399
C394  C     C_R   0.558711 0.806033 0.235484 -0.084733
H209  H     H_    0.564446 0.810565 0.221954 0.102295
C395  C     C_R   0.544547 0.791904 0.235618 -0.088358
H210  H     H_    0.539681 0.785391 0.222089 0.096245
C396  C     C_R   0.537041 0.785915 0.252835 -0.010141
C397  C     C_1   0.506352 0.684918 0.325866 -0.029052
C398  C     C_1   0.505818 0.672542 0.338215 -0.028832
C399  C     C_1   0.432628 0.757236 0.178830 -0.029152
C400  C     C_1   0.419962 0.757262 0.166174 -0.028908
C401  C     C_1   0.580172 0.829330 0.252221 -0.029150
C402  C     C_1   0.592375 0.841880 0.251839 -0.028910
C403  C     C_R   0.491133 0.643429 0.351489 -0.084657
H211  H     H_    0.480671 0.643363 0.339376 0.102037
C404  C     C_R   0.490470 0.629200 0.365517 -0.084542
H212  H     H_    0.479493 0.618048 0.364337 0.101865
C405  C     C_R   0.503790 0.629177 0.381023 -0.005065
C406  C     C_R   0.517769 0.643473 0.382418 -0.084507
H213  H     H_    0.528240 0.643530 0.394523 0.101763
C407  C     C_R   0.518431 0.657701 0.368393 -0.084655
H214  H     H_    0.529417 0.668845 0.369566 0.102126
C408  C     C_R   0.505116 0.657722 0.352883 -0.005352
C409  C     C_R   0.606323 0.870248 0.236412 -0.084716
H215  H     H_    0.594922 0.869505 0.225196 0.102106
C410  C     C_R   0.620275 0.884577 0.235814 -0.084581
H216  H     H_    0.619747 0.895000 0.224137 0.101942
C411  C     C_R   0.634897 0.885606 0.250072 -0.005104
C412  C     C_R   0.635471 0.872230 0.264933 -0.084558
H217  H     H_    0.646887 0.872957 0.276134 0.101807
C413  C     C_R   0.621520 0.857904 0.265531 -0.084704
H218  H     H_    0.622062 0.847466 0.277196 0.102227
C414  C     C_R   0.606905 0.856866 0.251268 -0.005418
C415  C     C_R   0.390898 0.742970 0.150444 -0.084704
H219  H     H_    0.391282 0.731708 0.161312 0.102143
C416  C     C_R   0.376431 0.742989 0.135962 -0.084568
H220  H     H_    0.365528 0.731743 0.135532 0.101823
C417  C     C_R   0.375860 0.757325 0.122035 -0.005039
C418  C     C_R   0.389826 0.771645 0.122666 -0.084562
H221  H     H_    0.389444 0.782904 0.111795 0.101872
C419  C     C_R   0.404292 0.771626 0.137150 -0.084712
H222  H     H_    0.415196 0.782871 0.137577 0.102122
C420  C     C_R   0.404865 0.757289 0.151075 -0.005354
C421  C     C_1   0.503144 0.614328 0.395666 -0.027792
C422  C     C_1   0.502714 0.601929 0.408002 -0.026502
C423  C     C_1   0.360772 0.757341 0.106927 -0.027809
C424  C     C_1   0.348116 0.757348 0.094262 -0.026513
C425  C     C_1   0.649503 0.900513 0.249451 -0.027825
C426  C     C_1   0.661819 0.912949 0.249035 -0.026534
C427  C     C_R   0.514657 0.588617 0.439049 -0.091076
H223  H     H_    0.524468 0.600766 0.440647 0.102374
C428  C     C_R   0.514524 0.574555 0.453259 -0.085376
H224  H     H_    0.524349 0.576050 0.465780 0.122689
C429  C     C_R   0.502064 0.558870 0.451393 0.022362
C430  C     C_R   0.489726 0.557554 0.435074 -0.085721
H225  H     H_    0.479841 0.545507 0.433164 0.121877
C431  C     C_R   0.489914 0.571672 0.420884 -0.090925
H226  H     H_    0.480261 0.570493 0.408189 0.102576
C432  C     C_R   0.502389 0.587229 0.422819 -0.006580
C433  C     C_R   0.334121 0.769624 0.063524 -0.091036
H227  H     H_    0.346364 0.779281 0.062594 0.102544
C434  C     C_R   0.319661 0.769650 0.049036 -0.085522
H228  H     H_    0.320916 0.779429 0.036956 0.122355
C435  C     C_R   0.303895 0.757344 0.050061 0.022543
C436  C     C_R   0.302865 0.745039 0.065811 -0.085513
H229  H     H_    0.290773 0.735259 0.067065 0.122341
C437  C     C_R   0.317362 0.745068 0.080260 -0.091055
H230  H     H_    0.316426 0.735414 0.092491 0.102461
C438  C     C_R   0.333017 0.757347 0.079164 -0.006562
C439  C     C_R   0.692863 0.926327 0.260976 -0.091114
H231  H     H_    0.694470 0.914184 0.270773 0.102427
C440  C     C_R   0.707072 0.940410 0.260847 -0.085386
H232  H     H_    0.719601 0.938938 0.270660 0.122714
C441  C     C_R   0.705195 0.956085 0.248402 0.022375
C442  C     C_R   0.688867 0.957372 0.236079 -0.085733
H233  H     H_    0.686950 0.969410 0.226206 0.121879
C443  C     C_R   0.674678 0.943231 0.236264 -0.090946
H234  H     H_    0.661976 0.944383 0.226619 0.102655
C444  C     C_R   0.676624 0.927683 0.248722 -0.006619
Zn9   Zn    Zn3+2 0.018957 0.508086 0.515406 0.574105
Zn10  Zn    Zn3+2 0.985946 0.530589 0.491516 0.573613
Zn11  Zn    Zn3+2 0.018110 0.508089 0.470043 0.573229
Zn12  Zn    Zn3+2 0.985830 0.485269 0.491763 0.573774
O27   O     O_3   0.002213 0.508008 0.492188 -0.274321
O28   O     O_R   0.015064 0.530233 0.531369 -0.312520
O29   O     O_R   0.989664 0.546733 0.469290 -0.312637
O30   O     O_R   0.045458 0.508192 0.476912 -0.310790
O31   O     O_R   0.990741 0.546897 0.513626 -0.313360
O32   O     O_R   0.046104 0.508200 0.510338 -0.310235
O33   O     O_R   0.013652 0.530237 0.453569 -0.313230
O34   O     O_R   0.013514 0.485960 0.453808 -0.313286
O35   O     O_R   0.990580 0.468978 0.514044 -0.313291
O36   O     O_R   0.989484 0.469161 0.469710 -0.312507
O37   O     O_R   0.014945 0.485916 0.531620 -0.312670
O38   O     O_R   0.958678 0.524489 0.490912 -0.310549
O39   O     O_R   0.958585 0.491092 0.491094 -0.310465
C445  C     C_R   0.001380 0.471234 0.455405 0.198846
C446  C     C_R   0.949161 0.507751 0.490948 0.199190
C447  C     C_R   0.002860 0.471082 0.529190 0.198780
C448  C     C_R   0.003015 0.544933 0.528790 0.198818
C449  C     C_R   0.055257 0.508210 0.493912 0.199147
C450  C     C_R   0.001560 0.544822 0.455018 0.198870
H235  H     H_    0.497309 0.230822 0.779342 0.096056
C451  C     C_R   0.510836 0.241746 0.754447 -0.018733
C452  C     C_R   0.510659 0.256199 0.740544 -0.075051
H236  H     H_    0.521755 0.256555 0.730160 0.099071
C453  C     C_R   0.497095 0.270781 0.740417 -0.018640
C454  C     C_R   0.483602 0.270869 0.754521 -0.075069
H237  H     H_    0.472519 0.281752 0.754032 0.098353
C455  C     C_R   0.483520 0.256531 0.768589 -0.018410
C456  C     C_R   0.497227 0.242025 0.768449 -0.074914
C457  C     C_R   0.493262 0.305040 0.729763 -0.087480
H238  H     H_    0.490374 0.309093 0.744361 0.092180
C458  C     C_R   0.493697 0.319269 0.715687 -0.084112
H239  H     H_    0.490872 0.334077 0.719377 0.101780
C459  C     C_R   0.497896 0.314709 0.697011 -0.005313
C460  C     C_R   0.501567 0.295786 0.692493 -0.084233
H240  H     H_    0.504766 0.292068 0.677878 0.101714
C461  C     C_R   0.501191 0.281541 0.706522 -0.087696
H241  H     H_    0.503824 0.266805 0.702456 0.091860
C462  C     C_R   0.497102 0.286014 0.725345 -0.009440
C463  C     C_R   0.534262 0.219370 0.771324 -0.088034
H242  H     H_    0.530615 0.225205 0.785081 0.096057
C464  C     C_R   0.548308 0.205292 0.770978 -0.084511
H243  H     H_    0.555164 0.200147 0.784374 0.102221
C465  C     C_R   0.553764 0.197925 0.753635 -0.005450
C466  C     C_R   0.544988 0.204673 0.736638 -0.084422
H244  H     H_    0.549096 0.198918 0.722991 0.101661
C467  C     C_R   0.530990 0.218762 0.736923 -0.088223
H245  H     H_    0.524178 0.223541 0.723375 0.091877
C468  C     C_R   0.525512 0.226334 0.754270 -0.010227
C469  C     C_R   0.460504 0.239573 0.789588 -0.088047
H246  H     H_    0.464328 0.225933 0.783417 0.095918
C470  C     C_R   0.446703 0.239746 0.803341 -0.084588
H247  H     H_    0.440251 0.226334 0.807898 0.102278
C471  C     C_R   0.441027 0.256918 0.811191 -0.005563
C472  C     C_R   0.449289 0.273946 0.805155 -0.084370
H248  H     H_    0.445008 0.287470 0.811273 0.101789
C473  C     C_R   0.463060 0.273836 0.791375 -0.088023
H249  H     H_    0.469513 0.287374 0.787208 0.091991
C474  C     C_R   0.468839 0.256635 0.783422 -0.010062
C475  C     C_1   0.568592 0.183398 0.753190 -0.029120
C476  C     C_1   0.581039 0.171266 0.752640 -0.028883
C477  C     C_1   0.498565 0.329558 0.682323 -0.029071
C478  C     C_1   0.499208 0.341906 0.669929 -0.028848
C479  C     C_1   0.426570 0.257075 0.825537 -0.029139
C480  C     C_1   0.414452 0.257213 0.837546 -0.028896
C481  C     C_R   0.608615 0.157165 0.737128 -0.084664
H250  H     H_    0.607458 0.168332 0.726182 0.102102
C482  C     C_R   0.622800 0.143289 0.736307 -0.084554
H251  H     H_    0.632676 0.143666 0.724728 0.101947
C483  C     C_R   0.624385 0.128940 0.750202 -0.005194
C484  C     C_R   0.611680 0.128593 0.764928 -0.084530
H252  H     H_    0.612816 0.117408 0.775856 0.101758
C485  C     C_R   0.597497 0.142468 0.765750 -0.084690
H253  H     H_    0.587603 0.142073 0.777313 0.102108
C486  C     C_R   0.595902 0.156808 0.751848 -0.005488
C487  C     C_R   0.386219 0.271709 0.851631 -0.084673
H254  H     H_    0.386267 0.282865 0.840665 0.102197
C488  C     C_R   0.372372 0.271860 0.865341 -0.084541
H255  H     H_    0.361665 0.283133 0.865026 0.101840
C489  C     C_R   0.372159 0.257679 0.879429 -0.005236
C490  C     C_R   0.385922 0.243350 0.879678 -0.084532
H256  H     H_    0.385874 0.232193 0.890643 0.101820
C491  C     C_R   0.399767 0.243198 0.865967 -0.084692
H257  H     H_    0.410472 0.231923 0.866282 0.102147
C492  C     C_R   0.399981 0.257377 0.851879 -0.005571
C493  C     C_R   0.513609 0.355499 0.641208 -0.084656
H258  H     H_    0.523682 0.343657 0.641505 0.102117
C494  C     C_R   0.514368 0.369495 0.626937 -0.084531
H259  H     H_    0.525030 0.368543 0.616135 0.101886
C495  C     C_R   0.501547 0.384670 0.626417 -0.005143
C496  C     C_R   0.487975 0.385744 0.640284 -0.084504
H260  H     H_    0.477885 0.397573 0.639973 0.101721
C497  C     C_R   0.487217 0.371750 0.654554 -0.084663
H261  H     H_    0.476539 0.372690 0.665341 0.102164
C498  C     C_R   0.500029 0.356569 0.655070 -0.005464
C499  C     C_1   0.639149 0.114389 0.749348 -0.027823
C500  C     C_1   0.651453 0.102116 0.748757 -0.026538
C501  C     C_1   0.502276 0.399282 0.611499 -0.027791
C502  C     C_1   0.502763 0.411587 0.599048 -0.026505
C503  C     C_1   0.357693 0.257825 0.893767 -0.027816
C504  C     C_1   0.345594 0.257911 0.905797 -0.026534
C505  C     C_R   0.665088 0.071422 0.760240 -0.091056
H262  H     H_    0.653402 0.070039 0.769920 0.102366
C506  C     C_R   0.679011 0.057259 0.759990 -0.085349
H263  H     H_    0.677859 0.045014 0.769595 0.122626
C507  C     C_R   0.694133 0.058817 0.747714 0.022143
C508  C     C_R   0.694997 0.074806 0.735669 -0.085801
H264  H     H_    0.706596 0.076486 0.725936 0.121566
C509  C     C_R   0.681015 0.088959 0.735973 -0.090828
H265  H     H_    0.681866 0.101387 0.726547 0.102690
C510  C     C_R   0.666024 0.087334 0.748276 -0.006670
C511  C     C_R   0.491132 0.442098 0.585041 -0.091021
H266  H     H_    0.481494 0.443330 0.596746 0.102336
C512  C     C_R   0.491297 0.456265 0.570919 -0.085355
H267  H     H_    0.481673 0.468366 0.571936 0.122594
C513  C     C_R   0.503526 0.454892 0.555779 0.022193
C514  C     C_R   0.515605 0.439090 0.555088 -0.085758
H268  H     H_    0.525307 0.437560 0.543482 0.121632
C515  C     C_R   0.515387 0.424937 0.569265 -0.090835
H269  H     H_    0.524840 0.412656 0.568554 0.102598
C516  C     C_R   0.503138 0.426377 0.584278 -0.006623
C517  C     C_R   0.332856 0.245694 0.935940 -0.090904
H270  H     H_    0.345007 0.236025 0.937509 0.102499
C518  C     C_R   0.319096 0.245674 0.949732 -0.085520
H271  H     H_    0.320831 0.235889 0.961881 0.122207
C519  C     C_R   0.303408 0.257967 0.947955 0.022009
C520  C     C_R   0.301796 0.270264 0.932112 -0.085644
H272  H     H_    0.289763 0.280039 0.930254 0.121841
C521  C     C_R   0.315599 0.270234 0.918351 -0.090862
H273  H     H_    0.314158 0.279893 0.906066 0.102504
C522  C     C_R   0.331183 0.257957 0.920191 -0.006681
H274  H     H_    0.494929 0.781604 0.776997 0.096198
C523  C     C_R   0.480894 0.755933 0.766291 -0.018413
C524  C     C_R   0.481046 0.741537 0.752453 -0.075100
H275  H     H_    0.470632 0.729885 0.752762 0.098224
C525  C     C_R   0.495102 0.741352 0.738896 -0.018585
C526  C     C_R   0.508986 0.755848 0.739198 -0.075073
H276  H     H_    0.519405 0.756305 0.728138 0.099085
C527  C     C_R   0.509059 0.770360 0.752850 -0.018814
C528  C     C_R   0.494950 0.770315 0.766337 -0.074879
C529  C     C_R   0.512849 0.718546 0.718727 -0.087716
H277  H     H_    0.526361 0.723470 0.725524 0.091857
C530  C     C_R   0.513261 0.704479 0.704702 -0.084251
H278  H     H_    0.526961 0.698896 0.700558 0.101685
C531  C     C_R   0.496323 0.697540 0.695933 -0.005326
C532  C     C_R   0.478908 0.704678 0.701444 -0.084098
H279  H     H_    0.465557 0.699374 0.694603 0.101736
C533  C     C_R   0.478435 0.718736 0.715521 -0.087441
H280  H     H_    0.464624 0.724393 0.719219 0.092234
C534  C     C_R   0.495431 0.725914 0.724237 -0.009430
C535  C     C_R   0.470787 0.761162 0.799887 -0.088097
H281  H     H_    0.485480 0.764976 0.804348 0.095966
C536  C     C_R   0.456903 0.761185 0.813546 -0.084589
H282  H     H_    0.460853 0.765291 0.828250 0.102196
C537  C     C_R   0.438069 0.755947 0.808563 -0.005501
C538  C     C_R   0.433249 0.750605 0.789770 -0.084309
H283  H     H_    0.418518 0.746545 0.785695 0.101637
C539  C     C_R   0.447112 0.750521 0.776072 -0.087949
H284  H     H_    0.442816 0.746646 0.761390 0.092051
C540  C     C_R   0.466051 0.755854 0.780963 -0.010063
C541  C     C_R   0.519512 0.804716 0.756613 -0.088097
H285  H     H_    0.504866 0.808709 0.759350 0.096070
C542  C     C_R   0.533545 0.819014 0.756273 -0.084528
H286  H     H_    0.529772 0.833813 0.759028 0.102185
C543  C     C_R   0.552286 0.814531 0.752269 -0.005408
C544  C     C_R   0.556911 0.795621 0.748674 -0.084399
H287  H     H_    0.571576 0.791965 0.745620 0.101609
C545  C     C_R   0.542925 0.781308 0.748956 -0.088202
H288  H     H_    0.547063 0.766580 0.746393 0.091885
C546  C     C_R   0.524045 0.785698 0.752879 -0.010251
C547  C     C_1   0.423584 0.756091 0.822881 -0.029097
C548  C     C_1   0.411505 0.756255 0.834928 -0.028857
C549  C     C_1   0.496916 0.683058 0.681054 -0.029078
C550  C     C_1   0.497611 0.670969 0.668564 -0.028857
C551  C     C_1   0.566936 0.829445 0.751735 -0.029115
C552  C     C_1   0.579302 0.841849 0.751212 -0.028878
C553  C     C_R   0.382576 0.742746 0.849140 -0.084637
H289  H     H_    0.381905 0.731768 0.838110 0.102107
C554  C     C_R   0.368857 0.742954 0.862977 -0.084502
H290  H     H_    0.357529 0.732137 0.862693 0.101772
C555  C     C_R   0.369567 0.756902 0.877159 -0.005211
C556  C     C_R   0.384118 0.770646 0.877371 -0.084504
H291  H     H_    0.384797 0.781615 0.888409 0.101848
C557  C     C_R   0.397836 0.770438 0.863535 -0.084648
H292  H     H_    0.409174 0.781245 0.863828 0.102046
C558  C     C_R   0.397132 0.756486 0.849357 -0.005515
C559  C     C_R   0.608393 0.855303 0.737393 -0.084656
H293  H     H_    0.608427 0.843262 0.727556 0.102038
C560  C     C_R   0.622641 0.869353 0.736775 -0.084534
H294  H     H_    0.633759 0.868245 0.726457 0.101820
C561  C     C_R   0.622739 0.884780 0.749298 -0.005133
C562  C     C_R   0.608473 0.886053 0.762433 -0.084502
H295  H     H_    0.608454 0.898081 0.772288 0.101720
C563  C     C_R   0.594224 0.872005 0.763050 -0.084666
H296  H     H_    0.583122 0.873099 0.773385 0.102085
C564  C     C_R   0.594133 0.856571 0.750535 -0.005446
C565  C     C_R   0.484787 0.642122 0.651907 -0.084672
H297  H     H_    0.473156 0.641607 0.661719 0.102134
C566  C     C_R   0.485794 0.628294 0.637683 -0.084523
H298  H     H_    0.474941 0.617025 0.636433 0.101741
C567  C     C_R   0.500610 0.628791 0.625084 -0.005196
C568  C     C_R   0.514408 0.643244 0.626814 -0.084562
H299  H     H_    0.526057 0.643739 0.617023 0.101931
C569  C     C_R   0.513402 0.657074 0.641041 -0.084669
H300  H     H_    0.524274 0.668323 0.642315 0.102046
C570  C     C_R   0.498592 0.656567 0.653650 -0.005476
C571  C     C_1   0.355241 0.757099 0.891635 -0.027790
C572  C     C_1   0.343231 0.757236 0.903752 -0.026507
C573  C     C_1   0.501653 0.614279 0.610285 -0.027832
C574  C     C_1   0.502373 0.602019 0.597965 -0.026546
C575  C     C_1   0.637640 0.899439 0.748712 -0.027801
C576  C     C_1   0.650092 0.911766 0.748319 -0.026514
C577  C     C_R   0.330792 0.769657 0.933769 -0.090830
H301  H     H_    0.343114 0.779292 0.935175 0.102557
C578  C     C_R   0.317067 0.769747 0.947606 -0.085624
H302  H     H_    0.318989 0.779542 0.959631 0.121916
C579  C     C_R   0.301178 0.757478 0.946039 0.022035
C580  C     C_R   0.299319 0.745155 0.930360 -0.085509
H303  H     H_    0.287132 0.735391 0.928659 0.122143
C581  C     C_R   0.313075 0.745117 0.916566 -0.090903
H304  H     H_    0.311441 0.735423 0.904423 0.102406
C582  C     C_R   0.328869 0.757349 0.918195 -0.006659
C583  C     C_R   0.515285 0.588893 0.568423 -0.090823
H305  H     H_    0.524666 0.601369 0.567583 0.102677
C584  C     C_R   0.515656 0.574724 0.554438 -0.085847
H306  H     H_    0.525391 0.576437 0.542846 0.121440
C585  C     C_R   0.503657 0.558681 0.555284 0.022155
C586  C     C_R   0.491371 0.557081 0.570393 -0.085299
H307  H     H_    0.481800 0.544796 0.571535 0.122746
C587  C     C_R   0.491055 0.571255 0.584315 -0.091071
H308  H     H_    0.481361 0.569839 0.595984 0.102347
C588  C     C_R   0.502961 0.587225 0.583395 -0.006674
C589  C     C_R   0.664140 0.942262 0.760074 -0.091010
H309  H     H_    0.652429 0.943482 0.769707 0.102352
C590  C     C_R   0.678289 0.956427 0.759959 -0.085381
H310  H     H_    0.677293 0.968518 0.769614 0.122523
C591  C     C_R   0.693432 0.955065 0.747733 0.022220
C592  C     C_R   0.694102 0.939279 0.735611 -0.085729
H311  H     H_    0.705708 0.937757 0.725908 0.121706
C593  C     C_R   0.679901 0.925132 0.735779 -0.090861
H312  H     H_    0.680595 0.912865 0.726289 0.102535
C594  C     C_R   0.664883 0.926559 0.748020 -0.006618
Zn13  Zn    Zn3+2 0.253320 0.273933 0.021290 0.573635
Zn14  Zn    Zn3+2 0.229922 0.241319 0.998171 0.573933
Zn15  Zn    Zn3+2 0.252195 0.274027 0.975918 0.573682
Zn16  Zn    Zn3+2 0.275303 0.241453 0.999265 0.573638
O40   O     O_3   0.252685 0.257681 0.998666 -0.274412
O41   O     O_R   0.231557 0.269570 0.037001 -0.312905
O42   O     O_R   0.213139 0.245561 0.975592 -0.313033
O43   O     O_R   0.252420 0.301237 0.981798 -0.310567
O44   O     O_R   0.214300 0.245418 0.019941 -0.312695
O45   O     O_R   0.253240 0.301159 0.015236 -0.310590
O46   O     O_R   0.229595 0.269749 0.959131 -0.313086
O47   O     O_R   0.273937 0.269944 0.960281 -0.312713
O48   O     O_R   0.292110 0.245668 0.021848 -0.313027
O49   O     O_R   0.290998 0.245813 0.977493 -0.312902
O50   O     O_R   0.275912 0.269754 0.038080 -0.313035
O51   O     O_R   0.235776 0.214112 0.998382 -0.309839
O52   O     O_R   0.269224 0.214223 0.999179 -0.310736
C595  C     C_R   0.288681 0.257918 0.962677 0.198854
C596  C     C_R   0.252461 0.204725 0.998778 0.199800
C597  C     C_R   0.290518 0.257716 0.036463 0.198873
C598  C     C_R   0.216724 0.257458 0.034689 0.198881
C599  C     C_R   0.252830 0.310650 0.998483 0.199216
C600  C     C_R   0.214867 0.257646 0.960863 0.198834
Zn17  Zn    Zn3+2 0.757739 0.985457 0.265506 0.573777
Zn18  Zn    Zn3+2 0.779446 0.008318 0.233245 0.573214
Zn19  Zn    Zn3+2 0.734097 0.008198 0.232384 0.574049
Zn20  Zn    Zn3+2 0.757929 0.030786 0.265426 0.573689
O53   O     O_3   0.757303 0.008189 0.249146 -0.274351
O54   O     O_R   0.779820 0.969413 0.261844 -0.312472
O55   O     O_R   0.772604 0.008401 0.205893 -0.310787
O56   O     O_R   0.717899 0.985995 0.236376 -0.312690
O57   O     O_R   0.795720 0.986230 0.237836 -0.313322
O58   O     O_R   0.735463 0.969118 0.260743 -0.313281
O59   O     O_R   0.739181 0.008293 0.205229 -0.310279
O60   O     O_R   0.718108 0.030292 0.236265 -0.312570
O61   O     O_R   0.758513 0.024711 0.292689 -0.310551
O62   O     O_R   0.735795 0.047046 0.260603 -0.313324
O63   O     O_R   0.758389 0.991311 0.292751 -0.310456
O64   O     O_R   0.795893 0.030508 0.237745 -0.313262
O65   O     O_R   0.780151 0.046997 0.261728 -0.312599
C601  C     C_R   0.720650 0.045021 0.248304 0.198807
C602  C     C_R   0.794431 0.045103 0.249837 0.198886
C603  C     C_R   0.758498 0.007975 0.302191 0.199190
C604  C     C_R   0.794127 0.971505 0.249950 0.198878
C605  C     C_R   0.720325 0.971180 0.248453 0.198789
C606  C     C_R   0.755609 0.008357 0.196084 0.199160
Zn21  Zn    Zn3+2 0.251070 0.740997 0.019635 0.573731
Zn22  Zn    Zn3+2 0.249884 0.741073 0.974254 0.573610
Zn23  Zn    Zn3+2 0.227999 0.773605 0.996278 0.573588
Zn24  Zn    Zn3+2 0.273370 0.773676 0.997340 0.573766
O66   O     O_3   0.250590 0.757341 0.996885 -0.274317
O67   O     O_R   0.250811 0.713795 0.013781 -0.310551
O68   O     O_R   0.227309 0.745271 0.957496 -0.313043
O69   O     O_R   0.212327 0.769292 0.018057 -0.312880
O70   O     O_R   0.249954 0.713839 0.980340 -0.310632
O71   O     O_R   0.229342 0.745151 0.035298 -0.312704
O72   O     O_R   0.211162 0.769402 0.973715 -0.313072
O73   O     O_R   0.234113 0.800812 0.996346 -0.310602
O74   O     O_R   0.290180 0.769418 0.019898 -0.313013
O75   O     O_R   0.267552 0.800891 0.997118 -0.310576
O76   O     O_R   0.273694 0.745268 0.036389 -0.313061
O77   O     O_R   0.271642 0.745396 0.958528 -0.312892
O78   O     O_R   0.288969 0.769531 0.975544 -0.312691
C607  C     C_R   0.250879 0.810303 0.996727 0.199138
C608  C     C_R   0.286496 0.757485 0.960805 0.198913
C609  C     C_R   0.288444 0.757343 0.034635 0.198865
C610  C     C_R   0.250367 0.704365 0.997102 0.199209
C611  C     C_R   0.214620 0.757202 0.032886 0.198885
C612  C     C_R   0.212725 0.757335 0.959113 0.198828
C613  C     C_1   0.261474 0.507390 0.498034 -0.028214
C614  C     C_1   0.243529 0.507471 0.497734 -0.028214
C615  C     C_R   0.293562 0.490177 0.498683 -0.084338
H313  H     H_    0.285823 0.476577 0.498640 0.101857
C616  C     C_R   0.313885 0.490085 0.499029 -0.084491
H314  H     H_    0.321304 0.476417 0.499246 0.103501
C617  C     C_R   0.324733 0.507105 0.499104 -0.007761
C618  C     C_R   0.314287 0.524220 0.498817 -0.084484
H315  H     H_    0.322026 0.537820 0.498865 0.103528
C619  C     C_R   0.293964 0.524312 0.498471 -0.084333
H316  H     H_    0.286545 0.537980 0.498260 0.101882
C620  C     C_R   0.283116 0.507292 0.498397 -0.007067
C621  C     C_R   0.211441 0.524684 0.497093 -0.084334
H317  H     H_    0.219181 0.538284 0.497140 0.101879
C622  C     C_R   0.191118 0.524775 0.496748 -0.084487
H318  H     H_    0.183700 0.538444 0.496537 0.103518
C623  C     C_R   0.180270 0.507756 0.496668 -0.007763
C624  C     C_R   0.190716 0.490641 0.496948 -0.084496
H319  H     H_    0.182977 0.477040 0.496896 0.103485
C625  C     C_R   0.211039 0.490549 0.497292 -0.084342
H320  H     H_    0.218457 0.476881 0.497499 0.101849
C626  C     C_R   0.221887 0.507569 0.497372 -0.007068
C627  C     C_1   0.346376 0.507007 0.499492 -0.028090
C628  C     C_1   0.364323 0.506928 0.499834 -0.026932
C629  C     C_1   0.158626 0.507853 0.496283 -0.028099
C630  C     C_1   0.140680 0.507933 0.495942 -0.026942
C631  C     C_R   0.396144 0.506817 0.483464 -0.089756
H321  H     H_    0.388179 0.506870 0.469642 0.104161
C632  C     C_R   0.416474 0.506742 0.483913 -0.086251
H322  H     H_    0.423532 0.506743 0.470363 0.119086
C633  C     C_R   0.427653 0.506677 0.501254 0.017290
C634  C     C_R   0.417412 0.506689 0.518093 -0.086102
H323  H     H_    0.425215 0.506649 0.531996 0.119365
C635  C     C_R   0.397092 0.506765 0.517609 -0.089880
H324  H     H_    0.389890 0.506776 0.531082 0.104027
C636  C     C_R   0.385968 0.506834 0.500295 -0.008532
C637  C     C_R   0.108854 0.508069 0.512307 -0.089754
H325  H     H_    0.116816 0.508037 0.526130 0.104164
C638  C     C_R   0.088522 0.508144 0.511853 -0.086260
H326  H     H_    0.081461 0.508162 0.525401 0.119083
C639  C     C_R   0.077347 0.508182 0.494510 0.017271
C640  C     C_R   0.087593 0.508145 0.477674 -0.086102
H327  H     H_    0.079794 0.508164 0.463769 0.119375
C641  C     C_R   0.107913 0.508070 0.478163 -0.089889
H328  H     H_    0.115117 0.508039 0.464691 0.104016
C642  C     C_R   0.119034 0.508027 0.495478 -0.008538
C643  C     C_1   0.761446 0.507434 0.497428 -0.028162
C644  C     C_1   0.743559 0.507421 0.498126 -0.028161
C645  C     C_R   0.792102 0.505311 0.479247 -0.084302
H329  H     H_    0.783325 0.503588 0.466017 0.101920
C646  C     C_R   0.812357 0.505327 0.478460 -0.084461
H330  H     H_    0.818685 0.503617 0.464641 0.103505
C647  C     C_R   0.824504 0.507485 0.494975 -0.007746
C648  C     C_R   0.815422 0.509626 0.512316 -0.084457
H331  H     H_    0.824198 0.511350 0.525547 0.103538
C649  C     C_R   0.795166 0.509609 0.513104 -0.084310
H332  H     H_    0.788838 0.511320 0.526922 0.101904
C650  C     C_R   0.783020 0.507451 0.496588 -0.007059
C651  C     C_R   0.712906 0.509557 0.516308 -0.084305
H333  H     H_    0.721684 0.511291 0.529536 0.101898
C652  C     C_R   0.692650 0.509541 0.517098 -0.084462
H334  H     H_    0.686324 0.511261 0.530916 0.103492
C653  C     C_R   0.680501 0.507369 0.500585 -0.007742
C654  C     C_R   0.689582 0.505216 0.483245 -0.084444
H335  H     H_    0.680804 0.503482 0.470017 0.103576
C655  C     C_R   0.709837 0.505233 0.482455 -0.084299
H336  H     H_    0.716164 0.503512 0.468638 0.101936
C656  C     C_R   0.721986 0.507404 0.498967 -0.007058
C657  C     C_1   0.846078 0.507508 0.494139 -0.028051
C658  C     C_1   0.863966 0.507532 0.493454 -0.026896
C659  C     C_1   0.658927 0.507346 0.501425 -0.028038
C660  C     C_1   0.641039 0.507321 0.502114 -0.026883
C661  C     C_R   0.896243 0.524653 0.492176 -0.089807
H337  H     H_    0.888752 0.538268 0.492371 0.104083
C662  C     C_R   0.916507 0.524719 0.491516 -0.086134
H338  H     H_    0.923983 0.538452 0.491255 0.119285
C663  C     C_R   0.927109 0.507676 0.491280 0.017278
C664  C     C_R   0.916347 0.490578 0.491715 -0.086181
H339  H     H_    0.923696 0.476885 0.491614 0.119179
C665  C     C_R   0.896080 0.490546 0.492374 -0.089776
H340  H     H_    0.888457 0.476894 0.492728 0.104107
C666  C     C_R   0.885543 0.507575 0.492646 -0.008518
C667  C     C_R   0.608762 0.490196 0.503378 -0.089800
H341  H     H_    0.616253 0.476582 0.503161 0.104092
C668  C     C_R   0.588499 0.490127 0.504045 -0.086129
H342  H     H_    0.581024 0.476393 0.504291 0.119300
C669  C     C_R   0.577896 0.507168 0.504310 0.017264
C670  C     C_R   0.588657 0.524268 0.503894 -0.086179
H343  H     H_    0.581308 0.537960 0.504018 0.119182
C671  C     C_R   0.608924 0.524303 0.503227 -0.089766
H344  H     H_    0.616546 0.537956 0.502889 0.104123
C672  C     C_R   0.619462 0.507276 0.502927 -0.008514
C673  C     C_1   0.251642 0.998204 0.997763 -0.028233
C674  C     C_1   0.251710 0.016120 0.997945 -0.028434
C675  C     C_R   0.251552 0.965768 0.014608 -0.084311
H345  H     H_    0.251606 0.973176 0.028291 0.101898
C676  C     C_R   0.251475 0.945473 0.014475 -0.084471
H346  H     H_    0.251472 0.937725 0.028058 0.103584
C677  C     C_R   0.251403 0.935066 0.997333 -0.007700
C678  C     C_R   0.251411 0.945901 0.980328 -0.084483
H347  H     H_    0.251357 0.938492 0.966646 0.103539
C679  C     C_R   0.251488 0.966197 0.980461 -0.084325
H348  H     H_    0.251491 0.973946 0.966879 0.101910
C680  C     C_R   0.251560 0.976603 0.997606 -0.006982
C681  C     C_R   0.251679 0.048691 0.981280 -0.084074
H349  H     H_    0.251530 0.041259 0.967606 0.101980
C682  C     C_R   0.251746 0.069027 0.981220 -0.085186
H350  H     H_    0.251641 0.076634 0.967552 0.103132
C683  C     C_R   0.251935 0.079624 0.998238 -0.006406
C684  C     C_R   0.252054 0.068070 0.016111 -0.085216
H351  H     H_    0.252196 0.075317 0.029885 0.102997
C685  C     C_R   0.251981 0.047821 0.015617 -0.084438
H352  H     H_    0.252071 0.039830 0.029064 0.102104
C686  C     C_R   0.251792 0.037718 0.998272 -0.006906
C687  C     C_1   0.251320 0.913464 0.997197 -0.028067
C688  C     C_1   0.251250 0.895547 0.997092 -0.026909
C689  C     C_1   0.251967 0.101226 0.998310 -0.027349
C690  C     C_1   0.251957 0.119143 0.998390 -0.027086
C691  C     C_R   0.268190 0.863378 0.997314 -0.089848
H353  H     H_    0.281866 0.871004 0.997670 0.104136
C692  C     C_R   0.268120 0.843083 0.997220 -0.086182
H354  H     H_    0.281813 0.835701 0.997511 0.119304
C693  C     C_R   0.250981 0.832345 0.996776 0.017409
C694  C     C_R   0.233935 0.842974 0.996429 -0.086170
H355  H     H_    0.220178 0.835505 0.996085 0.119305
C695  C     C_R   0.234040 0.863268 0.996524 -0.089863
H356  H     H_    0.220429 0.870805 0.996248 0.104120
C696  C     C_R   0.251160 0.873945 0.996973 -0.008494
C697  C     C_R   0.234619 0.151005 0.998138 -0.089604
H357  H     H_    0.221080 0.143137 0.997774 0.104387
C698  C     C_R   0.234333 0.171257 0.998235 -0.086583
H358  H     H_    0.220576 0.178524 0.997939 0.117731
C699  C     C_R   0.252342 0.182699 0.998721 0.019193
C700  C     C_R   0.269257 0.171895 0.999070 -0.087033
H359  H     H_    0.283082 0.179237 0.999428 0.118526
C701  C     C_R   0.268960 0.151562 0.998963 -0.089607
H360  H     H_    0.282558 0.144003 0.999248 0.104236
C702  C     C_R   0.251853 0.140744 0.998496 -0.008417
C703  C     C_1   0.251513 0.516466 0.997770 -0.028019
C704  C     C_1   0.251638 0.498549 0.997830 -0.028018
C705  C     C_R   0.251069 0.548739 0.980582 -0.083985
H361  H     H_    0.250945 0.541202 0.966968 0.101695
C706  C     C_R   0.250929 0.569034 0.980516 -0.083962
H362  H     H_    0.250701 0.576654 0.966851 0.101792
C707  C     C_R   0.251076 0.579604 0.997563 -0.006800
C708  C     C_R   0.251370 0.568932 0.014679 -0.083959
H363  H     H_    0.251494 0.576469 0.028294 0.101808
C709  C     C_R   0.251510 0.548637 0.014746 -0.083982
H364  H     H_    0.251738 0.541017 0.028410 0.101706
C710  C     C_R   0.251363 0.538067 0.997699 -0.006803
C711  C     C_R   0.252159 0.466278 0.015023 -0.083979
H365  H     H_    0.252342 0.473818 0.028639 0.101709
C712  C     C_R   0.252301 0.445983 0.015091 -0.083955
H366  H     H_    0.252590 0.438365 0.028759 0.101812
C713  C     C_R   0.252081 0.435410 0.998043 -0.006797
C714  C     C_R   0.251710 0.446080 0.980922 -0.083959
H367  H     H_    0.251528 0.438540 0.967306 0.101803
C715  C     C_R   0.251568 0.466375 0.980854 -0.083984
H368  H     H_    0.251279 0.473993 0.967186 0.101698
C716  C     C_R   0.251789 0.476948 0.997902 -0.006802
C717  C     C_1   0.250929 0.601205 0.997492 -0.027575
C718  C     C_1   0.250809 0.619122 0.997431 -0.026449
C719  C     C_1   0.252232 0.413809 0.998116 -0.027567
C720  C     C_1   0.252356 0.395893 0.998178 -0.026441
C721  C     C_R   0.251040 0.651307 0.014388 -0.089396
H369  H     H_    0.251439 0.643695 0.028060 0.102570
C722  C     C_R   0.250925 0.671602 0.014328 -0.085914
H370  H     H_    0.251245 0.678998 0.028024 0.119170
C723  C     C_R   0.250428 0.682323 0.997194 0.017526
C724  C     C_R   0.250048 0.671677 0.980142 -0.085893
H371  H     H_    0.249663 0.679132 0.966388 0.119206
C725  C     C_R   0.250164 0.651384 0.980237 -0.089412
H372  H     H_    0.249861 0.643833 0.966622 0.102542
C726  C     C_R   0.250667 0.640723 0.997352 -0.007693
C727  C     C_R   0.252152 0.363713 0.981218 -0.089400
H373  H     H_    0.251767 0.371329 0.967548 0.102567
C728  C     C_R   0.252275 0.343418 0.981273 -0.085901
H374  H     H_    0.251973 0.336027 0.967575 0.119204
C729  C     C_R   0.252757 0.332692 0.998404 0.017525
C730  C     C_R   0.253115 0.343332 0.015458 -0.085899
H375  H     H_    0.253487 0.335873 0.029209 0.119189
C731  C     C_R   0.252991 0.363627 0.015368 -0.089400
H376  H     H_    0.253276 0.371174 0.028984 0.102565
C732  C     C_R   0.252503 0.374291 0.998255 -0.007690
C733  C     C_1   0.751380 0.007536 0.989866 -0.028174
C734  C     C_1   0.751693 0.007616 0.007812 -0.028175
C735  C     C_R   0.751031 0.024459 0.957405 -0.084325
H377  H     H_    0.751337 0.038127 0.964847 0.101873
C736  C     C_R   0.750672 0.024369 0.937082 -0.084478
H378  H     H_    0.750708 0.037970 0.929367 0.103514
C737  C     C_R   0.750268 0.007255 0.926605 -0.007752
C738  C     C_R   0.750239 0.990235 0.937424 -0.084457
H379  H     H_    0.749928 0.976567 0.929982 0.103587
C739  C     C_R   0.750597 0.990326 0.957747 -0.084304
H380  H     H_    0.750557 0.976725 0.965462 0.101946
C740  C     C_R   0.751001 0.007440 0.968223 -0.007057
C741  C     C_R   0.751964 0.990693 0.040271 -0.084307
H381  H     H_    0.751596 0.977026 0.032827 0.101942
C742  C     C_R   0.752324 0.990784 0.060594 -0.084461
H382  H     H_    0.752226 0.977183 0.068307 0.103578
C743  C     C_R   0.752808 0.007897 0.071073 -0.007755
C744  C     C_R   0.752914 0.024916 0.060257 -0.084484
H383  H     H_    0.753288 0.038584 0.067701 0.103495
C745  C     C_R   0.752554 0.024826 0.039934 -0.084327
H384  H     H_    0.752658 0.038426 0.032221 0.101867
C746  C     C_R   0.752072 0.007712 0.029455 -0.007057
C747  C     C_1   0.749869 0.007159 0.904960 -0.028057
C748  C     C_1   0.749519 0.007080 0.887013 -0.026901
C749  C     C_1   0.753209 0.007993 0.092717 -0.028071
C750  C     C_1   0.753562 0.008072 0.110664 -0.026916
C751  C     C_R   0.765884 0.006964 0.855189 -0.089739
H385  H     H_    0.779707 0.007010 0.863152 0.104203
C752  C     C_R   0.765432 0.006889 0.834859 -0.086227
H386  H     H_    0.778983 0.006884 0.827801 0.119147
C753  C     C_R   0.748090 0.006832 0.823680 0.017280
C754  C     C_R   0.731252 0.006851 0.833923 -0.086101
H387  H     H_    0.717348 0.006817 0.826121 0.119350
C755  C     C_R   0.731738 0.006926 0.854243 -0.089862
H388  H     H_    0.718265 0.006943 0.861445 0.104053
C756  C     C_R   0.749053 0.006988 0.865367 -0.008526
C757  C     C_R   0.771354 0.008266 0.143426 -0.089870
H389  H     H_    0.784824 0.008280 0.136218 0.104047
C758  C     C_R   0.771848 0.008342 0.163746 -0.086104
H390  H     H_    0.785755 0.008408 0.171542 0.119343
C759  C     C_R   0.755014 0.008322 0.173996 0.017282
C760  C     C_R   0.737667 0.008226 0.162824 -0.086247
H391  H     H_    0.724120 0.008200 0.169889 0.119094
C761  C     C_R   0.737208 0.008150 0.142494 -0.089753
H392  H     H_    0.723382 0.008072 0.134536 0.104174
C762  C     C_R   0.754035 0.008165 0.132310 -0.008531
C763  C     C_1   0.751926 0.007603 0.489903 -0.028159
C764  C     C_1   0.751222 0.007580 0.507789 -0.028159
C765  C     C_R   0.770266 0.007473 0.459254 -0.084299
H393  H     H_    0.783611 0.007327 0.468034 0.101948
C766  C     C_R   0.771062 0.007500 0.438999 -0.084458
H394  H     H_    0.785001 0.007374 0.432677 0.103562
C767  C     C_R   0.754405 0.007685 0.426846 -0.007761
C768  C     C_R   0.736913 0.007842 0.435923 -0.084465
H395  H     H_    0.723568 0.007989 0.427143 0.103555
C769  C     C_R   0.736117 0.007815 0.456177 -0.084315
H396  H     H_    0.722178 0.007942 0.462500 0.101900
C770  C     C_R   0.752774 0.007630 0.468330 -0.007064
C771  C     C_R   0.732882 0.007642 0.538439 -0.084313
H397  H     H_    0.719536 0.007733 0.529659 0.101895
C772  C     C_R   0.732087 0.007615 0.558694 -0.084472
H398  H     H_    0.718148 0.007686 0.565017 0.103510
C773  C     C_R   0.748746 0.007499 0.570845 -0.007759
C774  C     C_R   0.766238 0.007410 0.561768 -0.084448
H399  H     H_    0.779584 0.007318 0.570547 0.103617
C775  C     C_R   0.767033 0.007437 0.541513 -0.084300
H400  H     H_    0.780972 0.007365 0.535190 0.101958
C776  C     C_R   0.750374 0.007553 0.529362 -0.007063
C777  C     C_1   0.755251 0.007717 0.405272 -0.028048
C778  C     C_1   0.755944 0.007749 0.387385 -0.026893
C779  C     C_1   0.747902 0.007467 0.592418 -0.028047
C780  C     C_1   0.747210 0.007435 0.610306 -0.026891
C781  C     C_R   0.757211 0.024876 0.355131 -0.089807
H401  H     H_    0.756990 0.038491 0.362640 0.104104
C782  C     C_R   0.757882 0.024945 0.334868 -0.086141
H402  H     H_    0.758125 0.038678 0.327412 0.119281
C783  C     C_R   0.758151 0.007903 0.324242 0.017268
C784  C     C_R   0.757738 0.990804 0.334982 -0.086168
H403  H     H_    0.757865 0.977112 0.327616 0.119220
C785  C     C_R   0.757067 0.990770 0.355247 -0.089772
H404  H     H_    0.756731 0.977116 0.362850 0.104158
C786  C     C_R   0.756762 0.007797 0.365808 -0.008531
C787  C     C_R   0.746124 0.024414 0.642446 -0.089785
H405  H     H_    0.746486 0.038067 0.634846 0.104118
C788  C     C_R   0.745455 0.024378 0.662711 -0.086187
H406  H     H_    0.745355 0.038070 0.670080 0.119172
C789  C     C_R   0.745008 0.007279 0.673446 0.017247
C790  C     C_R   0.745242 0.990237 0.662818 -0.086142
H407  H     H_    0.744972 0.976504 0.670271 0.119258
C791  C     C_R   0.745911 0.990307 0.642555 -0.089793
H408  H     H_    0.746104 0.976693 0.635043 0.104136
C792  C     C_R   0.746393 0.007387 0.631881 -0.008526

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
Zn1   O1    1.935 .      S
Zn1   O2    1.932 .      S
Zn1   O6    1.923 .      S
Zn1   O11   1.925 .      S
Zn2   O1    1.935 .      S
Zn2   O3    1.923 .      S
Zn2   O5    1.931 .      S
Zn2   O12   1.926 .      S
Zn3   O1    1.935 .      S
Zn3   O4    1.926 .      S
Zn3   O7    1.925 .      S
Zn3   O8    1.931 .      S
Zn4   O1    1.934 .      S
Zn4   O9    1.925 .      S
Zn4   O10   1.931 .      S
Zn4   O13   1.925 .      S
C1    C633  1.529 .      S
C2    C585  1.478 .      S
C3    C513  1.478 .      S
C4    C669  1.530 .      S
C5    C363  1.476 .      S
C6    C429  1.475 .      S
H1    C12   1.079 .      S
C7    C24   1.480 .      S
C8    H2    1.080 .      S
C9    C18   1.483 .      S
C10   H3    1.080 .      S
C11   C30   1.481 .      S
C13   H4    1.080 .      S
C14   H5    1.081 .      S
C15   C33   1.447 .      S
C16   H6    1.081 .      S
C17   H7    1.080 .      S
C19   H8    1.080 .      S
C20   H9    1.081 .      S
C21   C31   1.445 .      S
C22   H10   1.081 .      S
C23   H11   1.080 .      S
C25   H12   1.080 .      S
C26   H13   1.081 .      S
C27   C35   1.446 .      S
C28   H14   1.081 .      S
C29   H15   1.081 .      S
C32   C42   1.445 .      S
C34   C54   1.447 .      S
C36   C48   1.445 .      S
C37   H16   1.081 .      S
C38   H17   1.081 .      S
C39   C55   1.445 .      S
C40   H18   1.081 .      S
C41   H19   1.081 .      S
C43   H20   1.081 .      S
C44   H21   1.081 .      S
C45   C59   1.445 .      S
C46   H22   1.081 .      S
C47   H23   1.081 .      S
C49   H24   1.081 .      S
C50   H25   1.081 .      S
C51   C57   1.447 .      S
C52   H26   1.081 .      S
C53   H27   1.081 .      S
C56   C66   1.445 .      S
C58   C72   1.447 .      S
C60   C78   1.445 .      S
C61   H28   1.081 .      S
C62   H29   1.080 .      S
C63   C602  1.477 .      S
C64   H30   1.080 .      S
C65   H31   1.081 .      S
C67   H32   1.081 .      S
C68   H33   1.080 .      S
C69   C598  1.479 .      S
C70   H34   1.080 .      S
C71   H35   1.081 .      S
C73   H36   1.081 .      S
C74   H37   1.080 .      S
C75   C445  1.478 .      S
C76   H38   1.080 .      S
C77   H39   1.081 .      S
H40   C84   1.080 .      S
C79   C96   1.483 .      S
C80   H41   1.079 .      S
C81   C90   1.481 .      S
C82   H42   1.080 .      S
C82   C83   1.460 1_655  S
C83   C82   1.460 1_455  S
C83   C102  1.480 .      S
C85   H43   1.080 .      S
C86   H44   1.081 .      S
C87   C105  1.446 .      S
C88   H45   1.081 .      S
C89   H46   1.080 .      S
C91   H47   1.080 .      S
C92   H48   1.081 .      S
C93   C103  1.447 .      S
C94   H49   1.081 .      S
C95   H50   1.080 .      S
C97   H51   1.080 .      S
C98   H52   1.081 .      S
C99   C107  1.445 .      S
C100  H53   1.081 .      S
C101  H54   1.080 .      S
C104  C114  1.447 .      S
C106  C126  1.446 .      S
C108  C120  1.445 .      S
C109  H55   1.081 .      S
C110  H56   1.081 .      S
C111  C127  1.447 .      S
C112  H57   1.081 .      S
C113  H58   1.081 .      S
C115  H59   1.081 .      S
C116  H60   1.081 .      S
C117  C131  1.445 .      S
C118  H61   1.081 .      S
C119  H62   1.081 .      S
C121  H63   1.081 .      S
C122  H64   1.081 .      S
C123  C129  1.446 .      S
C124  H65   1.081 .      S
C125  H66   1.081 .      S
C128  C138  1.447 .      S
C130  C144  1.446 .      S
C132  C150  1.445 .      S
C133  H67   1.081 .      S
C134  H68   1.080 .      S
C135  C611  1.479 .      S
C136  H69   1.080 .      S
C137  H70   1.081 .      S
C139  H71   1.081 .      S
C140  H72   1.081 .      S
C141  C604  1.478 .      S
C142  H73   1.080 .      S
C143  H74   1.081 .      S
C145  H75   1.081 .      S
C146  H76   1.080 .      S
C147  C450  1.477 .      S
C148  H77   1.080 .      S
C149  H78   1.081 .      S
H79   C156  1.080 .      S
C151  C168  1.478 .      S
C152  H80   1.080 .      S
C153  C162  1.478 .      S
C154  H81   1.080 .      S
C155  C174  1.477 .      S
C157  H82   1.080 .      S
C158  H83   1.081 .      S
C159  C177  1.443 .      S
C160  H84   1.081 .      S
C161  H85   1.080 .      S
C163  H86   1.080 .      S
C164  H87   1.081 .      S
C165  C175  1.443 .      S
C166  H88   1.081 .      S
C167  H89   1.080 .      S
C169  H90   1.080 .      S
C170  H91   1.081 .      S
C171  C179  1.441 .      S
C172  H92   1.081 .      S
C173  H93   1.080 .      S
C176  C186  1.443 .      S
C178  C198  1.443 .      S
C180  C192  1.441 .      S
C181  H94   1.081 .      S
C182  H95   1.081 .      S
C183  C199  1.443 .      S
C184  H96   1.081 .      S
C185  H97   1.081 .      S
C187  H98   1.081 .      S
C188  H99   1.081 .      S
C189  C203  1.441 .      S
C190  H100  1.081 .      S
C191  H101  1.081 .      S
C193  H102  1.081 .      S
C194  H103  1.081 .      S
C195  C201  1.443 .      S
C196  H104  1.081 .      S
C197  H105  1.081 .      S
C200  C210  1.443 .      S
C202  C216  1.443 .      S
C204  C222  1.441 .      S
C205  H106  1.081 .      S
C206  H107  1.080 .      S
C207  C447  1.475 .      S
C208  H108  1.080 .      S
C209  H109  1.081 .      S
C211  H110  1.081 .      S
C212  H111  1.080 .      S
C213  C295  1.475 .      S
C214  H112  1.080 .      S
C215  H113  1.081 .      S
C217  H114  1.081 .      S
C218  H115  1.080 .      S
C219  C600  1.474 .      S
C220  H116  1.080 .      S
C221  H117  1.081 .      S
H118  C228  1.079 .      S
C223  C240  1.477 .      S
C224  H119  1.080 .      S
C225  C234  1.479 .      S
C226  H120  1.080 .      S
C227  C246  1.479 .      S
C229  H121  1.080 .      S
C230  H122  1.081 .      S
C231  C249  1.444 .      S
C232  H123  1.081 .      S
C233  H124  1.080 .      S
C235  H125  1.080 .      S
C236  H126  1.081 .      S
C237  C247  1.442 .      S
C238  H127  1.081 .      S
C239  H128  1.080 .      S
C241  H129  1.081 .      S
C241  C246  1.464 1_455  S
C242  H130  1.081 .      S
C242  C243  1.455 1_455  S
C243  C242  1.455 1_655  S
C243  C251  1.444 .      S
C244  H131  1.081 .      S
C245  H132  1.080 .      S
C246  C241  1.464 1_655  S
C248  C258  1.442 .      S
C250  C270  1.444 .      S
C252  C264  1.444 .      S
C253  H133  1.081 .      S
C254  H134  1.081 .      S
C255  C271  1.442 .      S
C256  H135  1.081 .      S
C257  H136  1.081 .      S
C259  H137  1.081 .      S
C260  H138  1.081 .      S
C261  C275  1.444 1_655  S
C262  H139  1.081 .      S
C263  H140  1.081 .      S
C265  H141  1.081 .      S
C266  H142  1.081 .      S
C267  C273  1.444 .      S
C268  H143  1.081 .      S
C269  H144  1.081 .      S
C272  C282  1.442 .      S
C274  C288  1.444 .      S
C275  C261  1.444 1_455  S
C276  C294  1.444 .      S
C277  H145  1.081 .      S
C278  H146  1.080 .      S
C279  C612  1.474 .      S
C280  H147  1.080 .      S
C281  H148  1.081 .      S
C283  H149  1.081 .      S
C284  H150  1.080 .      S
C285  C296  1.476 .      S
C286  H151  1.080 .      S
C287  H152  1.081 .      S
C289  H153  1.081 .      S
C290  H154  1.080 .      S
C291  C448  1.476 .      S
C292  H155  1.080 .      S
C293  H156  1.081 .      S
Zn5   O14   1.934 .      S
Zn5   O15   1.925 1_545  S
Zn5   O19   1.923 .      S
Zn5   O24   1.930 .      S
Zn6   O14   1.936 1_565  S
Zn6   O16   1.930 .      S
Zn6   O18   1.926 .      S
Zn6   O25   1.924 .      S
Zn7   O14   1.935 .      S
Zn7   O17   1.927 .      S
Zn7   O20   1.931 .      S
Zn7   O21   1.924 .      S
Zn8   O14   1.935 .      S
Zn8   O22   1.932 .      S
Zn8   O23   1.926 .      S
Zn8   O26   1.925 1_545  S
O14   Zn6   1.936 1_545  S
O15   Zn5   1.925 1_565  S
O26   Zn8   1.925 1_565  S
C297  C753  1.529 .      S
C298  C591  1.477 .      S
C299  C507  1.478 .      S
C300  C789  1.529 .      S
H157  C306  1.080 .      S
C301  C318  1.479 .      S
C302  H158  1.080 .      S
C303  C312  1.479 .      S
C304  H159  1.080 .      S
C305  C324  1.477 .      S
C307  H160  1.080 .      S
C308  H161  1.081 .      S
C309  C327  1.444 .      S
C310  H162  1.081 .      S
C311  H163  1.080 .      S
C313  H164  1.080 .      S
C314  H165  1.081 .      S
C315  C325  1.444 .      S
C316  H166  1.081 .      S
C317  H167  1.080 .      S
C319  H168  1.080 .      S
C320  H169  1.081 .      S
C321  C329  1.442 .      S
C322  H170  1.081 .      S
C323  H171  1.080 .      S
C326  C336  1.444 .      S
C328  C348  1.444 .      S
C330  C342  1.442 .      S
C331  H172  1.081 .      S
C332  H173  1.081 .      S
C333  C349  1.444 .      S
C334  H174  1.081 .      S
C335  H175  1.081 .      S
C337  H176  1.081 .      S
C338  H177  1.081 .      S
C339  C353  1.442 .      S
C340  H178  1.081 .      S
C341  H179  1.081 .      S
C343  H180  1.081 .      S
C344  H181  1.081 .      S
C345  C351  1.444 .      S
C346  H182  1.081 .      S
C347  H183  1.081 .      S
C350  C360  1.444 .      S
C352  C366  1.444 .      S
C354  C372  1.442 .      S
C355  H184  1.081 .      S
C356  H185  1.080 .      S
C357  C601  1.476 .      S
C358  H186  1.080 .      S
C359  H187  1.081 .      S
C361  H188  1.081 .      S
C362  H189  1.080 .      S
C364  H190  1.080 .      S
C365  H191  1.081 .      S
C367  H192  1.081 .      S
C368  H193  1.080 .      S
C369  C597  1.475 .      S
C370  H194  1.080 .      S
C371  H195  1.081 .      S
H196  C378  1.080 .      S
C373  C390  1.478 .      S
C374  H197  1.080 .      S
C375  C384  1.477 .      S
C376  H198  1.079 .      S
C377  C396  1.478 .      S
C379  H199  1.080 .      S
C380  H200  1.081 .      S
C381  C399  1.442 .      S
C382  H201  1.081 .      S
C383  H202  1.081 .      S
C385  H203  1.080 .      S
C386  H204  1.081 .      S
C387  C397  1.443 .      S
C388  H205  1.081 .      S
C389  H206  1.080 .      S
C391  H207  1.081 .      S
C392  H208  1.081 .      S
C393  C401  1.443 .      S
C394  H209  1.081 .      S
C395  H210  1.080 .      S
C398  C408  1.443 .      S
C400  C420  1.442 .      S
C402  C414  1.443 .      S
C403  H211  1.081 .      S
C404  H212  1.081 .      S
C405  C421  1.443 .      S
C406  H213  1.081 .      S
C407  H214  1.081 .      S
C409  H215  1.081 .      S
C410  H216  1.081 .      S
C411  C425  1.443 .      S
C412  H217  1.081 .      S
C413  H218  1.081 .      S
C415  H219  1.081 .      S
C416  H220  1.081 .      S
C417  C423  1.442 .      S
C418  H221  1.081 .      S
C419  H222  1.081 .      S
C422  C432  1.443 .      S
C424  C438  1.442 .      S
C426  C444  1.443 .      S
C427  H223  1.081 .      S
C428  H224  1.080 .      S
C430  H225  1.080 .      S
C431  H226  1.081 .      S
C433  H227  1.081 .      S
C434  H228  1.080 .      S
C435  C609  1.474 .      S
C436  H229  1.080 .      S
C437  H230  1.081 .      S
C439  H231  1.081 .      S
C440  H232  1.080 .      S
C441  C605  1.475 .      S
C442  H233  1.080 .      S
C443  H234  1.081 .      S
Zn9   O27   1.935 .      S
Zn9   O28   1.926 .      S
Zn9   O32   1.931 .      S
Zn9   O37   1.925 .      S
Zn10  O27   1.935 1_655  S
Zn10  O29   1.925 .      S
Zn10  O31   1.923 .      S
Zn10  O38   1.932 .      S
Zn11  O27   1.934 .      S
Zn11  O30   1.930 .      S
Zn11  O33   1.925 .      S
Zn11  O34   1.923 .      S
Zn12  O27   1.935 1_655  S
Zn12  O35   1.924 .      S
Zn12  O36   1.926 .      S
Zn12  O39   1.932 .      S
O27   Zn10  1.935 1_455  S
O27   Zn12  1.935 1_455  S
C446  C663  1.529 .      S
C449  C639  1.529 .      S
H235  C456  1.079 .      S
C451  C468  1.481 .      S
C452  H236  1.080 .      S
C453  C462  1.481 .      S
C454  H237  1.080 .      S
C455  C474  1.483 .      S
C457  H238  1.080 .      S
C458  H239  1.081 .      S
C459  C477  1.445 .      S
C460  H240  1.081 .      S
C461  H241  1.080 .      S
C463  H242  1.080 .      S
C464  H243  1.081 .      S
C465  C475  1.446 .      S
C466  H244  1.081 .      S
C467  H245  1.080 .      S
C469  H246  1.080 .      S
C470  H247  1.081 .      S
C471  C479  1.447 .      S
C472  H248  1.081 .      S
C473  H249  1.080 .      S
C476  C486  1.446 .      S
C478  C498  1.445 .      S
C480  C492  1.447 .      S
C481  H250  1.081 .      S
C482  H251  1.081 .      S
C483  C499  1.446 .      S
C484  H252  1.081 .      S
C485  H253  1.081 .      S
C487  H254  1.081 .      S
C488  H255  1.081 .      S
C489  C503  1.447 .      S
C490  H256  1.081 .      S
C491  H257  1.081 .      S
C493  H258  1.081 .      S
C494  H259  1.081 .      S
C495  C501  1.445 .      S
C496  H260  1.081 .      S
C497  H261  1.081 .      S
C500  C510  1.446 .      S
C502  C516  1.445 .      S
C504  C522  1.447 .      S
C505  H262  1.081 .      S
C506  H263  1.080 .      S
C508  H264  1.080 .      S
C509  H265  1.081 .      S
C511  H266  1.081 .      S
C512  H267  1.080 .      S
C514  H268  1.080 .      S
C515  H269  1.081 .      S
C517  H270  1.081 .      S
C518  H271  1.080 .      S
C519  C595  1.479 .      S
C520  H272  1.080 .      S
C521  H273  1.081 .      S
H274  C528  1.079 .      S
C523  C540  1.483 .      S
C524  H275  1.080 .      S
C525  C534  1.481 .      S
C526  H276  1.080 .      S
C527  C546  1.480 .      S
C529  H277  1.080 .      S
C530  H278  1.081 .      S
C531  C549  1.446 .      S
C532  H279  1.081 .      S
C533  H280  1.080 .      S
C535  H281  1.080 .      S
C536  H282  1.081 .      S
C537  C547  1.447 .      S
C538  H283  1.081 .      S
C539  H284  1.080 .      S
C541  H285  1.080 .      S
C542  H286  1.081 .      S
C543  C551  1.445 .      S
C544  H287  1.081 .      S
C545  H288  1.081 .      S
C548  C558  1.447 .      S
C550  C570  1.446 .      S
C552  C564  1.445 .      S
C553  H289  1.081 .      S
C554  H290  1.081 .      S
C555  C571  1.447 .      S
C556  H291  1.081 .      S
C557  H292  1.081 .      S
C559  H293  1.081 .      S
C560  H294  1.081 .      S
C561  C575  1.445 .      S
C562  H295  1.081 .      S
C563  H296  1.081 .      S
C565  H297  1.081 .      S
C566  H298  1.081 .      S
C567  C573  1.446 .      S
C568  H299  1.081 .      S
C569  H300  1.081 .      S
C572  C582  1.447 .      S
C574  C588  1.446 .      S
C576  C594  1.445 .      S
C577  H301  1.081 .      S
C578  H302  1.080 .      S
C579  C608  1.479 .      S
C580  H303  1.080 .      S
C581  H304  1.081 .      S
C583  H305  1.081 .      S
C584  H306  1.080 .      S
C586  H307  1.080 .      S
C587  H308  1.081 .      S
C589  H309  1.081 .      S
C590  H310  1.080 .      S
C592  H311  1.080 .      S
C593  H312  1.081 .      S
Zn13  O40   1.935 1_554  S
Zn13  O41   1.926 .      S
Zn13  O45   1.930 .      S
Zn13  O50   1.925 .      S
Zn14  O40   1.935 .      S
Zn14  O42   1.924 .      S
Zn14  O44   1.925 1_556  S
Zn14  O51   1.932 .      S
Zn15  O40   1.935 .      S
Zn15  O43   1.932 .      S
Zn15  O46   1.925 .      S
Zn15  O47   1.924 .      S
Zn16  O40   1.935 .      S
Zn16  O48   1.925 1_556  S
Zn16  O49   1.925 .      S
Zn16  O52   1.930 .      S
O40   Zn13  1.935 1_556  S
O44   Zn14  1.925 1_554  S
O48   Zn16  1.925 1_554  S
C596  C699  1.527 .      S
C599  C729  1.528 .      S
Zn17  O53   1.935 1_565  S
Zn17  O54   1.926 .      S
Zn17  O58   1.924 .      S
Zn17  O63   1.932 .      S
Zn18  O53   1.934 .      S
Zn18  O55   1.930 .      S
Zn18  O57   1.924 1_545  S
Zn18  O64   1.925 .      S
Zn19  O53   1.935 .      S
Zn19  O56   1.925 1_545  S
Zn19  O59   1.932 .      S
Zn19  O60   1.925 .      S
Zn20  O53   1.935 .      S
Zn20  O61   1.932 .      S
Zn20  O62   1.924 .      S
Zn20  O65   1.926 .      S
O53   Zn17  1.935 1_545  S
O56   Zn19  1.925 1_565  S
O57   Zn18  1.924 1_565  S
C603  C783  1.530 .      S
C606  C759  1.529 .      S
Zn21  O66   1.935 1_554  S
Zn21  O67   1.931 .      S
Zn21  O71   1.925 .      S
Zn21  O76   1.925 .      S
Zn22  O66   1.936 .      S
Zn22  O68   1.923 .      S
Zn22  O70   1.931 .      S
Zn22  O77   1.925 .      S
Zn23  O66   1.935 .      S
Zn23  O69   1.924 1_556  S
Zn23  O72   1.925 .      S
Zn23  O73   1.929 .      S
Zn24  O66   1.935 .      S
Zn24  O74   1.924 1_556  S
Zn24  O75   1.932 .      S
Zn24  O78   1.926 .      S
O66   Zn21  1.935 1_556  S
O69   Zn23  1.924 1_554  S
O74   Zn24  1.924 1_554  S
C607  C693  1.528 .      S
C610  C723  1.528 .      S
C613  C620  1.499 .      S
C614  C626  1.499 .      S
C615  H313  1.081 .      S
C616  H314  1.081 .      S
C617  C627  1.499 .      S
C618  H315  1.081 .      S
C619  H316  1.081 .      S
C621  H317  1.081 .      S
C622  H318  1.081 .      S
C623  C629  1.499 .      S
C624  H319  1.081 .      S
C625  H320  1.081 .      S
C628  C636  1.499 .      S
C630  C642  1.499 .      S
C631  H321  1.081 .      S
C632  H322  1.081 .      S
C634  H323  1.081 .      S
C635  H324  1.081 .      S
C637  H325  1.081 .      S
C638  H326  1.081 .      S
C640  H327  1.081 .      S
C641  H328  1.081 .      S
C643  C650  1.499 .      S
C644  C656  1.499 .      S
C645  H329  1.081 .      S
C646  H330  1.081 .      S
C647  C657  1.499 .      S
C648  H331  1.081 .      S
C649  H332  1.081 .      S
C651  H333  1.081 .      S
C652  H334  1.081 .      S
C653  C659  1.499 .      S
C654  H335  1.081 .      S
C655  H336  1.081 .      S
C658  C666  1.499 .      S
C660  C672  1.499 .      S
C661  H337  1.081 .      S
C662  H338  1.081 .      S
C664  H339  1.081 .      S
C665  H340  1.081 .      S
C667  H341  1.081 .      S
C668  H342  1.081 .      S
C670  H343  1.081 .      S
C671  H344  1.081 .      S
C673  C680  1.497 .      S
C674  C686  1.497 .      S
C675  H345  1.081 .      S
C676  H346  1.081 .      S
C677  C687  1.497 .      S
C678  H347  1.081 .      S
C679  H348  1.081 .      S
C681  H349  1.081 .      S
C682  H350  1.081 .      S
C683  C684  1.471 1_556  S
C683  C689  1.497 .      S
C684  C683  1.471 1_554  S
C684  H351  1.081 .      S
C685  H352  1.081 .      S
C688  C696  1.497 .      S
C690  C702  1.497 .      S
C691  H353  1.081 .      S
C692  H354  1.081 .      S
C694  H355  1.081 .      S
C695  H356  1.081 .      S
C697  H357  1.081 .      S
C698  H358  1.081 .      S
C698  C699  1.473 .      S
C700  H359  1.081 .      S
C701  H360  1.081 .      S
C703  C710  1.497 .      S
C704  C716  1.497 .      S
C705  H361  1.081 .      S
C706  H362  1.081 .      S
C707  C717  1.497 .      S
C708  H363  1.081 .      S
C709  H364  1.081 .      S
C711  H365  1.081 .      S
C712  H366  1.081 .      S
C713  C719  1.497 .      S
C714  H367  1.081 .      S
C715  H368  1.081 .      S
C718  C726  1.497 .      S
C720  C732  1.497 .      S
C721  H369  1.081 .      S
C722  H370  1.081 .      S
C724  H371  1.081 .      S
C725  H372  1.081 .      S
C727  H373  1.081 .      S
C728  H374  1.081 .      S
C730  H375  1.081 .      S
C731  H376  1.081 .      S
C733  C740  1.499 .      S
C734  C746  1.499 .      S
C735  H377  1.081 .      S
C736  H378  1.081 .      S
C737  C747  1.499 .      S
C738  H379  1.081 .      S
C739  H380  1.081 .      S
C741  H381  1.081 .      S
C742  H382  1.081 .      S
C743  C749  1.499 .      S
C744  H383  1.081 .      S
C745  H384  1.081 .      S
C748  C756  1.499 .      S
C750  C762  1.499 .      S
C751  H385  1.081 .      S
C752  H386  1.081 .      S
C754  H387  1.081 .      S
C755  H388  1.081 .      S
C757  H389  1.081 .      S
C758  H390  1.081 .      S
C760  H391  1.081 .      S
C761  H392  1.081 .      S
C763  C770  1.499 .      S
C764  C776  1.499 .      S
C765  H393  1.081 .      S
C766  H394  1.081 .      S
C767  C777  1.499 .      S
C768  H395  1.081 .      S
C769  H396  1.081 .      S
C771  H397  1.081 .      S
C772  H398  1.081 .      S
C773  C779  1.499 .      S
C774  H399  1.081 .      S
C775  H400  1.081 .      S
C778  C786  1.499 .      S
C780  C792  1.499 .      S
C781  H401  1.081 .      S
C782  H402  1.081 .      S
C784  H403  1.081 .      S
C785  H404  1.081 .      S
C787  H405  1.081 .      S
C788  H406  1.081 .      S
C790  H407  1.081 .      S
C791  H408  1.081 .      S
O2    C4    1.330 .      A
O3    C6    1.325 .      A
O4    C5    1.327 .      A
O5    C4    1.331 .      A
O6    C5    1.325 .      A
O7    C6    1.327 .      A
O8    C1    1.331 .      A
O9    C3    1.325 .      A
O10   C1    1.330 .      A
O11   C3    1.327 .      A
O12   C2    1.328 .      A
O13   C2    1.325 .      A
C7    C8    1.386 1_655  A
C7    C12   1.385 .      A
C8    C7    1.386 1_455  A
C8    C9    1.388 .      A
C9    C10   1.388 .      A
C10   C11   1.387 .      A
C11   C12   1.385 1_455  A
C12   C11   1.385 1_655  A
C13   C14   1.384 .      A
C13   C18   1.387 .      A
C14   C15   1.380 .      A
C15   C16   1.380 .      A
C16   C17   1.384 .      A
C17   C18   1.387 .      A
C19   C20   1.382 .      A
C19   C24   1.386 .      A
C20   C21   1.379 .      A
C21   C22   1.380 .      A
C22   C23   1.384 .      A
C23   C24   1.386 .      A
C25   C26   1.382 .      A
C25   C30   1.386 1_655  A
C26   C27   1.379 1_655  A
C27   C26   1.379 1_455  A
C27   C28   1.380 .      A
C28   C29   1.384 .      A
C29   C30   1.386 .      A
C30   C25   1.386 1_455  A
C37   C38   1.383 .      A
C37   C42   1.381 .      A
C38   C39   1.381 .      A
C39   C40   1.381 .      A
C40   C41   1.384 .      A
C41   C42   1.381 .      A
C43   C44   1.384 .      A
C43   C48   1.381 .      A
C44   C45   1.381 .      A
C45   C46   1.381 1_455  A
C46   C45   1.381 1_655  A
C46   C47   1.384 .      A
C47   C48   1.381 1_655  A
C48   C47   1.381 1_455  A
C49   C50   1.384 .      A
C49   C54   1.382 .      A
C50   C51   1.382 .      A
C51   C52   1.382 .      A
C52   C53   1.384 .      A
C53   C54   1.382 .      A
C61   C62   1.385 .      A
C61   C66   1.380 .      A
C62   C63   1.386 .      A
C63   C64   1.386 .      A
C64   C65   1.382 .      A
C65   C66   1.379 .      A
C67   C68   1.384 .      A
C67   C72   1.380 .      A
C68   C69   1.386 .      A
C69   C70   1.386 .      A
C70   C71   1.385 .      A
C71   C72   1.380 .      A
C73   C74   1.385 .      A
C73   C78   1.381 1_655  A
C74   C75   1.386 1_655  A
C75   C74   1.386 1_455  A
C75   C76   1.386 .      A
C76   C77   1.382 .      A
C77   C78   1.379 .      A
C78   C73   1.381 1_455  A
C79   C80   1.393 .      A
C79   C84   1.390 .      A
C80   C81   1.390 1_455  A
C81   C80   1.390 1_655  A
C81   C82   1.383 .      A
C83   C84   1.385 .      A
C85   C86   1.382 .      A
C85   C90   1.386 .      A
C86   C87   1.379 .      A
C87   C88   1.380 .      A
C88   C89   1.385 .      A
C89   C90   1.386 .      A
C91   C92   1.384 .      A
C91   C96   1.387 .      A
C92   C93   1.380 .      A
C93   C94   1.380 .      A
C94   C95   1.385 .      A
C95   C96   1.387 .      A
C97   C98   1.384 .      A
C97   C102  1.387 .      A
C98   C99   1.380 .      A
C99   C100  1.379 1_455  A
C100  C99   1.379 1_655  A
C100  C101  1.382 .      A
C101  C102  1.386 1_655  A
C102  C101  1.386 1_455  A
C109  C110  1.384 .      A
C109  C114  1.381 .      A
C110  C111  1.382 .      A
C111  C112  1.382 .      A
C112  C113  1.384 .      A
C113  C114  1.382 .      A
C115  C116  1.383 .      A
C115  C120  1.381 1_655  A
C116  C117  1.381 1_655  A
C117  C116  1.381 1_455  A
C117  C118  1.381 .      A
C118  C119  1.383 .      A
C119  C120  1.381 .      A
C120  C115  1.381 1_455  A
C121  C122  1.384 .      A
C121  C126  1.381 .      A
C122  C123  1.381 .      A
C123  C124  1.381 .      A
C124  C125  1.384 .      A
C125  C126  1.381 .      A
C133  C134  1.385 .      A
C133  C138  1.380 .      A
C134  C135  1.386 .      A
C135  C136  1.386 .      A
C136  C137  1.384 .      A
C137  C138  1.380 .      A
C139  C140  1.385 .      A
C139  C144  1.381 .      A
C140  C141  1.386 .      A
C141  C142  1.386 .      A
C142  C143  1.382 .      A
C143  C144  1.379 .      A
C145  C146  1.382 .      A
C145  C150  1.379 .      A
C146  C147  1.386 .      A
C147  C148  1.386 1_455  A
C148  C147  1.386 1_655  A
C148  C149  1.384 .      A
C149  C150  1.380 1_655  A
C150  C149  1.380 1_455  A
C151  C152  1.387 .      A
C151  C156  1.385 1_655  A
C152  C153  1.387 .      A
C153  C154  1.385 .      A
C154  C155  1.384 1_655  A
C155  C154  1.384 1_455  A
C155  C156  1.384 .      A
C156  C151  1.385 1_455  A
C157  C158  1.381 .      A
C157  C162  1.386 .      A
C158  C159  1.378 .      A
C159  C160  1.379 .      A
C160  C161  1.383 .      A
C161  C162  1.386 .      A
C163  C164  1.382 .      A
C163  C168  1.386 1_455  A
C164  C165  1.378 1_455  A
C165  C164  1.378 1_655  A
C165  C166  1.379 .      A
C166  C167  1.383 .      A
C167  C168  1.386 .      A
C168  C163  1.386 1_655  A
C169  C170  1.382 .      A
C169  C174  1.385 .      A
C170  C171  1.379 .      A
C171  C172  1.378 .      A
C172  C173  1.382 .      A
C173  C174  1.386 .      A
C181  C182  1.382 .      A
C181  C186  1.380 .      A
C182  C183  1.381 1_655  A
C183  C182  1.381 1_455  A
C183  C184  1.381 .      A
C184  C185  1.383 .      A
C185  C186  1.381 1_455  A
C186  C185  1.381 1_655  A
C187  C188  1.382 .      A
C187  C192  1.380 .      A
C188  C189  1.380 .      A
C189  C190  1.380 .      A
C190  C191  1.382 .      A
C191  C192  1.380 .      A
C193  C194  1.382 .      A
C193  C198  1.380 .      A
C194  C195  1.381 .      A
C195  C196  1.381 .      A
C196  C197  1.383 .      A
C197  C198  1.381 .      A
C205  C206  1.384 .      A
C205  C210  1.380 .      A
C206  C207  1.386 .      A
C207  C208  1.386 1_455  A
C208  C207  1.386 1_655  A
C208  C209  1.381 .      A
C209  C210  1.378 1_655  A
C210  C209  1.378 1_455  A
C211  C212  1.384 .      A
C211  C216  1.380 .      A
C212  C213  1.386 .      A
C213  C214  1.386 .      A
C214  C215  1.381 .      A
C215  C216  1.378 .      A
C217  C218  1.382 .      A
C217  C222  1.379 .      A
C218  C219  1.385 .      A
C219  C220  1.385 .      A
C220  C221  1.382 .      A
C221  C222  1.379 .      A
C223  C224  1.384 1_455  A
C223  C228  1.384 .      A
C224  C223  1.384 1_655  A
C224  C225  1.385 .      A
C225  C226  1.388 .      A
C226  C227  1.388 .      A
C227  C228  1.385 1_655  A
C228  C227  1.385 1_455  A
C229  C230  1.384 .      A
C229  C234  1.386 .      A
C230  C231  1.380 .      A
C231  C232  1.378 .      A
C232  C233  1.382 .      A
C233  C234  1.386 .      A
C235  C236  1.382 .      A
C235  C240  1.386 .      A
C236  C237  1.379 .      A
C237  C238  1.379 .      A
C238  C239  1.382 .      A
C239  C240  1.385 .      A
C241  C242  1.378 .      A
C243  C244  1.382 .      A
C244  C245  1.388 .      A
C245  C246  1.388 .      A
C253  C254  1.382 .      A
C253  C258  1.380 .      A
C254  C255  1.380 .      A
C255  C256  1.380 .      A
C256  C257  1.382 .      A
C257  C258  1.380 .      A
C259  C260  1.383 .      A
C259  C264  1.381 .      A
C260  C261  1.381 .      A
C261  C262  1.381 1_655  A
C262  C261  1.381 1_455  A
C262  C263  1.383 .      A
C263  C264  1.381 1_455  A
C264  C263  1.381 1_655  A
C265  C266  1.383 .      A
C265  C270  1.381 .      A
C266  C267  1.381 .      A
C267  C268  1.381 .      A
C268  C269  1.383 .      A
C269  C270  1.381 .      A
C277  C278  1.382 .      A
C277  C282  1.379 .      A
C278  C279  1.386 .      A
C279  C280  1.385 .      A
C280  C281  1.382 .      A
C281  C282  1.379 .      A
C283  C284  1.382 .      A
C283  C288  1.378 .      A
C284  C285  1.386 .      A
C285  C286  1.386 .      A
C286  C287  1.384 .      A
C287  C288  1.380 .      A
C289  C290  1.384 .      A
C289  C294  1.380 .      A
C290  C291  1.386 .      A
C291  C292  1.386 1_455  A
C292  C291  1.386 1_655  A
C292  C293  1.381 .      A
C293  C294  1.378 1_655  A
C294  C293  1.378 1_455  A
O15   C298  1.326 .      A
O16   C300  1.330 1_565  A
O17   C299  1.328 .      A
O18   C298  1.327 .      A
O19   C299  1.325 .      A
O20   C300  1.330 .      A
O21   C295  1.325 .      A
O22   C297  1.331 .      A
O23   C295  1.327 .      A
O24   C297  1.330 .      A
O25   C296  1.325 .      A
O26   C296  1.327 .      A
C300  O16   1.330 1_545  A
C301  C302  1.388 .      A
C301  C306  1.385 .      A
C302  C303  1.387 .      A
C303  C304  1.385 .      A
C304  C305  1.384 .      A
C305  C306  1.384 .      A
C307  C308  1.382 .      A
C307  C312  1.386 .      A
C308  C309  1.378 .      A
C309  C310  1.380 .      A
C310  C311  1.384 .      A
C311  C312  1.386 .      A
C313  C314  1.382 .      A
C313  C318  1.386 .      A
C314  C315  1.378 .      A
C315  C316  1.380 .      A
C316  C317  1.384 .      A
C317  C318  1.386 .      A
C319  C320  1.382 .      A
C319  C324  1.386 .      A
C320  C321  1.379 .      A
C321  C322  1.379 .      A
C322  C323  1.382 .      A
C323  C324  1.386 .      A
C331  C332  1.383 .      A
C331  C336  1.381 .      A
C332  C333  1.381 .      A
C333  C334  1.381 .      A
C334  C335  1.383 .      A
C335  C336  1.381 .      A
C337  C338  1.382 .      A
C337  C342  1.380 .      A
C338  C339  1.380 .      A
C339  C340  1.380 .      A
C340  C341  1.382 .      A
C341  C342  1.380 .      A
C343  C344  1.383 .      A
C343  C348  1.381 .      A
C344  C345  1.381 .      A
C345  C346  1.381 .      A
C346  C347  1.383 .      A
C347  C348  1.381 .      A
C355  C356  1.384 .      A
C355  C360  1.380 .      A
C356  C357  1.386 .      A
C357  C358  1.386 .      A
C358  C359  1.382 .      A
C359  C360  1.378 .      A
C361  C362  1.384 .      A
C361  C366  1.380 .      A
C362  C363  1.386 .      A
C363  C364  1.386 .      A
C364  C365  1.382 .      A
C365  C366  1.378 .      A
C367  C368  1.382 .      A
C367  C372  1.379 .      A
C368  C369  1.385 .      A
C369  C370  1.386 .      A
C370  C371  1.382 .      A
C371  C372  1.379 .      A
C373  C374  1.385 .      A
C373  C378  1.386 .      A
C374  C375  1.384 .      A
C375  C376  1.384 .      A
C376  C377  1.385 .      A
C377  C378  1.386 .      A
C379  C380  1.382 .      A
C379  C384  1.385 .      A
C380  C381  1.379 .      A
C381  C382  1.378 .      A
C382  C383  1.382 .      A
C383  C384  1.385 .      A
C385  C386  1.383 .      A
C385  C390  1.386 .      A
C386  C387  1.379 .      A
C387  C388  1.378 .      A
C388  C389  1.382 .      A
C389  C390  1.386 .      A
C391  C392  1.383 .      A
C391  C396  1.386 .      A
C392  C393  1.379 .      A
C393  C394  1.378 .      A
C394  C395  1.382 .      A
C395  C396  1.386 .      A
C403  C404  1.383 .      A
C403  C408  1.381 .      A
C404  C405  1.380 .      A
C405  C406  1.381 .      A
C406  C407  1.382 .      A
C407  C408  1.380 .      A
C409  C410  1.383 .      A
C409  C414  1.381 .      A
C410  C411  1.381 .      A
C411  C412  1.381 .      A
C412  C413  1.382 .      A
C413  C414  1.380 .      A
C415  C416  1.382 .      A
C415  C420  1.380 .      A
C416  C417  1.380 .      A
C417  C418  1.380 .      A
C418  C419  1.382 .      A
C419  C420  1.380 .      A
C427  C428  1.382 .      A
C427  C432  1.378 .      A
C428  C429  1.386 .      A
C429  C430  1.386 .      A
C430  C431  1.383 .      A
C431  C432  1.380 .      A
C433  C434  1.382 .      A
C433  C438  1.379 .      A
C434  C435  1.385 .      A
C435  C436  1.385 .      A
C436  C437  1.382 .      A
C437  C438  1.379 .      A
C439  C440  1.381 .      A
C439  C444  1.378 .      A
C440  C441  1.386 .      A
C441  C442  1.386 .      A
C442  C443  1.383 .      A
C443  C444  1.380 .      A
O28   C448  1.328 .      A
O29   C450  1.327 1_655  A
O30   C449  1.330 .      A
O31   C448  1.325 1_655  A
O32   C449  1.331 .      A
O33   C450  1.325 .      A
O34   C445  1.325 .      A
O35   C447  1.325 1_655  A
O36   C445  1.328 1_655  A
O37   C447  1.327 .      A
O38   C446  1.330 .      A
O39   C446  1.330 .      A
C445  O36   1.328 1_455  A
C447  O35   1.325 1_455  A
C448  O31   1.325 1_455  A
C450  O29   1.327 1_455  A
C451  C452  1.385 .      A
C451  C456  1.387 .      A
C452  C453  1.385 .      A
C453  C454  1.387 .      A
C454  C455  1.388 .      A
C455  C456  1.389 .      A
C457  C458  1.384 .      A
C457  C462  1.386 .      A
C458  C459  1.380 .      A
C459  C460  1.379 .      A
C460  C461  1.382 .      A
C461  C462  1.386 .      A
C463  C464  1.385 .      A
C463  C468  1.386 .      A
C464  C465  1.380 .      A
C465  C466  1.379 .      A
C466  C467  1.383 .      A
C467  C468  1.386 .      A
C469  C470  1.384 .      A
C469  C474  1.387 .      A
C470  C471  1.380 .      A
C471  C472  1.380 .      A
C472  C473  1.384 .      A
C473  C474  1.387 .      A
C481  C482  1.384 .      A
C481  C486  1.381 .      A
C482  C483  1.381 .      A
C483  C484  1.381 .      A
C484  C485  1.384 .      A
C485  C486  1.381 .      A
C487  C488  1.384 .      A
C487  C492  1.382 .      A
C488  C489  1.382 .      A
C489  C490  1.382 .      A
C490  C491  1.384 .      A
C491  C492  1.382 .      A
C493  C494  1.384 .      A
C493  C498  1.381 .      A
C494  C495  1.381 .      A
C495  C496  1.381 .      A
C496  C497  1.384 .      A
C497  C498  1.381 .      A
C505  C506  1.382 .      A
C505  C510  1.379 .      A
C506  C507  1.386 .      A
C507  C508  1.386 .      A
C508  C509  1.385 .      A
C509  C510  1.381 .      A
C511  C512  1.382 .      A
C511  C516  1.379 .      A
C512  C513  1.386 .      A
C513  C514  1.386 .      A
C514  C515  1.385 .      A
C515  C516  1.380 .      A
C517  C518  1.384 .      A
C517  C522  1.380 .      A
C518  C519  1.386 .      A
C519  C520  1.386 .      A
C520  C521  1.385 .      A
C521  C522  1.380 .      A
C523  C524  1.389 .      A
C523  C528  1.388 .      A
C524  C525  1.388 .      A
C525  C526  1.385 .      A
C526  C527  1.385 .      A
C527  C528  1.387 .      A
C529  C530  1.382 .      A
C529  C534  1.386 .      A
C530  C531  1.379 .      A
C531  C532  1.380 .      A
C532  C533  1.385 .      A
C533  C534  1.386 .      A
C535  C536  1.384 .      A
C535  C540  1.387 .      A
C536  C537  1.379 .      A
C537  C538  1.380 .      A
C538  C539  1.385 .      A
C539  C540  1.387 .      A
C541  C542  1.384 .      A
C541  C546  1.386 .      A
C542  C543  1.380 .      A
C543  C544  1.379 .      A
C544  C545  1.382 .      A
C545  C546  1.386 .      A
C553  C554  1.384 .      A
C553  C558  1.382 .      A
C554  C555  1.382 .      A
C555  C556  1.381 .      A
C556  C557  1.384 .      A
C557  C558  1.382 .      A
C559  C560  1.384 .      A
C559  C564  1.381 .      A
C560  C561  1.381 .      A
C561  C562  1.381 .      A
C562  C563  1.383 .      A
C563  C564  1.381 .      A
C565  C566  1.384 .      A
C565  C570  1.381 .      A
C566  C567  1.381 .      A
C567  C568  1.381 .      A
C568  C569  1.384 .      A
C569  C570  1.381 .      A
C577  C578  1.385 .      A
C577  C582  1.380 .      A
C578  C579  1.386 .      A
C579  C580  1.386 .      A
C580  C581  1.384 .      A
C581  C582  1.380 .      A
C583  C584  1.385 .      A
C583  C588  1.381 .      A
C584  C585  1.386 .      A
C585  C586  1.386 .      A
C586  C587  1.382 .      A
C587  C588  1.379 .      A
C589  C590  1.383 .      A
C589  C594  1.379 .      A
C590  C591  1.386 .      A
C591  C592  1.386 .      A
C592  C593  1.384 .      A
C593  C594  1.380 .      A
O41   C598  1.326 .      A
O42   C600  1.326 .      A
O43   C599  1.330 .      A
O44   C598  1.327 .      A
O45   C599  1.330 1_554  A
O46   C600  1.326 .      A
O47   C595  1.327 .      A
O48   C597  1.326 .      A
O49   C595  1.326 .      A
O50   C597  1.326 .      A
O51   C596  1.330 .      A
O52   C596  1.330 .      A
C599  O45   1.330 1_556  A
O54   C604  1.328 .      A
O55   C606  1.329 .      A
O56   C605  1.327 .      A
O57   C604  1.325 .      A
O58   C605  1.325 .      A
O59   C606  1.331 .      A
O60   C601  1.327 .      A
O61   C603  1.330 .      A
O62   C601  1.325 .      A
O63   C603  1.331 1_565  A
O64   C602  1.325 .      A
O65   C602  1.327 .      A
C603  O63   1.331 1_545  A
O67   C610  1.330 1_554  A
O68   C612  1.326 .      A
O69   C611  1.326 .      A
O70   C610  1.330 .      A
O71   C611  1.327 .      A
O72   C612  1.326 .      A
O73   C607  1.330 .      A
O74   C609  1.326 .      A
O75   C607  1.330 .      A
O76   C609  1.326 .      A
O77   C608  1.326 .      A
O78   C608  1.327 .      A
C610  O67   1.330 1_556  A
C615  C616  1.407 .      A
C615  C620  1.394 .      A
C616  C617  1.394 .      A
C617  C618  1.394 .      A
C618  C619  1.407 .      A
C619  C620  1.394 .      A
C621  C622  1.407 .      A
C621  C626  1.394 .      A
C622  C623  1.394 .      A
C623  C624  1.394 .      A
C624  C625  1.407 .      A
C625  C626  1.394 .      A
C631  C632  1.408 .      A
C631  C636  1.393 .      A
C632  C633  1.396 .      A
C633  C634  1.396 .      A
C634  C635  1.407 .      A
C635  C636  1.393 .      A
C637  C638  1.408 .      A
C637  C642  1.393 .      A
C638  C639  1.396 .      A
C639  C640  1.396 .      A
C640  C641  1.407 .      A
C641  C642  1.393 .      A
C645  C646  1.407 .      A
C645  C650  1.394 .      A
C646  C647  1.394 .      A
C647  C648  1.394 .      A
C648  C649  1.408 .      A
C649  C650  1.394 .      A
C651  C652  1.408 .      A
C651  C656  1.394 .      A
C652  C653  1.394 .      A
C653  C654  1.394 .      A
C654  C655  1.407 .      A
C655  C656  1.394 .      A
C661  C662  1.407 .      A
C661  C666  1.393 .      A
C662  C663  1.396 .      A
C663  C664  1.396 .      A
C664  C665  1.408 .      A
C665  C666  1.393 .      A
C667  C668  1.407 .      A
C667  C672  1.393 .      A
C668  C669  1.396 .      A
C669  C670  1.396 .      A
C670  C671  1.408 .      A
C671  C672  1.393 .      A
C675  C676  1.407 .      A
C675  C680  1.393 1_554  A
C676  C677  1.393 1_554  A
C677  C676  1.393 1_556  A
C677  C678  1.394 .      A
C678  C679  1.407 .      A
C679  C680  1.393 .      A
C680  C675  1.393 1_556  A
C681  C682  1.409 .      A
C681  C686  1.398 .      A
C682  C683  1.393 .      A
C684  C685  1.404 .      A
C685  C686  1.394 1_554  A
C686  C685  1.394 1_556  A
C691  C692  1.407 .      A
C691  C696  1.393 .      A
C692  C693  1.396 .      A
C693  C694  1.396 .      A
C694  C695  1.407 .      A
C695  C696  1.393 .      A
C697  C698  1.404 .      A
C697  C702  1.394 .      A
C699  C700  1.395 .      A
C700  C701  1.409 .      A
C701  C702  1.397 .      A
C705  C706  1.407 .      A
C705  C710  1.393 .      A
C706  C707  1.393 .      A
C707  C708  1.393 1_556  A
C708  C707  1.393 1_554  A
C708  C709  1.407 .      A
C709  C710  1.393 1_554  A
C710  C709  1.393 1_556  A
C711  C712  1.407 .      A
C711  C716  1.393 1_554  A
C712  C713  1.393 1_554  A
C713  C712  1.393 1_556  A
C713  C714  1.393 .      A
C714  C715  1.407 .      A
C715  C716  1.393 .      A
C716  C711  1.393 1_556  A
C721  C722  1.407 .      A
C721  C726  1.393 1_554  A
C722  C723  1.396 1_554  A
C723  C722  1.396 1_556  A
C723  C724  1.396 .      A
C724  C725  1.406 .      A
C725  C726  1.393 .      A
C726  C721  1.393 1_556  A
C727  C728  1.407 .      A
C727  C732  1.393 .      A
C728  C729  1.396 .      A
C729  C730  1.396 1_556  A
C730  C729  1.396 1_554  A
C730  C731  1.407 .      A
C731  C732  1.393 1_554  A
C732  C731  1.393 1_556  A
C735  C736  1.407 .      A
C735  C740  1.394 .      A
C736  C737  1.394 .      A
C737  C738  1.394 1_545  A
C738  C737  1.394 1_565  A
C738  C739  1.407 .      A
C739  C740  1.394 1_565  A
C740  C739  1.394 1_545  A
C741  C742  1.407 .      A
C741  C746  1.394 1_565  A
C742  C743  1.394 1_565  A
C743  C742  1.394 1_545  A
C743  C744  1.394 .      A
C744  C745  1.407 .      A
C745  C746  1.394 .      A
C746  C741  1.394 1_545  A
C751  C752  1.408 .      A
C751  C756  1.393 .      A
C752  C753  1.396 .      A
C753  C754  1.396 .      A
C754  C755  1.407 .      A
C755  C756  1.393 .      A
C757  C758  1.407 .      A
C757  C762  1.393 .      A
C758  C759  1.396 .      A
C759  C760  1.396 .      A
C760  C761  1.408 .      A
C761  C762  1.393 .      A
C765  C766  1.408 .      A
C765  C770  1.394 .      A
C766  C767  1.394 .      A
C767  C768  1.394 .      A
C768  C769  1.408 .      A
C769  C770  1.394 .      A
C771  C772  1.408 .      A
C771  C776  1.394 .      A
C772  C773  1.394 .      A
C773  C774  1.394 .      A
C774  C775  1.408 .      A
C775  C776  1.394 .      A
C781  C782  1.407 .      A
C781  C786  1.393 .      A
C782  C783  1.396 .      A
C783  C784  1.396 1_545  A
C784  C783  1.396 1_565  A
C784  C785  1.408 .      A
C785  C786  1.393 1_565  A
C786  C785  1.393 1_545  A
C787  C788  1.407 .      A
C787  C792  1.393 .      A
C788  C789  1.396 .      A
C789  C790  1.396 1_545  A
C790  C789  1.396 1_565  A
C790  C791  1.407 .      A
C791  C792  1.393 1_565  A
C792  C791  1.393 1_545  A
C31   C32   1.211 .      T
C33   C34   1.212 .      T
C35   C36   1.211 .      T
C55   C56   1.211 .      T
C57   C58   1.212 .      T
C59   C60   1.211 .      T
C103  C104  1.212 .      T
C105  C106  1.211 .      T
C107  C108  1.211 .      T
C127  C128  1.212 .      T
C129  C130  1.211 .      T
C131  C132  1.211 .      T
C175  C176  1.210 .      T
C177  C178  1.210 .      T
C179  C180  1.209 .      T
C199  C200  1.210 .      T
C201  C202  1.210 .      T
C203  C204  1.209 .      T
C247  C248  1.209 .      T
C249  C250  1.210 .      T
C251  C252  1.210 .      T
C271  C272  1.209 .      T
C273  C274  1.210 .      T
C275  C276  1.210 .      T
C325  C326  1.210 .      T
C327  C328  1.210 .      T
C329  C330  1.209 .      T
C349  C350  1.210 .      T
C351  C352  1.210 .      T
C353  C354  1.209 .      T
C397  C398  1.210 .      T
C399  C400  1.209 .      T
C401  C402  1.210 .      T
C421  C422  1.210 .      T
C423  C424  1.209 .      T
C425  C426  1.210 .      T
C475  C476  1.211 .      T
C477  C478  1.211 .      T
C479  C480  1.212 .      T
C499  C500  1.211 .      T
C501  C502  1.211 .      T
C503  C504  1.212 .      T
C547  C548  1.212 .      T
C549  C550  1.211 .      T
C551  C552  1.211 .      T
C571  C572  1.212 .      T
C573  C574  1.211 .      T
C575  C576  1.211 .      T
C613  C614  1.243 .      T
C627  C628  1.243 .      T
C629  C630  1.243 .      T
C643  C644  1.243 .      T
C657  C658  1.243 .      T
C659  C660  1.243 .      T
C673  C674  1.242 1_565  T
C674  C673  1.242 1_545  T
C687  C688  1.242 .      T
C689  C690  1.242 .      T
C703  C704  1.242 .      T
C717  C718  1.242 .      T
C719  C720  1.242 .      T
C733  C734  1.243 1_556  T
C734  C733  1.243 1_554  T
C747  C748  1.243 .      T
C749  C750  1.243 .      T
C763  C764  1.243 .      T
C777  C778  1.243 .      T
C779  C780  1.243 .      T
