                         Input orientation:
---------------------------------------------------------------------
Center     Atomic      Atomic             Coordinates (Angstroms)
Number     Number       Type             X           Y           Z
---------------------------------------------------------------------
     1         29           0        0.279500    6.926900    7.415200
     2          7           0        1.035900    5.764100    6.021100
     3          6           0        1.559700    6.183000    4.741800
     4          1           0        2.280400    6.872000    4.860600
     5          8           0        1.725500    3.820400    5.087000
     6          9           0       -1.028300    9.617900   10.184100
     7          9           0       -2.779300    9.416900    9.666300
     8          8           0       -0.809800    3.133400    9.006300
     9          7           0       -0.254100    5.361900    8.569700
    10          6           0        2.121200    4.926300    4.355900
    11          1           0        1.884400    4.761900    3.402500
    12          1           0        3.104400    4.989500    4.404500
    13          6           0        1.101300    4.289500    6.183600
    14          8           0       -1.281000    7.808300    8.092500
    15          9           0       -2.055400   11.042200    9.107900
    16          8           0        1.191800    8.445000    6.894300
    17          9           0       -2.414200   10.539500    6.782700
    18          6           0        0.379600    3.418200    7.087300
    19          9           0       -0.455600   11.109200    7.148200
    20          6           0       -0.245800    4.289500    8.082300
    21          6           0       -1.389500    3.786900    9.737400
    22          1           0       -1.240500    3.421500   10.649100
    23          1           0       -2.350100    3.683100    9.539300
    24          9           0       -0.775800    9.383400    5.960200
    25          9           0        2.371000   10.891400    6.386700
    26          6           0       -1.083100    5.345200    9.808500
    27          1           0       -1.883100    5.947700    9.783400
    28          9           0        4.120300    9.333100    5.604800
    29          9           0        4.210400   10.640100    7.199000
    30          9           0        4.001800    9.132000    9.260200
    31          9           0        1.937100    7.875300    9.402300
    32          9           0        1.940600   10.020100    9.107900
    33          6           0        0.599600    6.635400    3.787300
    34          6           0        0.376700    7.975900    3.533500
    35          1           0        0.883300    8.636600    3.996900
    36          6           0       -0.595200    8.361200    2.619600
    37          1           0       -0.740700    9.284800    2.441900
    38          6           0       -1.328200    7.406200    1.939400
    39          1           0       -1.993100    7.662400    1.312900
    40          6           0       -1.115600    6.048900    2.193200
    41          1           0       -1.621500    5.391700    1.738900
    42          6           0       -0.146600    5.663500    3.117200
    43          1           0        0.002400    4.743500    3.293900
    44          6           0       -0.186600    2.429600    6.254700
    45          1           0       -0.020400    1.544300    6.646200
    46          1           0        0.223300    2.473000    5.366000
    47          1           0       -1.150700    2.576900    6.179900
    48          6           0        1.558500    3.267400    7.463000
    49          1           0        1.752200    2.305300    7.549500
    50          1           0        1.681600    3.696500    8.337200
    51          1           0        2.172300    3.663200    6.814400
    52          6           0        0.119200    5.780800   10.915200
    53          6           0        1.289700    5.077100   11.108100
    54          1           0        1.434800    4.255900   10.640900
    55          6           0        2.263200    5.546200   11.981300
    56          1           0        3.067400    5.061000   12.111200
    57          6           0        2.055900    6.752700   12.661600
    58          1           0        2.720900    7.071600   13.257000
    59          6           0        0.885400    7.456400   12.468700
    60          1           0        0.741700    8.277100   12.932500
    61          6           0       -0.088100    6.987300   11.595500
    62          1           0       -0.890900    7.472000   11.462200
    63          6           0       -1.147000    9.165500    8.265100
    64          1           0       -0.171200    9.231500    8.493700
    65          6           0       -1.203100    9.969800    7.117700
    66          6           0       -1.664400    9.819000    9.239800
    67          6           0        2.357700    8.813700    7.209100
    68          1           0        2.865500    7.973900    7.012500
    69          6           0        3.287600    9.869300    6.539000
    70          6           0        2.748500    9.031500    8.823500
---------------------------------------------------------------------

## Split Here ##
                         Input orientation:
---------------------------------------------------------------------
Center     Atomic      Atomic             Coordinates (Angstroms)
Number     Number       Type             X           Y           Z
---------------------------------------------------------------------
     1         29           0        0.296471    6.919913    7.409513
     2          7           0        1.055803    5.746959    6.024941
     3          6           0        1.580514    6.174627    4.742234
     4          1           0        2.307171    6.875915    4.866360
     5          8           0        1.756329    3.813272    5.078232
     6          9           0       -1.042111    9.633891   10.239131
     7          9           0       -2.835038    9.320255    9.687573
     8          8           0       -0.819141    3.144563    9.007683
     9          7           0       -0.252246    5.364821    8.569958
    10          6           0        2.159368    4.915050    4.336729
    11          1           0        1.921458    4.745340    3.370005
    12          1           0        3.159164    4.980251    4.384355
    13          6           0        1.130369    4.287648    6.175998
    14          8           0       -1.268064    7.804839    8.082836
    15          9           0       -2.148351   11.034688    9.139504
    16          8           0        1.222723    8.431971    6.880452
    17          9           0       -2.505174   10.487368    6.761927
    18          6           0        0.398262    3.413035    7.080467
    19          9           0       -0.551174   11.132631    7.108172
    20          6           0       -0.243040    4.279948    8.078175
    21          6           0       -1.426303    3.820640    9.764769
    22          1           0       -1.286725    3.461170   10.699273
    23          1           0       -2.407082    3.730954    9.562066
    24          9           0       -0.838006    9.390362    5.924021
    25          9           0        2.415956   10.864252    6.329001
    26          6           0       -1.089200    5.371463    9.810723
    27          1           0       -1.889034    5.994469    9.772000
    28          9           0        4.142088    9.288920    5.575575
    29          9           0        4.249803   10.602576    7.177783
    30          9           0        4.024495    9.096403    9.257983
    31          9           0        1.975977    7.861169    9.400206
    32          9           0        1.983719   10.003905    9.126034
    33          6           0        0.599155    6.637814    3.793947
    34          6           0        0.375652    7.984722    3.565652
    35          1           0        0.900499    8.650802    4.046555
    36          6           0       -0.605306    8.389577    2.668222
    37          1           0       -0.753235    9.338382    2.505483
    38          6           0       -1.348996    7.448162    1.978062
    39          1           0       -2.035739    7.724190    1.348551
    40          6           0       -1.137201    6.086109    2.205563
    41          1           0       -1.662649    5.422661    1.733457
    42          6           0       -0.159824    5.680950    3.112006
    43          1           0       -0.010488    4.734886    3.272723
    44          6           0       -0.185068    2.414563    6.239475
    45          1           0       -0.022983    1.512203    6.637374
    46          1           0        0.227985    2.451845    5.333859
    47          1           0       -1.166045    2.569183    6.163695
    48          6           0        1.619437    3.254300    7.475205
    49          1           0        1.825514    2.277156    7.564582
    50          1           0        1.751081    3.688350    8.364390
    51          1           0        2.257990    3.652122    6.824031
    52          6           0        0.101810    5.800996   10.911190
    53          6           0        1.258223    5.074981   11.117495
    54          1           0        1.392679    4.226652   10.650760
    55          6           0        2.236203    5.536944   11.990643
    56          1           0        3.049301    5.025705   12.133730
    57          6           0        2.049005    6.754881   12.655357
    58          1           0        2.733241    7.075849   13.264751
    59          6           0        0.891397    7.480199   12.448095
    60          1           0        0.758164    8.328108   12.911675
    61          6           0       -0.086796    7.018476   11.574955
    62          1           0       -0.898785    7.528547   11.427816
    63          6           0       -1.169619    9.168707    8.249855
    64          1           0       -0.181126    9.271712    8.469515
    65          6           0       -1.266242    9.971924    7.080231
    66          6           0       -1.718338    9.808314    9.273743
    67          6           0        2.402483    8.790218    7.201352
    68          1           0        2.920214    7.935341    7.009142
    69          6           0        3.325013    9.839439    6.511256
    70          6           0        2.777815    9.005760    8.814732
---------------------------------------------------------------------

## Split Here ##
                         Input orientation:
---------------------------------------------------------------------
Center     Atomic      Atomic             Coordinates (Angstroms)
Number     Number       Type             X           Y           Z
---------------------------------------------------------------------
     1         35           0        0.000000    0.000000    0.000000
---------------------------------------------------------------------

## Match ##
                        Standard orientation:
---------------------------------------------------------------------
Center     Atomic      Atomic             Coordinates (Angstroms)
Number     Number       Type             X           Y           Z
---------------------------------------------------------------------
     1         35           0        0.000000    0.000000    0.000000
---------------------------------------------------------------------

## Split Here ##
                         Input orientation:
---------------------------------------------------------------------
Center     Atomic      Atomic             Coordinates (Angstroms)
Number     Number       Type             X           Y           Z
---------------------------------------------------------------------
     1          6           0       -3.606217    1.071669   -0.286530
     2          6           0       -4.179436    1.708236    0.838968
     3          6           0       -3.400007    1.960188    1.976569
     4          6           0       -2.045206    1.578230    2.009596
     5          6           0       -1.468720    0.941045    0.895361
     6          6           0       -2.244445    0.688511   -0.245248
     7          6           0       -4.365241    0.760039   -1.508704
     8          1           0       -5.228537    2.018134    0.823471
     9          1           0       -1.797450    0.196370   -1.116089
    10          1           0       -1.441954    1.776754    2.901710
    11          7           0       -5.676371    0.850515   -1.596708
    12          6           0       -6.429274    0.464853   -2.795849
    13          1           0       -6.205053    1.496831   -0.955511
    14          6           0       -7.638575   -0.410072   -2.433762
    15          1           0       -5.748513   -0.063780   -3.484049
    16          1           0       -6.763880    1.392186   -3.298438
    17          1           0       -8.263354    0.124716   -1.692839
    18          1           0       -7.279691   -1.335706   -1.944107
    19          8           0       -3.649537    2.481715   -2.734972
    20          1           0       -3.866087    0.147583   -2.265190
    21          1           0       -2.775261    2.714348   -2.363282
    22          8           0       -5.232116    4.144002   -1.880881
    23          1           0       -4.412880    3.310758   -2.328927
    24          1           0       -5.572496    4.665151   -2.632722
    25          8           0       -7.065731    2.972616   -0.596868
    26          1           0       -6.333984    3.538407   -1.119254
    27          1           0       -7.158693    3.376431    0.286463
    28          6           0       -8.488878   -0.762639   -3.666325
    29          1           0       -8.836063    0.172048   -4.147880
    30          1           0       -7.855511   -1.281690   -4.412031
    31          1           0       -0.416284    0.640035    0.916010
    32          1           0       -3.851404    2.456315    2.841945
    33          6           0       -9.698670   -1.642348   -3.314963
    34          1           0      -10.296442   -1.882451   -4.212084
    35          1           0       -9.378512   -2.596945   -2.858321
    36          1           0      -10.364089   -1.133423   -2.593745
---------------------------------------------------------------------

## Split Here ##
                         Input orientation:
---------------------------------------------------------------------
Center     Atomic      Atomic             Coordinates (Angstroms)
Number     Number       Type             X           Y           Z
---------------------------------------------------------------------
     1         29           0        0.782688    6.340062    6.848290
     2          7           0        2.514340    5.318250    6.486987
     3          6           0        2.994901    5.125940    5.088915
     4          1           0        3.237219    6.103380    4.675311
     5          8           0        4.197028    3.864565    6.709746
     6          8           0        1.178366    3.759106   10.196881
     7          7           0        0.643340    5.213270    8.585707
     8          6           0        4.275479    4.287483    5.308326
     9          1           0        4.341679    3.389507    4.694356
    10          1           0        5.187692    4.879262    5.202506
    11          6           0        3.194461    4.555971    7.263004
    12          8           0        1.334911    7.785553    5.653778
    13          6           0        3.016990    4.418567    8.762332
    14          6           0        1.544379    4.477352    9.129346
    15          6           0       -0.264392    3.946010   10.352218
    16          1           0       -0.460385    4.160424   11.402559
    17          1           0       -0.745819    3.011525   10.055634
    18          9           0        2.187214   10.138355    4.355185
    19          6           0       -0.592581    5.118403    9.392408
    20          1           0       -1.421844    4.862957    8.731457
    21          9           0        3.182779    8.309288    3.721517
    22          9           0        4.233167    9.738240    4.981787
    23          9           0        3.459230   10.005392    7.521897
    24          9           0        1.978482    8.603214    8.285085
    25          9           0        1.356585   10.256026    7.010149
    26          6           0        2.502944    8.403640    5.985954
    27          1           0        3.328945    7.728015    6.283611
    28          6           0        3.026576    9.166188    4.759444
    29          6           0        2.326379    9.344255    7.192715
    30          6           0       -1.148283    6.692603    6.639771
    31          6           0       -2.335123    6.854189    6.380970
    32          6           0       -3.752602    7.011556    6.044362
    33          6           0       -4.003465    8.255205    5.158912
    34          1           0       -5.043880    8.589759    5.223398
    35          1           0       -3.319163    9.078400    5.356119
    36          8           0       -4.110038    5.950070    5.095581
    37          8           0       -3.757608    7.751112    3.832129
    38          6           0       -3.929758    6.408639    3.834254
    39          8           0       -3.937624    5.721358    2.849421
    40          6           0       -4.635697    6.899553    7.275547
    41          6           0       -4.914797    8.034691    8.045075
    42          6           0       -5.115641    5.649751    7.685596
    43          6           0       -5.679893    7.922491    9.208061
    44          1           0       -4.528840    9.005857    7.747711
    45          6           0       -5.871439    5.539830    8.854635
    46          1           0       -4.915808    4.772882    7.081476
    47          6           0       -6.155502    6.674882    9.619247
    48          1           0       -5.900139    8.811178    9.793217
    49          1           0       -6.244139    4.566377    9.163274
    50          1           0       -6.746306    6.588629   10.527025
    51          1           0       -1.548574    4.854131    5.786515
    52          8           0       -1.738864    3.980159    5.380894
    53          6           0       -2.271135    3.138692    6.348560
    54          1           0       -2.717710    3.669407    7.198239
    55          6           0       -3.391491    2.320287    5.698299
    56          6           0       -1.185030    2.210075    6.924850
    57          9           0       -2.999359    1.765762    4.538997
    58          9           0       -4.457985    3.100000    5.439400
    59          9           0       -3.802876    1.325143    6.518701
    60          9           0       -1.597162    1.632308    8.079178
    61          9           0       -0.070866    2.915068    7.207209
    62          9           0       -0.832792    1.222115    6.079833
    63          6           0        1.900779    4.494547    4.248251
    64          6           0        1.115997    5.314191    3.426290
    65          6           0        1.613160    3.125755    4.327858
    66          6           0        0.075895    4.765713    2.672838
    67          1           0        1.312950    6.382072    3.405533
    68          6           0        0.577009    2.578347    3.570760
    69          1           0        2.189868    2.483464    4.989818
    70          6           0       -0.190444    3.396784    2.739259
    71          1           0       -0.533829    5.410586    2.045694
    72          1           0        0.352870    1.518799    3.650280
    73          1           0       -1.011897    2.973004    2.168037
    74          6           0       -0.889315    6.432600   10.089317
    75          6           0       -2.206854    6.894813   10.180592
    76          6           0        0.140719    7.182706   10.673660
    77          6           0       -2.492554    8.083229   10.856351
    78          1           0       -3.012101    6.332031    9.715918
    79          6           0       -0.143685    8.374426   11.341987
    80          1           0        1.170610    6.846065   10.595635
    81          6           0       -1.462859    8.826925   11.437408
    82          1           0       -3.519616    8.430075   10.915751
    83          1           0        0.664900    8.950282   11.784598
    84          1           0       -1.685217    9.755264   11.956835
    85          6           0        3.663957    3.120544    9.278541
    86          1           0        3.194084    2.236338    8.837757
    87          1           0        4.726511    3.112104    9.027555
    88          1           0        3.562299    3.064091   10.364276
    89          6           0        3.693702    5.660923    9.417609
    90          1           0        3.245587    6.587385    9.049067
    91          1           0        3.577411    5.612282   10.504774
    92          1           0        4.763169    5.661761    9.183349
---------------------------------------------------------------------

## Split Here ##
                         Input orientation:                          
---------------------------------------------------------------------
Center     Atomic      Atomic             Coordinates (Angstroms)
Number     Number       Type             X           Y           Z
---------------------------------------------------------------------
     1          8           0        3.172005    0.493054    0.074632
     2          6           0        2.188325   -0.406759    0.555731
     3          6           0        0.823170   -0.231589   -0.108060
     4          6           0       -0.181857   -1.259750    0.423661
     5          6           0       -1.559847   -1.094423   -0.224878
     6          6           0       -2.090642    0.332645   -0.056377
     7          6           0       -1.089341    1.363716   -0.585717
     8          6           0        0.285386    1.192674    0.066936
     9          1           0        3.277146    0.326856   -0.869730
    10          1           0        2.523976   -1.451086    0.446496
    11          1           0        2.104765   -0.201836    1.628949
    12          1           0        0.948838   -0.418040   -1.189248
    13          1           0       -0.276734   -1.131334    1.512419
    14          1           0        0.195092   -2.277343    0.258182
    15          1           0       -2.264568   -1.816235    0.204213
    16          1           0       -1.482874   -1.327237   -1.296534
    17          1           0       -2.274426    0.524439    1.010484
    18          1           0       -3.054838    0.440484   -0.566941
    19          1           0       -0.990483    1.245502   -1.674490
    20          1           0       -1.463228    2.379701   -0.412992
    21          1           0        1.004306    1.910458   -0.340377
    22          1           0        0.205830    1.405905    1.143543
---------------------------------------------------------------------

## Match ##
                       Standard orientation:                         
---------------------------------------------------------------------
Center     Atomic      Atomic             Coordinates (Angstroms)
Number     Number       Type             X           Y           Z
---------------------------------------------------------------------
     1          8           0        2.951896    0.433176   -0.129263
     2          6           0        2.002498   -0.550307    0.245102
     3          6           0        0.584207   -0.244007   -0.234044
     4          6           0       -0.383884   -1.363656    0.164840
     5          6           0       -1.813687   -1.070212   -0.300291
     6          6           0       -2.301744    0.288369    0.212271
     7          6           0       -1.337088    1.410352   -0.183332
     8          6           0        0.089755    1.110449    0.284921
     9          1           0        2.964953    0.468735   -1.093142
    10          1           0        2.308437   -1.547617   -0.111252
    11          1           0        2.023699   -0.574921    1.340418
    12          1           0        0.604489   -0.199539   -1.337283
    13          1           0       -0.373800   -1.466367    1.260392
    14          1           0       -0.041663   -2.322925   -0.244620
    15          1           0       -2.487237   -1.867936    0.033972
    16          1           0       -1.841776   -1.073217   -1.399279
    17          1           0       -2.381132    0.251955    1.308230
    18          1           0       -3.307664    0.497915   -0.170080
    19          1           0       -1.343035    1.523054   -1.277150
    20          1           0       -1.675607    2.366541    0.232552
    21          1           0        0.779418    1.899715   -0.030342
    22          1           0        0.115403    1.093262    1.384888
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