696
XYZ file for : in126 in P2(1)/c
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  N        1.87681        8.50814        1.72859
  C        6.41457        1.20618        1.62723
  C        8.88418        3.55441        1.88189
 Cr       10.34082       -1.54822        1.97765
  C        7.81426       -9.07126        2.17086
  C        5.46759        9.14819        2.02064
  C        5.79300        5.10868        1.75885
  C        4.42860        1.04501        1.62031
  C       -2.67976       -7.67467        1.87700
  C        3.86067       -3.21726        1.68860
  C       -5.06856       -7.83787        2.01652
  O        0.19990       -9.71844        2.06821
  C        5.08606       -2.61031        1.79150
  C       -8.08043       -2.88767        2.04605
  C       -4.86579       -8.24623        2.14090
  C       -7.51251        1.37460        1.97775
  C        8.52160       -2.32363        2.09752
  C       -6.14811        5.43827        2.11629
  C        3.73463       -4.55293        1.98414
  C       -5.52654        1.53577        1.98468
  C        3.14299        8.65092        2.28572
  C       -6.85504       -2.28071        2.14895
  N        7.45330       -2.76002        2.21077
  C       -2.87879       -8.18754        2.27682
  C       -8.20647       -4.22334        2.34159
  C       -1.71795        4.07044        2.01995
  C        4.23026        1.01463        2.04819
  C        6.19157       -3.34486        2.21009
  C       -3.54909       -8.62043        2.40445
  C        6.62151        0.93428        2.21525
  C       11.07295        3.95903        2.70467
  C       -1.63433        7.83622        2.32243
  C       -4.12685       -8.74167        2.52830
  C       -7.71085        1.34423        2.40563
  C       -3.05693        3.88401        2.23934
  C        3.70624        4.63145        2.30543
  C        4.81746       -5.28313        2.44372
  C       -8.23487        4.96104        2.66287
  C        6.06856       -4.69575        2.58469
  C       10.97523       -3.15909        2.96505
 Cr       -1.60029       -1.21863        2.33509
  C       -5.74954       -3.01527        2.56753
  C       -3.41951       -1.99404        2.45496
  C        4.85352        5.32726        2.66437
  C        0.13473       -0.52566        2.39968
  C       -7.12364       -4.95354        2.80116
  C       -5.31960        1.26387        2.57269
  N       -4.48781       -2.43042        2.56821
  O        1.19128       -0.10089        2.45758
  C       -7.08759        5.65685        3.02181
 Ti        5.35160        2.94033        2.79028
  N       11.40219       -4.14143        3.39202
  O        7.13202       -5.33912        3.03984
  C       -5.87255       -4.36616        2.94214
  C        6.32181        0.74879        2.94990
  C        8.35663        3.54375        3.17507
 Ti        8.00153       -7.00032        3.35600
  C        5.60694        9.16341        3.38724
  C        4.45061        0.66315        2.96415
 Ti       -6.58951        3.26992        3.14772
  C       11.89468       -5.38956        3.76258
  O        9.71864       -6.25523        3.60470
  C       13.24036       -5.55670        4.01656
  C       -0.86815        4.28862        3.06211
  C       11.00726       -6.46559        3.82726
  C        9.90794       -0.49072        3.49591
  C       -7.49050        0.99274        3.32159
  N       -2.04941        7.63919        3.38001
  C        4.95222        0.67147        3.20446
  C       13.73122       -6.80868        4.31146
  C       11.54754       -7.71869        4.12487
  C        5.80139        0.62074        3.29613
  O        7.07194        3.36449        3.44295
  C       -5.61929        1.07838        3.30735
  C       12.89002       -7.87977        4.34292
  O       -4.80909       -5.00953        3.39729
  C        3.28021        8.59255        3.68505
  C       -0.96588       -2.82950        3.32249
  C       -6.98889        1.00106        3.56191
  C       10.59479        3.95113        3.99566
  C       -3.58448        3.87334        3.53252
 Ti       -3.93957       -6.67073        3.71345
  C       -6.13971        0.95033        3.65357
  O       -4.86917        3.69408        3.80039
  N       -0.53891       -3.81184        3.74947
  C        4.53440        8.87248        4.21303
  C        9.25301        3.73104        4.22909
  O       -2.22247       -5.92564        3.96214
  C       -2.03317       -0.16112        3.85335
  O        9.63610        0.20459        4.35472
  C       -0.93385       -6.13600        4.18471
  C       -0.04643       -5.05997        4.12002
  O        2.22632        8.28643        4.42508
  C        6.74672       -8.44853        4.74007
  C       -0.39357       -7.38910        4.48231
  C        1.29925       -5.22711        4.37400
  C       -1.34632        4.28072        4.35310
  O        4.49821        3.00133        4.48840
  C       -2.52848        7.55671        4.68438
  C        8.03617       -8.60297        5.09975
  C        0.94891       -7.55018        4.70036
  C        1.79012       -6.47908        4.66891
  C       -2.68810        4.06064        4.58654
  O       -7.44290        3.33092        4.84584
  C       -9.75098        2.74487        5.05789
  C       -3.87026        7.33663        4.91782
  C       -5.19438       -8.11894        5.09752
  C        2.19013        2.41528        4.70044
  C        6.37425       -7.10292        5.12902
  O       -2.30500        0.53418        4.71216
  C        0.92313       10.66702        5.61735
  C       -3.90494       -8.27338        5.45720
  C        8.46993       -7.51110        5.69697
  N        8.77393        3.64857        5.53346
  C       -5.56685       -6.77333        5.48646
  C        1.77231       10.61629        5.70901
  C        3.44432        2.69521        5.22842
  O       -0.34742        7.92326        5.47053
  C       -8.49679        3.02480        5.58587
  C        7.52334       -6.58696        5.71435
  C      -10.82352        2.45394        5.88368
  C        2.27392       10.62461        5.94933
  C        0.40271       10.53897        5.96357
  C        4.51082       -2.97527        5.54992
  C       -1.63210        7.74401        5.73840
  C        3.56422       -2.05113        5.56731
  C        1.11759        2.12435        5.52623
  C       -8.37688       -1.72154        5.92475
  C       -7.43029       -2.64567        5.90737
  C       -3.47117       -7.18151        6.05441
 Ti        1.37293        8.34743        6.12320
  N       -3.16717        3.97816        5.89091
  C       -4.41777       -6.25737        6.07180
  C       -4.34843        7.32872        6.20881
  C        5.65991       -2.45931        6.13526
  C        1.87101        5.96050        6.24910
  C        3.99799       -0.95926        6.16452
  C        0.10302       10.35348        6.69823
  C        8.35886        3.45153        6.59105
  C       -7.94312       -0.62967        6.52197
  C       -6.28120       -2.12972        6.49270
  C        2.49427       10.27312        6.86529
  C      -13.63817       -2.42396        7.31026
  O       -9.54305       -9.43723        7.26700
  C        3.01829        6.65631        6.60805
  O        2.39805       -9.76682        6.90956
  C        5.28744       -1.11370        6.52420
  C      -12.79697       -1.35286        7.27880
  C        3.58153        2.63684        6.62776
  C       -8.35957        2.96643        6.98520
  C      -13.14731       -3.67594        7.60516
  C      -10.68417        2.46916        7.25028
  C       -6.65367       -0.78411        6.88165
  C       -2.15965        7.73334        7.03158
  C        2.29592       10.24275        7.29317
  C        0.30996       10.08158        7.28624
  C      -11.45449       -1.51395        7.49685
  C       -3.58225        3.78112        6.94849
  C        1.25693        2.13957        6.89283
  C       -3.49863        7.54691        7.25097
  C       -1.69707       -2.75355        6.95281
  C       -0.85586       -1.68246        6.92136
  C        0.93153        6.17908        7.15463
  N        4.84772        2.77962        7.18488
  C      -11.80163       -3.84307        7.85914
  C      -10.91421       -2.76705        7.79446
  C        0.48662       -1.84354        7.13941
  O        8.44233        0.02949        7.53300
  C       -1.20620       -4.00553        7.24772
  C        0.98483       10.06041        7.73017
  C       -9.81489       -8.74192        8.12581
  N       -7.09339        3.10921        7.54233
  C       -9.45516        2.71623        7.80619
  C        2.12622       -9.07151        7.76837
  C        1.56470        9.97170        7.87060
  C        1.02690       -3.09664        7.43701
  C        2.48595        2.38663        7.44875
  N      -11.30914       -5.09121        8.22970
  C        5.92045        2.77635        7.62506
  C        0.13948       -4.17266        7.50170
  C        8.17114        1.09518        7.82729
  O       -9.62559       -2.97741        8.01702
  C        2.65252        7.33662        7.83446
  O        2.31552       -3.30700        7.65957
  N        0.63196       -5.42080        7.87225
  C       -6.02066        3.10594        7.98251
 Ti        4.03262       -2.56191        7.90827
  C        1.36791        7.01114        8.07887
  C      -10.88218       -6.07355        8.65667
  O       -3.49878        0.35908        7.89045
 Ti       -7.90848       -2.23231        8.26572
  O        4.90214       -4.22311        8.22443
 Cr        7.74675        2.84916        8.38960
  C        1.05893       -6.40314        8.29923
  C       -3.76996        1.42477        8.18473
  O      -13.03934       -8.80215        9.52159
  O       -7.03896       -3.89352        8.58187
  C        5.96560       -4.86647        8.67958
  C      -11.98279       -8.37738        9.57949
  C        7.21669       -4.27910        8.82056
  C        9.48640        3.08234        9.03295
 Cr       -4.19436        3.17875        8.74705
  C        5.84259       -6.21737        9.05419
  C        7.30725        4.56384        9.08063
  N        4.58086       -6.80221        9.05351
  O       -1.09823       -9.13174        9.16414
  C       -5.97551       -4.53688        9.03703
 Cr      -10.24776       -7.68442        9.64407
  O       10.54562        3.24305        9.42324
  C        8.29953       -5.00929        9.28013
  C       -0.04168       -8.70697        9.22204
  C        3.51256       -7.23860        9.16676
  C       -8.42854       -6.90901        9.52420
  N       -7.36025       -6.47262        9.41095
 Cr        1.69334       -8.01401        9.28663
  C        6.94809       -6.95192        9.47277
  C       -4.72441       -3.94951        9.17801
  C        8.17349       -6.34496        9.57567
  C        4.21990       -0.49097        9.09342
  C       -6.09852       -5.88778        9.41163
  O        7.03243        5.55551        9.56639
  C       -7.72121       -0.16138        9.45086
  C        3.64214       -0.61221        9.21727
  C       -4.63386        4.89343        9.43807
  C       -8.29897       -0.28261        9.57471
  C       -8.96926       -0.71550        9.70234
  C        2.97184       -1.04509        9.34490
  C       -2.45470        3.41193        9.39040
  C        4.95885       -0.98640        9.48082
  C       -3.64158       -4.67970        9.63758
  C       -4.99301       -6.62233        9.83022
  C        5.16161       -1.39477        9.60520
  O       -0.10684        0.48580        9.55351
  C       -6.98226       -0.65681        9.83826
  O       -4.90868        5.88511        9.92383
  C       -9.16829       -1.22838       10.10217
  C       -3.76762       -6.01537        9.93312
  C        7.21590        2.07923       10.00417
  C        2.77281       -1.55797        9.74472
  O       -1.39549        3.57264        9.78068
  C       -6.77950       -1.06518        9.96265
  C       -9.69510       -9.07880       10.75387
  C        2.24600       -9.40840       10.39643
  C       -8.85996       -1.89968       10.44601
  C        4.95301       -2.20918       10.15684
  C        3.08114       -2.22927       10.08856
  C        4.45374       -2.44905       10.20799
  C        3.60592       -2.53349       10.28647
  C       -4.72521        2.40882       10.36161
  C       -6.98810       -1.87959       10.51428
  C       -7.48737       -2.11946       10.56544
  C       -8.33519       -2.20390       10.64391
  C      -10.66397       -6.74328       11.22957
  O       -9.39007       -9.91335       11.46871
  O        2.55103      -10.24294       11.11127
  C       -0.39832       -0.02411       10.53103
  C        1.27714       -7.07287       10.87212
  O        6.92442        1.56932       10.98168
  O       -0.21485       -3.50039       10.96881
  O       -3.72804       -1.18793       11.11196
  O       -5.01669        1.89891       11.33913
  O      -10.92971       -6.21771       12.20372
  C       -0.48967       -2.50871       11.45457
  C       -2.66883       -1.02721       11.50225
  O        1.01140       -6.54730       11.84628
 Cr       -0.92917       -0.79404       12.14559
  C       -1.35357        0.95994       12.70791
  C        0.89713       -0.72122       12.91013
  O       -1.62476        2.02563       13.00220
  C        4.33162       -0.33151       13.08645
  N        1.96986       -0.72450       13.35031
  C        5.56064       -0.08445       13.64237
  C        3.23604       -0.58171       13.90744
  C       -1.54128       -1.39641       13.94415
  C        5.69999       -0.06922       15.00897
  N       -1.95636       -1.59345       15.00174
  C        3.37326       -0.64009       15.30678
  C        4.62745       -0.36016       15.83475
  O        2.31937       -0.94621       16.04680
  C       -2.43544       -1.67592       16.30611
  C       -3.77722       -1.89600       16.53954
  O       -0.25437       -1.30937       17.09225
  C        1.01618        1.43438       17.23907
  C        1.86536        1.38365       17.33074
  C       -1.53906       -1.48863       17.36013
  C        2.36696        1.39197       17.57105
  C        0.49576        1.30633       17.58530
  C       -4.25538       -1.90391       17.83053
 Ti        1.46597       -0.88521       17.74492
  C        1.96406       -3.27213       17.87083
  C        3.11133       -2.57633       18.22977
  C        0.19606        1.12084       18.31995
  C        2.58732        1.04049       18.48701
  C       -2.06660       -1.49929       18.65331
  C        1.02458       -3.05356       18.77635
  C       -3.40558       -1.68573       18.87269
  C        2.38897        1.01011       18.91489
  C        0.40301        0.84895       18.90797
  C        1.07788        0.82777       19.35190
  C        2.74557       -1.89602       19.45618
  C        1.65775        0.73906       19.49232
  C        1.46096       -2.22149       19.70060
