92
XYZ file for : shelxl in space group P ?  Lattice type P assumed
  H        8.68586        0.30170       -4.55005
  H       -6.67868        1.58292       -4.49724
 Cl        6.82080       -0.90853       -3.99209
  C        8.39579       -0.17938       -3.69564
  H       -4.50779        1.15228       -3.88757
  C       -6.48855        1.30778       -3.63012
 Br       -9.27409        1.57099       -3.26097
  H        8.90584       -0.89188       -3.30215
  C       -5.19450        1.04616       -3.27016
  H        1.96631        6.66117       -2.80491
  C       -7.49472        1.16723       -2.73153
  H        1.46159        4.39719       -2.72436
 Cl        8.36548        0.90542       -2.33119
  H       -1.33424       -7.90268       -1.95466
  C        1.60078        6.29031       -2.03421
  H       -0.91924       -5.65651       -2.06420
  H       -3.70826        3.05530       -2.04771
  C        1.32173        4.92874       -1.97400
  C       -4.90980        0.62015       -1.97036
  H       -4.94139       -2.08331       -1.80502
  C       -2.89058        2.71971       -1.75858
  H       -1.67271        4.35825       -1.63941
  C       -7.25580        0.79105       -1.40828
  C       -3.49709        0.29473       -1.56616
  C       -1.76809        3.43891       -1.53458
  C       -4.07355       -2.12846       -1.47441
  C       -1.48694       -7.36051       -1.21425
 Br        1.59270        8.95099       -1.04106
  C       -2.59584        1.34483       -1.46887
  C       -1.24253       -6.02525       -1.27366
  C       -3.19115       -1.01861       -1.27244
  H       -3.77196       -4.10371       -1.12137
  C        1.33861        7.06030       -0.96730
  C       -5.95091        0.48531       -1.06636
  C       -3.43341       -3.23790       -1.10543
  H       -7.94296        0.74789       -0.78335
  C       -0.75960        2.52680       -1.10851
  N       -1.27488        1.23973       -1.09301
  H        5.14417       -1.02200       -0.79923
  C        0.84252        4.35969       -0.81807
  N       -1.97867       -1.49740       -0.81542
  C        0.52888        2.90555       -0.76062
  C       -2.10917       -2.84272       -0.67704
 Br       -2.21639       -9.78994        0.03496
  H        7.31927       -1.58684       -0.22275
 Mn       -0.31185       -0.41947       -0.50305
  C       -1.96231       -7.89925       -0.03880
  H       -5.76786        0.18305       -0.20687
  C       -1.46621       -5.19864       -0.18803
  C        1.48548        2.00377       -0.32906
  C       -1.15257       -3.74450       -0.24548
  N        1.35497        0.65845       -0.19068
  C        5.32722       -1.32425        0.06026
  C        0.86325        6.52156        0.20815
  H        3.14827        3.26476        0.11527
  C        2.80972        2.39895        0.09933
  C        0.13591       -3.36574        0.10241
  N        0.65119       -2.07868        0.08691
  C        0.61884        5.18630        0.26756
  C        6.63211       -1.63000        0.40218
  C        2.56746        0.17967        0.26634
  C        3.44986        1.28951        0.46831
  C        1.14440       -4.27786        0.52848
  C        1.97215       -2.18378        0.46277
  H        1.04901       -5.19720        0.63331
  C        2.87340       -1.13368        0.56006
  H        0.71055        7.06373        0.94856
  C        2.26689       -3.55866        0.75248
  H        4.31770        1.24436        0.79892
  C       -2.22447       -7.12926        1.02811
  C       -1.94543       -5.76769        0.96790
  C        4.28610       -1.45910        0.96426
  H        3.08456       -3.89425        1.04161
  H        0.29555        4.81756        1.05810
  H       -2.59000       -7.50012        1.79880
  C        6.87103       -2.00618        1.72543
  H       -2.08529       -5.23614        1.71826
  N       -0.92801        0.09040        1.64288
  N       -2.40347        3.85462        1.81494
 Br        8.65040       -2.40993        2.25487
  C        4.57081       -1.88511        2.26406
  C        5.86486       -2.14672        2.62401
  C       -0.71249        0.75345        2.54159
  C       -1.76948        3.42698        2.68155
  H        3.88410       -1.99123        2.88147
  H        6.05499       -2.42187        3.49114
  C       -0.45464        1.58710        3.65348
  C       -0.97639        2.91713        3.72250
  C        0.33844        1.07725        4.69443
  C       -0.71854        3.75078        4.83439
  N        0.97244        0.64961        5.56105
  N       -0.50302        4.41383        5.73310
