46
XYZ file for : shelx in C2/c
  H       -1.56764        2.50898       -4.90678
  H        0.61338        3.22409       -4.59356
  C       -1.06054        2.15883       -4.18361
  C        0.23650        2.57463       -4.01150
  H       -2.54859        0.96360       -3.46660
  C       -1.65002        1.23788       -3.32575
  C        0.98437        2.04158       -2.98832
  H        1.88783        2.30979       -2.86858
  C       -0.91981        0.71690       -2.25738
  C        0.41438        1.10934       -2.13017
 Cl       -4.47213       -1.06312       -1.73582
  H       -3.57722        2.21937       -1.61988
  O       -1.43301       -0.15620       -1.39537
  N        1.18475        0.53592       -1.11584
  O        4.76142       -2.26428       -0.63270
  C       -3.52593        1.94112       -0.71294
  H       -3.13290       -3.26611       -0.55353
  H       -5.44586        1.22838       -0.27514
  H       -0.77174       -2.49356       -0.31712
  C        1.86168        0.08716       -0.29040
  C       -4.55997        1.38272        0.03124
 Ti       -2.86585       -0.31736       -0.15119
  H       -1.55878        2.37558       -0.14522
  C        4.10422       -1.60301        0.01412
  C       -2.79921       -2.69495        0.12828
  C       -2.40361        2.02041        0.10498
  O        4.85628        1.82706        0.36060
  C       -1.49492       -2.26117        0.25345
  C        4.18611        0.96521        0.69919
  C       -3.54490       -2.14882        1.17810
  H       -4.47572       -2.27063        1.32471
  C       -4.07496        1.08974        1.29891
 Cr        3.07444       -0.49381        1.18355
  C       -2.72877        1.48787        1.36096
  C       -1.42504       -1.41894        1.36829
  C        2.01831       -2.01236        1.57934
  H       -0.65600       -0.94591        1.66390
  H       -4.56916        0.68840        2.00404
  O        1.42194       -2.94728        1.84702
  C       -2.68357       -1.39575        1.96996
  H       -2.14995        1.41107        2.11023
  C        2.03526        0.57380        2.36784
  C        4.20685       -0.93800        2.61402
  H       -2.91142       -0.94664        2.77538
  O        1.41331        1.18937        3.08524
  O        4.88243       -1.22449        3.48591
