43
XYZ file for : pan1 alias k01rdk8a in Pna2(1)(33)
  F       -0.17983        0.06076       -5.89570
  C        0.16620       -0.13461       -4.62220
  F        1.39660        0.28974       -4.47203
  F        0.15738       -1.45894       -4.39302
  O       -2.25531        0.12576       -3.88620
  O       -0.81795        2.08782       -3.83028
  S       -1.01476        0.71703       -3.52968
  F        2.58137       -1.87033       -2.70689
  F        3.42369        0.10651       -2.64483
  F        4.63445       -1.58614       -2.12190
  C        3.40799       -1.06875       -2.04804
  O       -0.56831        0.34751       -2.18393
  C       -2.89092        3.10234       -1.30689
  C       -4.24531       -0.31059       -1.25996
  C       -2.48947       -1.96854       -1.07272
  C       -0.41294       -3.25344       -0.93738
  C       -0.59833        3.28466       -0.54387
  N       -3.08733       -0.76813       -0.45703
  N       -1.89725        2.60336       -0.33056
  S        2.92130       -0.91191       -0.29164
  O        1.56182       -0.37549       -0.39072
  N       -1.27462       -2.24465       -0.30499
  C        1.74296        3.00833        0.15836
  O        2.96126       -2.25291        0.19739
  O        3.87232        0.02215        0.23171
 Pr       -0.66868        0.23539        0.24849
  N        0.33267        2.63203        0.37575
  C       -3.51230       -1.10906        0.91372
  C       -2.35716        2.86082        1.04457
  C       -1.64096       -2.61437        1.07795
  N       -2.28036       -1.40833        1.64555
  C       -0.08151        2.90128        1.75565
  N       -1.37181        2.21953        1.92303
  O        0.41676       -0.16767        2.39765
  C       -2.56114       -1.60412        3.07952
  O        2.70762       -0.44560        3.16410
  C       -1.81413        2.27577        3.32272
  S        1.34450       -0.86249        3.29449
  O        1.08165       -2.26611        3.40758
  F        1.03353        1.14339        4.93316
  C        0.89429       -0.18567        4.92574
  F       -0.33626       -0.47864        5.27485
  F        1.71829       -0.67769        5.85850
