34
b_butyl_DFTG.xyz                                  
Zr         0.250554 -0.786126  0.908415
C          2.388634 -0.984721  1.671202
C          3.153832  1.436288  2.198669
H          2.436095 -1.067539 -1.446834
C          1.444940 -0.646091 -1.314283
C          1.145990  0.691748 -0.955944
H          0.100970 -2.352059 -1.861591
H          1.868826  1.477787 -0.758922
C         -0.267035  0.850620 -0.966417
H         -0.807128  1.774134 -0.767342
C         -0.844009 -0.390328 -1.324988
H         -1.902687 -0.582973 -1.469318
C          0.213677 -1.324565 -1.525759
H          0.664749 -3.246228  2.953985
C         -0.147716 -2.621365  2.598224
C         -0.974934 -2.886528  1.472120
H         -0.217376 -0.975166  4.109107
H         -0.908122 -3.754426  0.820966
C         -1.970331 -1.869631  1.408196
H         -2.787011 -1.820195  0.694759
C         -1.742103 -0.967571  2.474579
H         -2.342960 -0.091998  2.712054
C         -0.616052 -1.430988  3.207833
H          3.172975 -0.897390  0.911909
H          2.598280 -1.819723  2.346202
C          2.122791  0.314684  2.386913
H          1.122519  0.815665  2.043884
H          1.928213  0.161060  3.457969
H          4.101653  1.056001  2.612150
C          2.767655  2.741006  2.885509
H          3.329761  1.598206  1.124861
H          3.557561  3.493083  2.762505
H          2.617195  2.591839  3.963907
H          1.840774  3.161192  2.467887
