src/sample_structures/ibuprofen.xyz

33
3672
O -4.44570000 -1.00320000  0.41130000
O -2.40050000 -1.91140000  0.05310000
C  3.90240000 -0.44110000  0.03620000
C  3.14860000  0.81940000 -0.43130000
C  1.65280000  0.73930000 -0.24720000
C -1.09460000  0.59350000  0.09010000
C -2.57280000  0.51520000  0.27190000
C  3.60760000 -0.77600000  1.50050000
C  3.52390000 -1.62990000 -0.85050000
C  0.86900000  0.22810000 -1.26950000
C  1.08970000  1.17910000  0.94050000
C -0.51350000  0.15490000 -1.09980000
C -0.29290000  1.10570000  1.11020000
C -3.37360000  1.34950000 -0.74860000
C -3.10040000 -0.92330000  0.23320000
H  4.97750000 -0.25270000 -0.07350000
H  3.37890000  1.02420000 -1.48540000
H  3.52980000  1.69070000  0.11820000
H -2.82430000  0.88960000  1.27390000
H  2.57940000 -1.11670000  1.65740000
H  3.79580000  0.08790000  2.14620000
H  4.26580000 -1.58490000  1.83750000
H  4.17780000 -2.48140000 -0.63010000
H  2.49640000 -1.96880000 -0.68630000
H  3.64940000 -1.38950000 -1.91150000
H  1.30840000 -0.10990000 -2.20350000
H  1.70240000  1.58550000  1.73980000
H -1.12080000 -0.24490000 -1.90750000
H -0.72900000  1.45340000  2.04300000
H -3.00120000  2.37920000 -0.78400000
H -3.30320000  0.92940000 -1.75820000
H -4.43570000  1.38950000 -0.48350000
H -4.76390000 -1.93050000  0.37820000