IbuprofenΒΆ
This is an ibuprofen molecule structure expressed in the xyz format. To extract this structure, copy and paste into a new file that ends with the .xyz extension. Ibuprofen is a nosteroidal anti-inflammatory drug.
33
C -1.126000 1.414000 0.052000
C -1.126000 0.019000 0.052000
C 0.082000 -0.678000 0.052000
C 1.290000 0.019000 0.052000
C 1.290000 1.414000 0.052000
C 0.082000 2.111000 0.052000
C -2.422000 -0.730000 0.051000
C -2.145000 -2.227000 0.051000
C -1.346000 -2.596000 1.295000
C -3.465000 -2.987000 0.052000
C 2.587000 2.162000 0.052000
C 3.745000 1.173000 0.052000
C 2.666000 3.029000 -1.181000
O 3.639000 3.718000 -1.373000
O 1.659000 3.034000 -2.062000
H -2.078000 1.964000 0.052000
H 0.082000 -1.778000 0.052000
H 2.243000 -0.531000 0.052000
H 0.082000 3.211000 0.052000
H -3.005000 -0.461000 0.961000
H -3.006000 -0.460000 -0.857000
H -1.561000 -2.496000 -0.857000
H -1.144000 -3.690000 1.295000
H -0.382000 -2.041000 1.294000
H -1.930000 -2.327000 2.204000
H -3.263000 -4.082000 0.052000
H -4.048000 -2.718000 -0.857000
H -4.047000 -2.717000 0.961000
H 2.646000 2.802000 0.960000
H 4.709000 1.730000 0.051000
H 3.686000 0.534000 0.961000
H 3.686000 0.533000 -0.857000
H 1.919000 3.652000 -2.765000