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