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Figure 1
Structures, numbering and dipole moments of model molecules of purine (Pu), hypoxanthine (Hx), 2-aminopurine (Ap) and guanine (Gu). Hirshfeld charges are labelled on the atomic sites of the structure. The dipole moment of Gu is given by 6.26 D based on the MP2/aug-cc-pVDZ model (Choi & Miller, 2006BB9).

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 16| Part 4| May 2009| Pages 545-552
doi:10.1107/S0909049509017063
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