# Details of computing
0: AJAKOL.cif
1: PUPBAD.cif
2: PUPBAD01.cif
3: PUPBAD02.cif


-------------------------------------
0123
00.0000 17.7743 20.6908 17.9622
117.7743 0.0000 13.5809 17.7138
220.6908 13.5809 0.0000 10.1583
317.9622 17.7138 10.1583 0.0000