# Details of computing
0: PUQBAF.cif
1: PUQBAF01.cif
2: PUQBAF02.cif
-------------------------------------
0
1
2
0
0.0000
0.2483
0.2523
1
0.2483
0.0000
0.0186
2
0.2523
0.0186
0.0000