# Details of computing
0: AGULIZ.cif
1: AGUTON.cif
2: AGUTUT.cif
3: KITREK.cif
-------------------------------------
0
1
2
3
0
0.0000
62.3435
46.3489
70.9312
1
62.3435
0.0000
64.9601
46.4799
2
46.3489
64.9601
0.0000
72.3384
3
70.9312
46.4799
72.3384
0.0000