# Details of computing
0: COXYUK.cif
1: DPHEAD20.cif
2: PHYDAN.cif
3: PHYDAN01.cif
4: PHYDAN02.cif
5: RAWQOX.cif


-------------------------------------

	0	1	2	3	4	5
0	0.0000	21.6711	28.0097	28.0574	28.1234	25.2163
1	21.6711	0.0000	19.7673	19.8461	19.6349	25.5030
2	28.0097	19.7673	0.0000	0.1227	0.2241	22.4243
3	28.0574	19.8461	0.1227	0.0000	0.1260	22.4097
4	28.1234	19.6349	0.2241	0.1260	0.0000	22.3338
5	25.2163	25.5030	22.4243	22.4097	22.3338	0.0000