# Details of computing
0: IJOQED.cif
1: IJOQED01.cif
2: SAGYOQ.cif


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

	0	1	2
0	0.0000	57.9155	32.7491
1	57.9155	0.0000	33.7369
2	32.7491	33.7369	0.0000