# Details of computing
0: NEDYUQ.cif
1: NEDYUQ01.cif
2: XODPIP.cif


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

	0	1	2
0	0.0000	2.0508	25.9516
1	2.0508	0.0000	24.8324
2	25.9516	24.8324	0.0000