# Details of computing
0: MOKRUA.cif
1: MOLKEE.cif
2: XEBYUA.cif
3: XEBYUA01.cif


-------------------------------------
0123
00.0000 66.1922 77.3252 77.6608
166.1922 0.0000 67.3871 67.0677
277.3252 67.3871 0.0000 0.1338
377.6608 67.0677 0.1338 0.0000