ATOMS MONOS  (file ATLIT: correct structure but approximate coordinates) 
REMARK  coordinates  x     y     z        occ.f.   trial B     peak#
ATOM   S1      0.51686  0.59563  0.35454  1.00000  4.39739     1946$1
ATOM   C1      0.30914  0.52682  0.36727  1.00000  3.96183      589$1
ATOM   C2      0.36121  0.41181  0.41459  1.00000  4.42627      627$1
ATOM   N2      0.49718  0.37123  0.37591  1.00000  3.65871      749$1
ATOM   C3      0.55106  0.44622  0.30820  1.00000  4.36496      490$1
ATOM   C4      0.41498  0.45175  0.24305  1.00000  4.31221      629$1
ATOM   N7      0.27477  0.48935  0.28485  1.00000  3.68058      840$1
ATOM   O8      0.29634  0.36670  0.47532  1.00000  4.68014      869$1
ATOM   O9      0.41941  0.42469  0.16945  1.00000  4.39118      818$1
ATOM   C10    -0.02993  0.64683  0.15019  1.00000  4.49486      590$1
ATOM   C11    -0.08839  0.71792  0.21699  1.00000  4.63026      590$1
ATOM   C12     0.14812  0.56123  0.25047  1.00000  3.68617      589$1
ATOM   C13     0.09162  0.56537  0.16843  1.00000  4.04470      589$1
ATOM   C14     0.04572  0.53903  0.45047  1.00000  4.39148      576$1
ATOM   C15     0.08592  0.63187  0.31348  1.00000  3.98031      569$1
ATOM   C16     0.16955  0.60435  0.39878  1.00000  4.14942      567$1
ATOM   C17    -0.03558  0.71203  0.29442  1.00000  4.49486      536$1
ATOM   C18     0.22327  0.71013  0.44676  1.00000  4.71264      530$1
ATOM   C19     0.71983  0.42900  0.27417  1.00000  4.76981      529$1
ATOM   C20     0.55302  0.25201  0.38946  1.00000  4.72272      470$1
END 
 
