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Selected Example Extracts from CNS Deposition macro output
data_r9icysf
loop_
_database_2.database_code
_database_2.database_id
pdb_sf 'R9ICYSF'
pdb_coords '9ICY'
_audit.creation_date '1996-10-24'
loop_
_audit_author.name
"PELLETIER,H."
"SAWAYA,M.R."
#COMPND MOL_ID: 1;
.
#SOURCE MOL_ID: 1;
.
#AUTHOR H.PELLETIER,M.R.SAWAYA
#REMARK 2
#REMARK 2 RESOLUTION. 3.0 ANGSTROMS.
#REMARK 3
.
#REMARK 200
.
#REMARK 280 CRYSTAL
.
#REMARK 290
.
#CRYST1 180.827 57.645 48.167 90.00 90.00 90.00 P 21 21 2 4
loop_
_refln.index_h
_refln.index_k
_refln.index_l
_refln.F_meas_au
_refln.F_meas_sigma_au
0 0 4 27.10 0.40
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