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Category geom_bond
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Category Description
Data items in the GEOM_BOND category record details about
molecular and crystal bonds, as calculated from the contents
of the ATOM, CELL, and SYMMETRY data.
Category Examples
Example 1:
Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [(1991).
Acta Cryst. C47, 2276-2277].
loop_
_geom_bond.atom_site_id_1
_geom_bond.atom_site_id_2
_geom_bond.dist
_geom_bond.site_symmetry_1
_geom_bond.site_symmetry_2
_geom_bond.publ_flag
O1 C2 1.342(4) 1_555 1_555 yes
O1 C5 1.439(3) 1_555 1_555 yes
C2 C3 1.512(4) 1_555 1_555 yes
C2 O21 1.199(4) 1_555 1_555 yes
C3 N4 1.465(3) 1_555 1_555 yes
C3 C31 1.537(4) 1_555 1_555 yes
C3 H3 1.00(3) 1_555 1_555 ?
N4 C5 1.472(3) 1_555 1_555 yes
# - - - - data truncated for brevity - - - -
Key Category Items
Items in Category geom_bond
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This HTML dictionary was created using the
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at the
Resource Collaboratory for Structural Bioinformatics
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
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