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# Created using JLigand 1.0.7
# and
# dictionary 5.28 ( 10/04/2011 )
# libcheck 5.1.14 ( 01/10/2010 )
# refmac 5.6.116 ( 06/04/2011 )
#
# Authors: Andrey Lebedev, Paul Young, Alexei Vagin, Garib Murshudov
# E-mail: lebedev@ysbl.york.ac.uk
#
global_
_lib_name mon_lib
_lib_version 5.28
_lib_update 10/04/2011
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
06C 06C '. ' . 5 2 .
data_comp_06C
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
06C I1 I I 0.000 -0.008 0.036 1.942
06C C1 C CH3 0.000 0.001 0.003 -0.220
06C HB H H 0.000 -0.948 -0.309 -0.573
06C HA H H 0.000 0.743 -0.673 -0.560
06C H H H 0.000 0.213 0.974 -0.588
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
06C I1 C1 single 2.162 0.020
06C C1 HB single 1.059 0.020
06C C1 HA single 1.059 0.020
06C C1 H single 1.059 0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
06C I1 C1 HB 109.500 3.000
06C I1 C1 HA 109.500 3.000
06C I1 C1 H 109.500 3.000
06C HB C1 HA 109.470 3.000
06C HB C1 H 109.470 3.000
06C HA C1 H 109.470 3.000
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