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|
global_
_lib_name ?
_lib_version ?
_lib_update ?
# ------------------------------------------------
#
# --- LIST OF MONOMERS ---
#
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
GBX GBX '"2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMO' non-polymer 68 43 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GBX
#
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
GBX O8 O O 0.000 0.000 0.000 0.000
GBX C8 C C 0.000 -0.574 -0.072 1.060
GBX C9 C CH1 0.000 -1.626 0.936 1.489
GBX H9 H H 0.000 -1.803 1.654 0.677
GBX O9 O OH1 0.000 -1.184 1.631 2.657
GBX HO9 H H 0.000 -0.366 2.106 2.458
GBX C10 C CH1 0.000 -2.917 0.183 1.799
GBX H10 H H 0.000 -3.632 0.878 2.262
GBX "C3'" C CR6 0.000 -2.693 -0.977 2.728
GBX C13 C CR66 0.000 -3.777 -1.419 3.499
GBX "C4'" C CR16 0.000 -5.077 -0.758 3.412
GBX "H4'" H H 0.000 -5.209 0.092 2.754
GBX C12 C CR66 0.000 -3.622 -2.524 4.366
GBX C17 C CR66 0.000 -4.717 -2.971 5.125
GBX C18 C CR66 0.000 -4.570 -4.077 5.995
GBX "C9'" C CR16 0.000 -3.278 -4.749 6.101
GBX "H9'" H H 0.000 -3.164 -5.595 6.767
GBX "C8'" C CR16 0.000 -5.669 -4.509 6.739
GBX "H8'" H H 0.000 -5.570 -5.356 7.408
GBX "C7'" C CR16 0.000 -6.884 -3.859 6.626
GBX "H7'" H H 0.000 -7.728 -4.205 7.210
GBX C16 C CR66 0.000 -5.965 -2.315 5.020
GBX "C6'" C CR16 0.000 -7.042 -2.778 5.783
GBX "H6'" H H 0.000 -8.004 -2.286 5.711
GBX "C5'" C CR16 0.000 -6.114 -1.206 4.153
GBX "H5'" H H 0.000 -7.074 -0.710 4.081
GBX C11 C CR66 0.000 -2.372 -3.180 4.469
GBX C9A C CR16 0.000 -2.225 -4.320 5.371
GBX H9A H H 0.000 -1.269 -4.822 5.454
GBX "C1'" C CR16 0.000 -1.303 -2.722 3.704
GBX "H1'" H H 0.000 -0.341 -3.212 3.773
GBX "C2'" C CR6 0.000 -1.468 -1.629 2.845
GBX C7 C C 0.000 -0.301 -1.166 2.054
GBX O7 O O 0.000 0.807 -1.641 2.203
GBX SG2 S S2 0.000 -3.621 -0.435 0.245
GBX CB2 C CH2 0.000 -3.828 1.128 -0.650
GBX HB21 H H 0.000 -2.856 1.613 -0.765
GBX HB22 H H 0.000 -4.496 1.784 -0.088
GBX CA2 C CH1 0.000 -4.426 0.849 -2.031
GBX HA2 H H 0.000 -5.405 0.362 -1.914
GBX C2 C C 0.000 -4.597 2.148 -2.776
GBX N3 N NH1 0.000 -3.600 2.615 -3.552
GBX HN3 H H 0.000 -2.738 2.095 -3.634
GBX CA3 C CH2 0.000 -3.765 3.878 -4.277
GBX HA31 H H 0.000 -3.946 4.685 -3.564
GBX HA32 H H 0.000 -4.615 3.798 -4.957
GBX C3 C C 0.000 -2.516 4.173 -5.064
GBX O32 O OC -0.500 -2.445 5.210 -5.760
GBX O31 O OC -0.500 -1.549 3.380 -5.024
GBX O2 O O 0.000 -5.632 2.772 -2.676
GBX N2 N NH1 0.000 -3.530 -0.031 -2.783
GBX HN2 H H 0.000 -2.534 0.000 -2.617
GBX CD1 C C 0.000 -4.034 -0.882 -3.698
GBX OE1 O O 0.000 -5.229 -0.920 -3.898
GBX CG1 C CH2 0.000 -3.112 -1.788 -4.472
GBX HG11 H H 0.000 -2.570 -2.434 -3.778
GBX HG12 H H 0.000 -2.400 -1.183 -5.037
GBX CB1 C CH2 0.000 -3.932 -2.647 -5.437
GBX HB11 H H 0.000 -4.474 -2.000 -6.129
GBX HB12 H H 0.000 -4.644 -3.250 -4.870
GBX CA1 C CH1 0.000 -2.996 -3.567 -6.223
GBX HA1 H H 0.000 -2.451 -4.218 -5.525
GBX N1 N NH2 0.000 -2.038 -2.755 -6.984
GBX HN12 H H 0.000 -1.042 -2.850 -6.819
GBX HN11 H H 0.000 -2.365 -2.094 -7.678
GBX C1 C C 0.000 -3.803 -4.413 -7.173
GBX O11 O OC -0.500 -4.035 -4.004 -8.333
GBX O12 O OC -0.500 -4.243 -5.524 -6.802
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
GBX O8 n/a C8 START
GBX C8 O8 C9 .
GBX C9 C8 C10 .
GBX H9 C9 . .
GBX O9 C9 HO9 .
GBX HO9 O9 . .
GBX C10 C9 SG2 .
GBX H10 C10 . .
GBX "C3'" C10 "C2'" .
GBX C13 "C3'" C12 .
GBX "C4'" C13 "H4'" .
GBX "H4'" "C4'" . .
GBX C12 C13 C11 .
GBX C17 C12 C16 .
GBX C18 C17 "C8'" .
GBX "C9'" C18 "H9'" .
GBX "H9'" "C9'" . .
GBX "C8'" C18 "C7'" .
GBX "H8'" "C8'" . .
GBX "C7'" "C8'" "H7'" .
GBX "H7'" "C7'" . .
GBX C16 C17 "C5'" .
GBX "C6'" C16 "H6'" .
GBX "H6'" "C6'" . .
GBX "C5'" C16 "H5'" .
GBX "H5'" "C5'" . .
GBX C11 C12 "C1'" .
GBX C9A C11 H9A .
GBX H9A C9A . .
GBX "C1'" C11 "H1'" .
GBX "H1'" "C1'" . .
GBX "C2'" "C3'" C7 .
GBX C7 "C2'" O7 .
GBX O7 C7 . .
GBX SG2 C10 CB2 .
GBX CB2 SG2 CA2 .
GBX HB21 CB2 . .
GBX HB22 CB2 . .
GBX CA2 CB2 N2 .
GBX HA2 CA2 . .
GBX C2 CA2 O2 .
GBX N3 C2 CA3 .
GBX HN3 N3 . .
GBX CA3 N3 C3 .
GBX HA31 CA3 . .
GBX HA32 CA3 . .
GBX C3 CA3 O31 .
GBX O32 C3 . .
GBX O31 C3 . .
GBX O2 C2 . .
GBX N2 CA2 CD1 .
GBX HN2 N2 . .
GBX CD1 N2 CG1 .
GBX OE1 CD1 . .
GBX CG1 CD1 CB1 .
GBX HG11 CG1 . .
GBX HG12 CG1 . .
GBX CB1 CG1 CA1 .
GBX HB11 CB1 . .
GBX HB12 CB1 . .
GBX CA1 CB1 C1 .
GBX HA1 CA1 . .
GBX N1 CA1 HN11 .
GBX HN12 N1 . .
GBX HN11 N1 . .
GBX C1 CA1 O12 .
GBX O11 C1 . .
GBX O12 C1 . END
GBX C7 C8 . ADD
GBX "C1'" "C2'" . ADD
GBX "C4'" "C5'" . ADD
GBX "C6'" "C7'" . ADD
GBX "C9'" C9A . ADD
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
GBX O2 C2 double 1.220 0.020
GBX C1 CA1 single 1.500 0.020
GBX O11 C1 deloc 1.250 0.020
GBX O12 C1 deloc 1.250 0.020
GBX N3 C2 single 1.330 0.020
GBX C2 CA2 single 1.500 0.020
GBX C3 CA3 single 1.510 0.020
GBX O31 C3 deloc 1.250 0.020
GBX O32 C3 deloc 1.250 0.020
GBX N1 CA1 single 1.450 0.020
GBX HN11 N1 single 1.010 0.020
GBX HN12 N1 single 1.010 0.020
GBX O7 C7 double 1.220 0.020
GBX C7 C8 single 1.460 0.020
GBX C7 "C2'" single 1.500 0.020
GBX CD1 N2 single 1.330 0.020
GBX N2 CA2 single 1.450 0.020
GBX HN2 N2 single 1.010 0.020
GBX CA3 N3 single 1.450 0.020
GBX HN3 N3 single 1.010 0.020
GBX CA1 CB1 single 1.524 0.020
GBX HA1 CA1 single 1.099 0.020
GBX CB1 CG1 single 1.524 0.020
GBX HB11 CB1 single 1.092 0.020
GBX HB12 CB1 single 1.092 0.020
GBX CG1 CD1 single 1.510 0.020
GBX HG11 CG1 single 1.092 0.020
GBX HG12 CG1 single 1.092 0.020
GBX OE1 CD1 double 1.220 0.020
GBX CA2 CB2 single 1.524 0.020
GBX HA2 CA2 single 1.099 0.020
GBX CB2 SG2 single 1.762 0.020
GBX HB21 CB2 single 1.092 0.020
GBX HB22 CB2 single 1.092 0.020
GBX SG2 C10 single 1.765 0.020
GBX HA31 CA3 single 1.092 0.020
GBX HA32 CA3 single 1.092 0.020
GBX C8 O8 double 1.220 0.020
GBX C9 C8 single 1.500 0.020
GBX O9 C9 single 1.432 0.020
GBX C10 C9 single 1.524 0.020
GBX H9 C9 single 1.099 0.020
GBX HO9 O9 single 0.967 0.020
GBX "C3'" C10 single 1.480 0.020
GBX H10 C10 single 1.099 0.020
GBX "C1'" "C2'" single 1.390 0.020
GBX "C1'" C11 double 1.390 0.020
GBX "H1'" "C1'" single 1.083 0.020
GBX "C2'" "C3'" double 1.487 0.020
GBX C13 "C3'" single 1.490 0.020
GBX "C4'" "C5'" double 1.390 0.020
GBX "C4'" C13 single 1.390 0.020
GBX "H4'" "C4'" single 1.083 0.020
GBX "C5'" C16 single 1.390 0.020
GBX "H5'" "C5'" single 1.083 0.020
GBX "C6'" "C7'" double 1.390 0.020
GBX "C6'" C16 single 1.390 0.020
GBX "H6'" "C6'" single 1.083 0.020
GBX "C7'" "C8'" single 1.390 0.020
GBX "H7'" "C7'" single 1.083 0.020
GBX "C8'" C18 double 1.390 0.020
GBX "H8'" "C8'" single 1.083 0.020
GBX "C9'" C9A double 1.390 0.020
GBX "C9'" C18 single 1.390 0.020
GBX "H9'" "C9'" single 1.083 0.020
GBX C9A C11 single 1.390 0.020
GBX H9A C9A single 1.083 0.020
GBX C11 C12 single 1.490 0.020
GBX C12 C13 double 1.490 0.020
GBX C17 C12 single 1.490 0.020
GBX C16 C17 double 1.490 0.020
GBX C18 C17 single 1.490 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
GBX O8 C8 C9 120.500 3.000
GBX O8 C8 C7 120.500 3.000
GBX C9 C8 C7 120.000 3.000
GBX C8 C9 H9 108.810 3.000
GBX C8 C9 O9 109.470 3.000
GBX C8 C9 C10 109.470 3.000
GBX H9 C9 O9 109.470 3.000
GBX H9 C9 C10 108.340 3.000
GBX O9 C9 C10 109.470 3.000
GBX C9 O9 HO9 109.470 3.000
GBX C9 C10 H10 108.340 3.000
GBX C9 C10 "C3'" 109.470 3.000
GBX C9 C10 SG2 109.500 3.000
GBX H10 C10 "C3'" 109.470 3.000
GBX H10 C10 SG2 109.500 3.000
GBX "C3'" C10 SG2 109.500 3.000
GBX C10 "C3'" C13 120.000 3.000
GBX C10 "C3'" "C2'" 120.000 3.000
GBX C13 "C3'" "C2'" 120.000 3.000
GBX "C3'" C13 "C4'" 120.000 3.000
GBX "C3'" C13 C12 120.000 3.000
GBX "C4'" C13 C12 120.000 3.000
GBX C13 "C4'" "H4'" 120.000 3.000
GBX C13 "C4'" "C5'" 120.000 3.000
GBX "H4'" "C4'" "C5'" 120.000 3.000
GBX C13 C12 C17 120.000 3.000
GBX C13 C12 C11 120.000 3.000
GBX C17 C12 C11 120.000 3.000
GBX C12 C17 C18 120.000 3.000
GBX C12 C17 C16 120.000 3.000
GBX C18 C17 C16 120.000 3.000
GBX C17 C18 "C9'" 120.000 3.000
GBX C17 C18 "C8'" 120.000 3.000
GBX "C9'" C18 "C8'" 120.000 3.000
GBX C18 "C9'" "H9'" 120.000 3.000
GBX C18 "C9'" C9A 120.000 3.000
GBX "H9'" "C9'" C9A 120.000 3.000
GBX C18 "C8'" "H8'" 120.000 3.000
GBX C18 "C8'" "C7'" 120.000 3.000
GBX "H8'" "C8'" "C7'" 120.000 3.000
GBX "C8'" "C7'" "H7'" 120.000 3.000
GBX "C8'" "C7'" "C6'" 120.000 3.000
GBX "H7'" "C7'" "C6'" 120.000 3.000
GBX C17 C16 "C6'" 120.000 3.000
GBX C17 C16 "C5'" 120.000 3.000
GBX "C6'" C16 "C5'" 120.000 3.000
GBX C16 "C6'" "H6'" 120.000 3.000
GBX C16 "C6'" "C7'" 120.000 3.000
GBX "H6'" "C6'" "C7'" 120.000 3.000
GBX C16 "C5'" "H5'" 120.000 3.000
GBX C16 "C5'" "C4'" 120.000 3.000
GBX "H5'" "C5'" "C4'" 120.000 3.000
GBX C12 C11 C9A 120.000 3.000
GBX C12 C11 "C1'" 120.000 3.000
GBX C9A C11 "C1'" 120.000 3.000
GBX C11 C9A H9A 120.000 3.000
GBX C11 C9A "C9'" 120.000 3.000
GBX H9A C9A "C9'" 120.000 3.000
GBX C11 "C1'" "H1'" 120.000 3.000
GBX C11 "C1'" "C2'" 120.000 3.000
GBX "H1'" "C1'" "C2'" 120.000 3.000
GBX "C3'" "C2'" C7 120.000 3.000
GBX "C3'" "C2'" "C1'" 120.000 3.000
GBX C7 "C2'" "C1'" 120.000 3.000
GBX "C2'" C7 O7 120.500 3.000
GBX "C2'" C7 C8 120.000 3.000
GBX O7 C7 C8 120.500 3.000
GBX C10 SG2 CB2 99.965 3.000
GBX SG2 CB2 HB21 109.500 3.000
GBX SG2 CB2 HB22 109.500 3.000
GBX SG2 CB2 CA2 109.500 3.000
GBX HB21 CB2 HB22 107.900 3.000
GBX HB21 CB2 CA2 109.470 3.000
GBX HB22 CB2 CA2 109.470 3.000
GBX CB2 CA2 HA2 108.340 3.000
GBX CB2 CA2 C2 109.470 3.000
GBX CB2 CA2 N2 110.000 3.000
GBX HA2 CA2 C2 108.810 3.000
GBX HA2 CA2 N2 108.550 3.000
GBX C2 CA2 N2 111.600 3.000
GBX CA2 C2 N3 116.500 3.000
GBX CA2 C2 O2 120.500 3.000
GBX N3 C2 O2 123.000 3.000
GBX C2 N3 HN3 120.000 3.000
GBX C2 N3 CA3 121.500 3.000
GBX HN3 N3 CA3 118.500 3.000
GBX N3 CA3 HA31 109.470 3.000
GBX N3 CA3 HA32 109.470 3.000
GBX N3 CA3 C3 111.600 3.000
GBX HA31 CA3 HA32 107.900 3.000
GBX HA31 CA3 C3 109.470 3.000
GBX HA32 CA3 C3 109.470 3.000
GBX CA3 C3 O32 118.500 3.000
GBX CA3 C3 O31 118.500 3.000
GBX O32 C3 O31 123.000 3.000
GBX CA2 N2 HN2 118.500 3.000
GBX CA2 N2 CD1 121.500 3.000
GBX HN2 N2 CD1 120.000 3.000
GBX N2 CD1 OE1 123.000 3.000
GBX N2 CD1 CG1 116.500 3.000
GBX OE1 CD1 CG1 120.500 3.000
GBX CD1 CG1 HG11 109.470 3.000
GBX CD1 CG1 HG12 109.470 3.000
GBX CD1 CG1 CB1 109.470 3.000
GBX HG11 CG1 HG12 107.900 3.000
GBX HG11 CG1 CB1 109.470 3.000
GBX HG12 CG1 CB1 109.470 3.000
GBX CG1 CB1 HB11 109.470 3.000
GBX CG1 CB1 HB12 109.470 3.000
GBX CG1 CB1 CA1 111.000 3.000
GBX HB11 CB1 HB12 107.900 3.000
GBX HB11 CB1 CA1 109.470 3.000
GBX HB12 CB1 CA1 109.470 3.000
GBX CB1 CA1 HA1 108.340 3.000
GBX CB1 CA1 N1 109.470 3.000
GBX CB1 CA1 C1 109.470 3.000
GBX HA1 CA1 N1 109.470 3.000
GBX HA1 CA1 C1 108.810 3.000
GBX N1 CA1 C1 109.470 3.000
GBX CA1 N1 HN12 120.000 3.000
GBX CA1 N1 HN11 120.000 3.000
GBX HN12 N1 HN11 120.000 3.000
GBX CA1 C1 O11 118.500 3.000
GBX CA1 C1 O12 118.500 3.000
GBX O11 C1 O12 123.000 3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
GBX var_1 O8 C8 C9 C10 120.000 20.000 3
GBX var_2 C8 C9 O9 HO9 60.894 20.000 1
GBX var_3 C8 C9 C10 SG2 -60.000 20.000 3
GBX var_4 C9 C10 "C3'" "C2'" -30.000 20.000 1
GBX CONST_1 C10 "C3'" C13 C12 180.000 0.000 0
GBX CONST_2 "C3'" C13 "C4'" "C5'" 180.000 0.000 0
GBX CONST_3 C13 "C4'" "C5'" C16 0.000 0.000 0
GBX CONST_4 "C3'" C13 C12 C11 0.000 0.000 0
GBX CONST_5 C13 C12 C17 C16 0.000 0.000 0
GBX CONST_6 C12 C17 C18 "C8'" 180.000 0.000 0
GBX CONST_7 C17 C18 "C9'" C9A 0.000 0.000 0
GBX CONST_8 C18 "C9'" C9A C11 0.000 0.000 0
GBX CONST_9 C17 C18 "C8'" "C7'" 0.000 0.000 0
GBX CONST_10 C18 "C8'" "C7'" "C6'" 0.000 0.000 0
GBX CONST_11 C12 C17 C16 "C5'" 0.000 0.000 0
GBX CONST_12 C17 C16 "C6'" "C7'" 0.000 0.000 0
GBX CONST_13 C16 "C6'" "C7'" "C8'" 0.000 0.000 0
GBX CONST_14 C17 C16 "C5'" "C4'" 0.000 0.000 0
GBX CONST_15 C13 C12 C11 "C1'" 0.000 0.000 0
GBX CONST_16 C12 C11 C9A "C9'" 0.000 0.000 0
GBX CONST_17 C12 C11 "C1'" "C2'" 0.000 0.000 0
GBX CONST_18 C11 "C1'" "C2'" "C3'" 0.000 0.000 0
GBX CONST_19 C10 "C3'" "C2'" C7 0.000 0.000 0
GBX var_5 "C3'" "C2'" C7 O7 180.000 20.000 1
GBX var_6 "C2'" C7 C8 O8 -150.000 20.000 1
GBX var_7 C9 C10 SG2 CB2 -58.668 20.000 1
GBX var_8 C10 SG2 CB2 CA2 -179.963 20.000 1
GBX var_9 SG2 CB2 CA2 N2 -59.967 20.000 3
GBX var_10 CB2 CA2 C2 O2 -89.965 20.000 3
GBX CONST_20 CA2 C2 N3 CA3 180.000 0.000 0
GBX var_11 C2 N3 CA3 C3 179.998 20.000 3
GBX var_12 N3 CA3 C3 O31 0.021 20.000 3
GBX var_13 CB2 CA2 N2 CD1 150.022 20.000 3
GBX CONST_21 CA2 N2 CD1 CG1 180.000 0.000 0
GBX var_14 N2 CD1 CG1 CB1 179.959 20.000 3
GBX var_15 CD1 CG1 CB1 CA1 179.992 20.000 3
GBX var_16 CG1 CB1 CA1 C1 -179.986 20.000 3
GBX var_17 CB1 CA1 N1 HN11 -60.076 20.000 1
GBX var_18 CB1 CA1 C1 O12 -89.965 20.000 3
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
GBX chir_01 CA1 C1 N1 CB1 negativ
GBX chir_02 CA2 C2 N2 CB2 negativ
GBX chir_03 C9 C8 O9 C10 positiv
GBX chir_04 C10 SG2 C9 "C3'" positiv
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
GBX plan-1 C1 0.020
GBX plan-1 CA1 0.020
GBX plan-1 O11 0.020
GBX plan-1 O12 0.020
GBX plan-2 C2 0.020
GBX plan-2 O2 0.020
GBX plan-2 N3 0.020
GBX plan-2 CA2 0.020
GBX plan-2 HN3 0.020
GBX plan-3 C3 0.020
GBX plan-3 CA3 0.020
GBX plan-3 O31 0.020
GBX plan-3 O32 0.020
GBX plan-4 N1 0.020
GBX plan-4 CA1 0.020
GBX plan-4 HN11 0.020
GBX plan-4 HN12 0.020
GBX plan-5 C7 0.020
GBX plan-5 O7 0.020
GBX plan-5 C8 0.020
GBX plan-5 "C2'" 0.020
GBX plan-6 N2 0.020
GBX plan-6 CD1 0.020
GBX plan-6 CA2 0.020
GBX plan-6 HN2 0.020
GBX plan-7 N3 0.020
GBX plan-7 C2 0.020
GBX plan-7 CA3 0.020
GBX plan-7 HN3 0.020
GBX plan-8 CD1 0.020
GBX plan-8 N2 0.020
GBX plan-8 CG1 0.020
GBX plan-8 OE1 0.020
GBX plan-8 HN2 0.020
GBX plan-9 C8 0.020
GBX plan-9 C7 0.020
GBX plan-9 O8 0.020
GBX plan-9 C9 0.020
GBX plan-10 "C1'" 0.020
GBX plan-10 "C2'" 0.020
GBX plan-10 C11 0.020
GBX plan-10 "H1'" 0.020
GBX plan-10 "C3'" 0.020
GBX plan-10 C7 0.020
GBX plan-10 C10 0.020
GBX plan-10 C13 0.020
GBX plan-10 C9A 0.020
GBX plan-10 C12 0.020
GBX plan-10 C17 0.020
GBX plan-10 "C4'" 0.020
GBX plan-10 C16 0.020
GBX plan-10 C18 0.020
GBX plan-10 "C8'" 0.020
GBX plan-10 "C9'" 0.020
GBX plan-10 "C5'" 0.020
GBX plan-10 "C6'" 0.020
GBX plan-10 "C7'" 0.020
GBX plan-10 "H4'" 0.020
GBX plan-10 "H5'" 0.020
GBX plan-10 "H6'" 0.020
GBX plan-10 "H7'" 0.020
GBX plan-10 "H8'" 0.020
GBX plan-10 "H9'" 0.020
GBX plan-10 H9A 0.020
# ------------------------------------------------------
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