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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
CF2 CF2 '"2'-deoxy-5'-O-{[2-(7,8-dimethyl-2,4' non-polymer 68 42 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CF2
#
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
CF2 O2 O O 0.000 0.000 0.000 0.000
CF2 C2 C CR6 0.000 -0.520 -1.044 0.354
CF2 N3 N NR16 0.000 0.240 -1.932 1.011
CF2 H3 H H 0.000 1.238 -1.709 1.199
CF2 C4 C CR6 0.000 -0.268 -3.112 1.435
CF2 O4 O O 0.000 0.419 -3.920 2.031
CF2 N1 N NRD6 0.000 -1.800 -1.238 0.051
CF2 C10 C CR66 0.000 -2.436 -2.341 0.407
CF2 C4A C CR66 0.000 -1.693 -3.379 1.141
CF2 N5 N NRD6 0.000 -2.285 -4.488 1.505
CF2 C5A C CR66 0.000 -3.577 -4.697 1.223
CF2 C6 C CR16 0.000 -4.196 -5.899 1.624
CF2 H6 H H 0.000 -3.627 -6.649 2.159
CF2 C7 C CR6 0.000 -5.511 -6.114 1.339
CF2 C7M C CH3 0.000 -6.166 -7.400 1.770
CF2 H7M3 H H 0.000 -6.937 -7.650 1.088
CF2 H7M2 H H 0.000 -5.444 -8.176 1.786
CF2 H7M1 H H 0.000 -6.576 -7.280 2.739
CF2 C8 C CR6 0.000 -6.256 -5.160 0.653
CF2 C8M C CH3 0.000 -7.708 -5.423 0.350
CF2 H8M3 H H 0.000 -7.977 -4.928 -0.546
CF2 H8M2 H H 0.000 -7.862 -6.465 0.238
CF2 H8M1 H H 0.000 -8.306 -5.062 1.147
CF2 C9 C CR16 0.000 -5.677 -3.977 0.249
CF2 H9 H H 0.000 -6.265 -3.240 -0.284
CF2 C9A C CR66 0.000 -4.336 -3.730 0.527
CF2 N10 N NR6 0.000 -3.752 -2.547 0.123
CF2 "C1'" C CH2 0.000 -4.529 -1.538 -0.601
CF2 "H1'1" H H 0.000 -5.309 -2.030 -1.186
CF2 "H1'2" H H 0.000 -3.869 -0.982 -1.270
CF2 "C4'" C CH2 0.000 -5.172 -0.574 0.400
CF2 "H4'1" H H 0.000 -4.391 -0.084 0.985
CF2 "H4'2" H H 0.000 -5.831 -1.132 1.070
CF2 "N1'" N NH1 0.000 -5.949 0.435 -0.324
CF2 "H1'" H H 0.000 -5.991 0.411 -1.333
CF2 "C5'" C C 0.000 -6.607 1.394 0.356
CF2 "O2'" O O 0.000 -6.557 1.421 1.571
CF2 "O1'" O O2 0.000 -7.321 2.321 -0.308
CF2 "C5'A" C CH2 0.000 -8.004 3.324 0.489
CF2 HAB1 H H 0.000 -7.272 3.882 1.077
CF2 HAB2 H H 0.000 -8.711 2.834 1.161
CF2 "C4'A" C CH1 0.000 -8.757 4.284 -0.434
CF2 HAE H H 0.000 -8.087 4.681 -1.210
CF2 "C3'A" C CH1 0.000 -9.393 5.439 0.381
CF2 HAC H H 0.000 -9.770 5.075 1.347
CF2 "O3'A" O OH1 0.000 -8.461 6.505 0.568
CF2 HAD H H 0.000 -8.905 7.249 0.997
CF2 "C2'A" C CH2 0.000 -10.560 5.880 -0.536
CF2 HAA2 H H 0.000 -10.296 6.745 -1.148
CF2 HAA1 H H 0.000 -11.467 6.100 0.031
CF2 "O4'A" O O2 0.000 -9.894 3.628 -1.033
CF2 "C1'A" C CH1 0.000 -10.805 4.659 -1.446
CF2 HAB H H 0.000 -10.614 4.929 -2.494
CF2 N9A N NR5 0.000 -12.187 4.196 -1.295
CF2 C4AA C CR56 0.000 -13.281 4.679 -1.961
CF2 N3A N NRD6 0.000 -13.467 5.635 -2.879
CF2 C2A C CR6 0.000 -14.664 5.893 -3.357
CF2 N2A N NH2 0.000 -14.806 6.882 -4.297
CF2 "HA'2" H H 0.000 -13.999 7.404 -4.616
CF2 "HA'1" H H 0.000 -15.720 7.098 -4.679
CF2 N1A N NR16 0.000 -15.767 5.206 -2.946
CF2 "HA'" H H 0.000 -16.699 5.437 -3.346
CF2 C8A C CR15 0.000 -12.620 3.212 -0.454
CF2 HAA H H 0.000 -11.989 2.643 0.217
CF2 N7A N NRD5 0.000 -13.906 3.060 -0.578
CF2 C5AA C CR56 0.000 -14.375 3.942 -1.494
CF2 C6A C CR6 0.000 -15.657 4.226 -2.022
CF2 O6A O O 0.000 -16.638 3.606 -1.649
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
CF2 O2 n/a C2 START
CF2 C2 O2 N1 .
CF2 N3 C2 C4 .
CF2 H3 N3 . .
CF2 C4 N3 O4 .
CF2 O4 C4 . .
CF2 N1 C2 C10 .
CF2 C10 N1 N10 .
CF2 C4A C10 N5 .
CF2 N5 C4A C5A .
CF2 C5A N5 C6 .
CF2 C6 C5A C7 .
CF2 H6 C6 . .
CF2 C7 C6 C8 .
CF2 C7M C7 H7M1 .
CF2 H7M3 C7M . .
CF2 H7M2 C7M . .
CF2 H7M1 C7M . .
CF2 C8 C7 C9 .
CF2 C8M C8 H8M1 .
CF2 H8M3 C8M . .
CF2 H8M2 C8M . .
CF2 H8M1 C8M . .
CF2 C9 C8 C9A .
CF2 H9 C9 . .
CF2 C9A C9 . .
CF2 N10 C10 "C1'" .
CF2 "C1'" N10 "C4'" .
CF2 "H1'1" "C1'" . .
CF2 "H1'2" "C1'" . .
CF2 "C4'" "C1'" "N1'" .
CF2 "H4'1" "C4'" . .
CF2 "H4'2" "C4'" . .
CF2 "N1'" "C4'" "C5'" .
CF2 "H1'" "N1'" . .
CF2 "C5'" "N1'" "O1'" .
CF2 "O2'" "C5'" . .
CF2 "O1'" "C5'" "C5'A" .
CF2 "C5'A" "O1'" "C4'A" .
CF2 HAB1 "C5'A" . .
CF2 HAB2 "C5'A" . .
CF2 "C4'A" "C5'A" "O4'A" .
CF2 HAE "C4'A" . .
CF2 "C3'A" "C4'A" "C2'A" .
CF2 HAC "C3'A" . .
CF2 "O3'A" "C3'A" HAD .
CF2 HAD "O3'A" . .
CF2 "C2'A" "C3'A" HAA1 .
CF2 HAA2 "C2'A" . .
CF2 HAA1 "C2'A" . .
CF2 "O4'A" "C4'A" "C1'A" .
CF2 "C1'A" "O4'A" N9A .
CF2 HAB "C1'A" . .
CF2 N9A "C1'A" C8A .
CF2 C4AA N9A N3A .
CF2 N3A C4AA C2A .
CF2 C2A N3A N1A .
CF2 N2A C2A "HA'1" .
CF2 "HA'2" N2A . .
CF2 "HA'1" N2A . .
CF2 N1A C2A "HA'" .
CF2 "HA'" N1A . .
CF2 C8A N9A N7A .
CF2 HAA C8A . .
CF2 N7A C8A C5AA .
CF2 C5AA N7A C6A .
CF2 C6A C5AA O6A .
CF2 O6A C6A . END
CF2 C6A N1A . ADD
CF2 C5AA C4AA . ADD
CF2 "C1'A" "C2'A" . ADD
CF2 N10 C9A . ADD
CF2 C9A C5A . ADD
CF2 C4A C4 . 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
CF2 O6A C6A double 1.250 0.020
CF2 C6A N1A single 1.337 0.020
CF2 C6A C5AA single 1.490 0.020
CF2 N1A C2A single 1.337 0.020
CF2 N2A C2A single 1.355 0.020
CF2 C2A N3A double 1.350 0.020
CF2 N3A C4AA single 1.355 0.020
CF2 C5AA C4AA double 1.490 0.020
CF2 C5AA N7A single 1.350 0.020
CF2 C4AA N9A single 1.337 0.020
CF2 N7A C8A double 1.350 0.020
CF2 C8A N9A single 1.337 0.020
CF2 N9A "C1'A" single 1.485 0.020
CF2 "C1'A" "C2'A" single 1.524 0.020
CF2 "C1'A" "O4'A" single 1.426 0.020
CF2 "C2'A" "C3'A" single 1.524 0.020
CF2 "O3'A" "C3'A" single 1.432 0.020
CF2 "C3'A" "C4'A" single 1.524 0.020
CF2 "O4'A" "C4'A" single 1.426 0.020
CF2 "C4'A" "C5'A" single 1.524 0.020
CF2 "C5'A" "O1'" single 1.426 0.020
CF2 "O1'" "C5'" single 1.454 0.020
CF2 "O2'" "C5'" double 1.220 0.020
CF2 "C5'" "N1'" single 1.330 0.020
CF2 "N1'" "C4'" single 1.450 0.020
CF2 "C4'" "C1'" single 1.524 0.020
CF2 "C1'" N10 single 1.465 0.020
CF2 N10 C9A single 1.410 0.020
CF2 N10 C10 single 1.410 0.020
CF2 C9A C5A single 1.490 0.020
CF2 C9A C9 double 1.390 0.020
CF2 C6 C5A double 1.390 0.020
CF2 C5A N5 single 1.350 0.020
CF2 C7 C6 single 1.390 0.020
CF2 C7M C7 single 1.506 0.020
CF2 C8 C7 double 1.487 0.020
CF2 C8M C8 single 1.506 0.020
CF2 C9 C8 single 1.390 0.020
CF2 N5 C4A double 1.350 0.020
CF2 C4A C4 single 1.490 0.020
CF2 C4A C10 single 1.490 0.020
CF2 O4 C4 double 1.250 0.020
CF2 C4 N3 single 1.337 0.020
CF2 N3 C2 single 1.337 0.020
CF2 C10 N1 double 1.350 0.020
CF2 N1 C2 single 1.350 0.020
CF2 C2 O2 double 1.250 0.020
CF2 "HA'" N1A single 1.040 0.020
CF2 "HA'1" N2A single 1.010 0.020
CF2 "HA'2" N2A single 1.010 0.020
CF2 HAA C8A single 1.083 0.020
CF2 HAB "C1'A" single 1.099 0.020
CF2 HAA1 "C2'A" single 1.092 0.020
CF2 HAA2 "C2'A" single 1.092 0.020
CF2 HAC "C3'A" single 1.099 0.020
CF2 HAD "O3'A" single 0.967 0.020
CF2 HAE "C4'A" single 1.099 0.020
CF2 HAB1 "C5'A" single 1.092 0.020
CF2 HAB2 "C5'A" single 1.092 0.020
CF2 "H1'" "N1'" single 1.010 0.020
CF2 "H4'1" "C4'" single 1.092 0.020
CF2 "H4'2" "C4'" single 1.092 0.020
CF2 "H1'1" "C1'" single 1.092 0.020
CF2 "H1'2" "C1'" single 1.092 0.020
CF2 H9 C9 single 1.083 0.020
CF2 H6 C6 single 1.083 0.020
CF2 H7M1 C7M single 1.059 0.020
CF2 H7M2 C7M single 1.059 0.020
CF2 H7M3 C7M single 1.059 0.020
CF2 H8M1 C8M single 1.059 0.020
CF2 H8M2 C8M single 1.059 0.020
CF2 H8M3 C8M single 1.059 0.020
CF2 H3 N3 single 1.040 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
CF2 O2 C2 N3 120.000 3.000
CF2 O2 C2 N1 120.000 3.000
CF2 N3 C2 N1 120.000 3.000
CF2 C2 N3 H3 120.000 3.000
CF2 C2 N3 C4 120.000 3.000
CF2 H3 N3 C4 120.000 3.000
CF2 N3 C4 O4 120.000 3.000
CF2 N3 C4 C4A 120.000 3.000
CF2 O4 C4 C4A 120.000 3.000
CF2 C2 N1 C10 120.000 3.000
CF2 N1 C10 C4A 120.000 3.000
CF2 N1 C10 N10 120.000 3.000
CF2 C4A C10 N10 120.000 3.000
CF2 C10 C4A N5 120.000 3.000
CF2 C10 C4A C4 120.000 3.000
CF2 N5 C4A C4 120.000 3.000
CF2 C4A N5 C5A 120.000 3.000
CF2 N5 C5A C6 120.000 3.000
CF2 N5 C5A C9A 120.000 3.000
CF2 C6 C5A C9A 120.000 3.000
CF2 C5A C6 H6 120.000 3.000
CF2 C5A C6 C7 120.000 3.000
CF2 H6 C6 C7 120.000 3.000
CF2 C6 C7 C7M 120.000 3.000
CF2 C6 C7 C8 120.000 3.000
CF2 C7M C7 C8 120.000 3.000
CF2 C7 C7M H7M3 109.470 3.000
CF2 C7 C7M H7M2 109.470 3.000
CF2 C7 C7M H7M1 109.470 3.000
CF2 H7M3 C7M H7M2 109.470 3.000
CF2 H7M3 C7M H7M1 109.470 3.000
CF2 H7M2 C7M H7M1 109.470 3.000
CF2 C7 C8 C8M 120.000 3.000
CF2 C7 C8 C9 120.000 3.000
CF2 C8M C8 C9 120.000 3.000
CF2 C8 C8M H8M3 109.470 3.000
CF2 C8 C8M H8M2 109.470 3.000
CF2 C8 C8M H8M1 109.470 3.000
CF2 H8M3 C8M H8M2 109.470 3.000
CF2 H8M3 C8M H8M1 109.470 3.000
CF2 H8M2 C8M H8M1 109.470 3.000
CF2 C8 C9 H9 120.000 3.000
CF2 C8 C9 C9A 120.000 3.000
CF2 H9 C9 C9A 120.000 3.000
CF2 C9 C9A N10 120.000 3.000
CF2 C9 C9A C5A 120.000 3.000
CF2 N10 C9A C5A 120.000 3.000
CF2 C10 N10 "C1'" 120.000 3.000
CF2 C10 N10 C9A 120.000 3.000
CF2 "C1'" N10 C9A 120.000 3.000
CF2 N10 "C1'" "H1'1" 109.470 3.000
CF2 N10 "C1'" "H1'2" 109.470 3.000
CF2 N10 "C1'" "C4'" 109.470 3.000
CF2 "H1'1" "C1'" "H1'2" 107.900 3.000
CF2 "H1'1" "C1'" "C4'" 109.470 3.000
CF2 "H1'2" "C1'" "C4'" 109.470 3.000
CF2 "C1'" "C4'" "H4'1" 109.470 3.000
CF2 "C1'" "C4'" "H4'2" 109.470 3.000
CF2 "C1'" "C4'" "N1'" 112.000 3.000
CF2 "H4'1" "C4'" "H4'2" 107.900 3.000
CF2 "H4'1" "C4'" "N1'" 109.470 3.000
CF2 "H4'2" "C4'" "N1'" 109.470 3.000
CF2 "C4'" "N1'" "H1'" 118.500 3.000
CF2 "C4'" "N1'" "C5'" 121.500 3.000
CF2 "H1'" "N1'" "C5'" 120.000 3.000
CF2 "N1'" "C5'" "O2'" 123.000 3.000
CF2 "N1'" "C5'" "O1'" 118.000 3.000
CF2 "O2'" "C5'" "O1'" 119.000 3.000
CF2 "C5'" "O1'" "C5'A" 120.000 3.000
CF2 "O1'" "C5'A" HAB1 109.470 3.000
CF2 "O1'" "C5'A" HAB2 109.470 3.000
CF2 "O1'" "C5'A" "C4'A" 109.470 3.000
CF2 HAB1 "C5'A" HAB2 107.900 3.000
CF2 HAB1 "C5'A" "C4'A" 109.470 3.000
CF2 HAB2 "C5'A" "C4'A" 109.470 3.000
CF2 "C5'A" "C4'A" HAE 108.340 3.000
CF2 "C5'A" "C4'A" "C3'A" 111.000 3.000
CF2 "C5'A" "C4'A" "O4'A" 109.470 3.000
CF2 HAE "C4'A" "C3'A" 108.340 3.000
CF2 HAE "C4'A" "O4'A" 109.470 3.000
CF2 "C3'A" "C4'A" "O4'A" 109.470 3.000
CF2 "C4'A" "C3'A" HAC 108.340 3.000
CF2 "C4'A" "C3'A" "O3'A" 109.470 3.000
CF2 "C4'A" "C3'A" "C2'A" 111.000 3.000
CF2 HAC "C3'A" "O3'A" 109.470 3.000
CF2 HAC "C3'A" "C2'A" 108.340 3.000
CF2 "O3'A" "C3'A" "C2'A" 109.470 3.000
CF2 "C3'A" "O3'A" HAD 109.470 3.000
CF2 "C3'A" "C2'A" HAA2 109.470 3.000
CF2 "C3'A" "C2'A" HAA1 109.470 3.000
CF2 "C3'A" "C2'A" "C1'A" 111.000 3.000
CF2 HAA2 "C2'A" HAA1 107.900 3.000
CF2 HAA2 "C2'A" "C1'A" 109.470 3.000
CF2 HAA1 "C2'A" "C1'A" 109.470 3.000
CF2 "C4'A" "O4'A" "C1'A" 111.800 3.000
CF2 "O4'A" "C1'A" HAB 109.470 3.000
CF2 "O4'A" "C1'A" N9A 109.470 3.000
CF2 "O4'A" "C1'A" "C2'A" 109.470 3.000
CF2 HAB "C1'A" N9A 109.470 3.000
CF2 HAB "C1'A" "C2'A" 108.340 3.000
CF2 N9A "C1'A" "C2'A" 109.470 3.000
CF2 "C1'A" N9A C4AA 126.000 3.000
CF2 "C1'A" N9A C8A 126.000 3.000
CF2 C4AA N9A C8A 108.000 3.000
CF2 N9A C4AA N3A 132.000 3.000
CF2 N9A C4AA C5AA 108.000 3.000
CF2 N3A C4AA C5AA 120.000 3.000
CF2 C4AA N3A C2A 120.000 3.000
CF2 N3A C2A N2A 120.000 3.000
CF2 N3A C2A N1A 120.000 3.000
CF2 N2A C2A N1A 120.000 3.000
CF2 C2A N2A "HA'2" 120.000 3.000
CF2 C2A N2A "HA'1" 120.000 3.000
CF2 "HA'2" N2A "HA'1" 120.000 3.000
CF2 C2A N1A "HA'" 120.000 3.000
CF2 C2A N1A C6A 120.000 3.000
CF2 "HA'" N1A C6A 120.000 3.000
CF2 N9A C8A HAA 126.000 3.000
CF2 N9A C8A N7A 108.000 3.000
CF2 HAA C8A N7A 126.000 3.000
CF2 C8A N7A C5AA 108.000 3.000
CF2 N7A C5AA C6A 132.000 3.000
CF2 N7A C5AA C4AA 108.000 3.000
CF2 C6A C5AA C4AA 120.000 3.000
CF2 C5AA C6A O6A 120.000 3.000
CF2 C5AA C6A N1A 120.000 3.000
CF2 O6A C6A N1A 120.000 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
CF2 CONST_1 O2 C2 N3 C4 180.000 0.000 0
CF2 CONST_2 C2 N3 C4 O4 180.000 0.000 0
CF2 CONST_3 O2 C2 N1 C10 180.000 0.000 0
CF2 CONST_4 C2 N1 C10 N10 180.000 0.000 0
CF2 CONST_5 N1 C10 C4A N5 180.000 0.000 0
CF2 CONST_6 C10 C4A C4 N3 0.000 0.000 0
CF2 CONST_7 C10 C4A N5 C5A 0.000 0.000 0
CF2 CONST_8 C4A N5 C5A C6 180.000 0.000 0
CF2 CONST_9 N5 C5A C6 C7 180.000 0.000 0
CF2 CONST_10 C5A C6 C7 C8 0.000 0.000 0
CF2 var_1 C6 C7 C7M H7M1 89.978 20.000 1
CF2 CONST_11 C6 C7 C8 C9 0.000 0.000 0
CF2 var_2 C7 C8 C8M H8M1 90.024 20.000 1
CF2 CONST_12 C7 C8 C9 C9A 0.000 0.000 0
CF2 CONST_13 C8 C9 C9A N10 180.000 0.000 0
CF2 CONST_14 C9 C9A C5A N5 180.000 0.000 0
CF2 CONST_15 N1 C10 N10 "C1'" 0.000 0.000 0
CF2 CONST_16 C10 N10 C9A C9 180.000 0.000 0
CF2 var_3 C10 N10 "C1'" "C4'" -90.279 20.000 1
CF2 var_4 N10 "C1'" "C4'" "N1'" 180.000 20.000 3
CF2 var_5 "C1'" "C4'" "N1'" "C5'" 179.999 20.000 3
CF2 CONST_17 "C4'" "N1'" "C5'" "O1'" 180.000 0.000 0
CF2 var_6 "N1'" "C5'" "O1'" "C5'A" -179.997 20.000 1
CF2 var_7 "C5'" "O1'" "C5'A" "C4'A" -179.965 20.000 1
CF2 var_8 "O1'" "C5'A" "C4'A" "O4'A" 70.883 20.000 3
CF2 var_9 "C5'A" "C4'A" "C3'A" "C2'A" -150.000 20.000 3
CF2 var_10 "C4'A" "C3'A" "O3'A" HAD 174.173 20.000 1
CF2 var_11 "C4'A" "C3'A" "C2'A" "C1'A" 30.000 20.000 3
CF2 var_12 "C5'A" "C4'A" "O4'A" "C1'A" 150.000 20.000 1
CF2 var_13 "C4'A" "O4'A" "C1'A" N9A -150.000 20.000 1
CF2 var_14 "O4'A" "C1'A" "C2'A" "C3'A" 0.000 20.000 3
CF2 var_15 "O4'A" "C1'A" N9A C8A 23.568 20.000 1
CF2 CONST_18 "C1'A" N9A C4AA N3A 0.000 0.000 0
CF2 CONST_19 N9A C4AA N3A C2A 180.000 0.000 0
CF2 CONST_20 C4AA N3A C2A N1A 0.000 0.000 0
CF2 CONST_21 N3A C2A N2A "HA'1" -179.965 0.000 0
CF2 CONST_22 N3A C2A N1A C6A 0.000 0.000 0
CF2 CONST_23 "C1'A" N9A C8A N7A 180.000 0.000 0
CF2 CONST_24 N9A C8A N7A C5AA 0.000 0.000 0
CF2 CONST_25 C8A N7A C5AA C6A 180.000 0.000 0
CF2 CONST_26 N7A C5AA C4AA N9A 0.000 0.000 0
CF2 CONST_27 N7A C5AA C6A O6A 0.000 0.000 0
CF2 CONST_28 C5AA C6A N1A C2A 0.000 0.000 0
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
CF2 chir_01 "C1'A" N9A "C2'A" "O4'A" negativ
CF2 chir_02 "C3'A" "C2'A" "O3'A" "C4'A" positiv
CF2 chir_03 "C4'A" "C3'A" "O4'A" "C5'A" 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
CF2 plan-1 C6A 0.020
CF2 plan-1 O6A 0.020
CF2 plan-1 N1A 0.020
CF2 plan-1 C5AA 0.020
CF2 plan-1 C2A 0.020
CF2 plan-1 N3A 0.020
CF2 plan-1 "HA'" 0.020
CF2 plan-1 N2A 0.020
CF2 plan-1 C4AA 0.020
CF2 plan-1 N7A 0.020
CF2 plan-1 C8A 0.020
CF2 plan-1 N9A 0.020
CF2 plan-1 HAA 0.020
CF2 plan-1 "C1'A" 0.020
CF2 plan-1 "HA'2" 0.020
CF2 plan-1 "HA'1" 0.020
CF2 plan-2 N2A 0.020
CF2 plan-2 C2A 0.020
CF2 plan-2 "HA'1" 0.020
CF2 plan-2 "HA'2" 0.020
CF2 plan-3 "C5'" 0.020
CF2 plan-3 "O1'" 0.020
CF2 plan-3 "O2'" 0.020
CF2 plan-3 "N1'" 0.020
CF2 plan-3 "H1'" 0.020
CF2 plan-4 "N1'" 0.020
CF2 plan-4 "C5'" 0.020
CF2 plan-4 "C4'" 0.020
CF2 plan-4 "H1'" 0.020
CF2 plan-5 N10 0.020
CF2 plan-5 "C1'" 0.020
CF2 plan-5 C9A 0.020
CF2 plan-5 C10 0.020
CF2 plan-5 C5A 0.020
CF2 plan-5 C9 0.020
CF2 plan-5 C6 0.020
CF2 plan-5 C7 0.020
CF2 plan-5 C8 0.020
CF2 plan-5 N5 0.020
CF2 plan-5 H6 0.020
CF2 plan-5 C7M 0.020
CF2 plan-5 C8M 0.020
CF2 plan-5 H9 0.020
CF2 plan-5 C4A 0.020
CF2 plan-5 C4 0.020
CF2 plan-5 N3 0.020
CF2 plan-5 N1 0.020
CF2 plan-5 C2 0.020
CF2 plan-5 O4 0.020
CF2 plan-5 H3 0.020
CF2 plan-5 O2 0.020
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