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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
C3A C3A '"ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-' non-polymer 76 41 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_C3A
#
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
C3A O30 O O 0.000 0.000 0.000 0.000
C3A C29 C C 0.000 -0.794 -0.374 -0.841
C3A N31 N NH1 0.000 -0.748 0.140 -2.086
C3A H31 H H 0.000 -1.407 -0.171 -2.785
C3A C32 C CH1 0.000 0.259 1.148 -2.427
C3A H32 H H 0.000 1.181 0.992 -1.848
C3A C40 C CH2 0.000 -0.293 2.573 -2.204
C3A H401 H H 0.000 0.005 2.972 -1.233
C3A H402 H H 0.000 -1.382 2.598 -2.288
C3A C39 C CR6 0.000 0.319 3.411 -3.306
C3A C38 C CR16 0.000 0.440 4.785 -3.425
C3A H38 H H 0.000 0.058 5.430 -2.643
C3A C37 C CR16 0.000 1.046 5.336 -4.538
C3A H37 H H 0.000 1.139 6.411 -4.628
C3A C36 C CR16 0.000 1.533 4.512 -5.536
C3A H36 H H 0.000 2.008 4.941 -6.409
C3A C35 C CR16 0.000 1.413 3.141 -5.419
C3A H35 H H 0.000 1.794 2.497 -6.201
C3A C34 C CR6 0.000 0.806 2.588 -4.304
C3A C33 C CH2 0.000 0.554 1.140 -3.942
C3A H332 H H 0.000 1.430 0.518 -4.140
C3A H331 H H 0.000 -0.306 0.736 -4.479
C3A C26 C CR6 0.000 -1.811 -1.391 -0.498
C3A C25 C CR16 0.000 -2.725 -1.822 -1.461
C3A H25 H H 0.000 -2.694 -1.408 -2.462
C3A C24 C CR16 0.000 -3.667 -2.775 -1.136
C3A H24 H H 0.000 -4.371 -3.116 -1.885
C3A C27 C CR16 0.000 -1.861 -1.925 0.790
C3A H27 H H 0.000 -1.154 -1.595 1.542
C3A C28 C CR16 0.000 -2.812 -2.873 1.104
C3A H28 H H 0.000 -2.853 -3.288 2.104
C3A C23 C CR6 0.000 -3.715 -3.296 0.144
C3A C22 C CH2 0.000 -4.751 -4.333 0.494
C3A H221 H H 0.000 -4.356 -4.995 1.268
C3A H222 H H 0.000 -4.993 -4.919 -0.395
C3A C21 C CR5 0.000 -5.994 -3.649 1.002
C3A O20 O O2 0.000 -6.264 -3.335 2.274
C3A N19 N NRD5 0.000 -7.347 -2.793 2.347
C3A N41 N NRD5 0.000 -7.015 -3.257 0.283
C3A C18 C CR5 0.000 -7.883 -2.699 1.158
C3A C16 C C 0.000 -9.196 -2.100 0.831
C3A O17 O O 0.000 -9.580 -2.074 -0.314
C3A C8 C CH1 0.000 -10.054 -1.522 1.928
C3A H8 H H 0.000 -10.002 -2.170 2.814
C3A N7 N NH1 0.000 -11.442 -1.435 1.467
C3A HN7 H H 0.000 -11.643 -1.371 0.479
C3A C5 C C 0.000 -12.450 -1.441 2.361
C3A O6 O O 0.000 -12.208 -1.519 3.549
C3A O4 O O2 0.000 -13.725 -1.363 1.938
C3A C3 C CH2 0.000 -14.812 -1.369 2.901
C3A H31A H H 0.000 -14.703 -0.518 3.576
C3A H32A H H 0.000 -14.781 -2.296 3.478
C3A C2 C C1 0.000 -16.128 -1.271 2.174
C3A H2 H H 0.000 -16.251 -0.560 1.375
C3A C1 C C2 0.000 -17.124 -2.051 2.515
C3A H12 H H 0.000 -16.999 -2.760 3.314
C3A H11A H H 0.000 -18.062 -1.979 1.995
C3A C9 C CH2 0.000 -9.547 -0.124 2.287
C3A H91 H H 0.000 -9.681 0.542 1.432
C3A H92 H H 0.000 -8.487 -0.176 2.545
C3A C10 C CH2 0.000 -10.339 0.413 3.482
C3A H101 H H 0.000 -10.205 -0.254 4.336
C3A H102 H H 0.000 -11.398 0.463 3.223
C3A C11 C CH1 0.000 -9.833 1.812 3.841
C3A H11 H H 0.000 -8.747 1.801 4.007
C3A C15 C CH2 0.000 -10.209 2.831 2.738
C3A H151 H H 0.000 -11.197 2.643 2.313
C3A H152 H H 0.000 -9.470 2.869 1.934
C3A N14 N NH1 0.000 -10.219 4.129 3.465
C3A H14 H H 0.000 -9.887 5.020 3.124
C3A C13 C CH2 0.000 -10.813 3.847 4.790
C3A H131 H H 0.000 -11.886 4.047 4.780
C3A H132 H H 0.000 -10.337 4.456 5.561
C3A C12 C CH2 0.000 -10.569 2.356 5.087
C3A H122 H H 0.000 -11.508 1.815 5.222
C3A H121 H H 0.000 -9.942 2.220 5.970
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
C3A O30 n/a C29 START
C3A C29 O30 C26 .
C3A N31 C29 C32 .
C3A H31 N31 . .
C3A C32 N31 C40 .
C3A H32 C32 . .
C3A C40 C32 C39 .
C3A H401 C40 . .
C3A H402 C40 . .
C3A C39 C40 C34 .
C3A C38 C39 C37 .
C3A H38 C38 . .
C3A C37 C38 C36 .
C3A H37 C37 . .
C3A C36 C37 C35 .
C3A H36 C36 . .
C3A C35 C36 H35 .
C3A H35 C35 . .
C3A C34 C39 C33 .
C3A C33 C34 H331 .
C3A H332 C33 . .
C3A H331 C33 . .
C3A C26 C29 C27 .
C3A C25 C26 C24 .
C3A H25 C25 . .
C3A C24 C25 H24 .
C3A H24 C24 . .
C3A C27 C26 C28 .
C3A H27 C27 . .
C3A C28 C27 C23 .
C3A H28 C28 . .
C3A C23 C28 C22 .
C3A C22 C23 C21 .
C3A H221 C22 . .
C3A H222 C22 . .
C3A C21 C22 N41 .
C3A O20 C21 N19 .
C3A N19 O20 . .
C3A N41 C21 C18 .
C3A C18 N41 C16 .
C3A C16 C18 C8 .
C3A O17 C16 . .
C3A C8 C16 C9 .
C3A H8 C8 . .
C3A N7 C8 C5 .
C3A HN7 N7 . .
C3A C5 N7 O4 .
C3A O6 C5 . .
C3A O4 C5 C3 .
C3A C3 O4 C2 .
C3A H31A C3 . .
C3A H32A C3 . .
C3A C2 C3 C1 .
C3A H2 C2 . .
C3A C1 C2 H11A .
C3A H12 C1 . .
C3A H11A C1 . .
C3A C9 C8 C10 .
C3A H91 C9 . .
C3A H92 C9 . .
C3A C10 C9 C11 .
C3A H101 C10 . .
C3A H102 C10 . .
C3A C11 C10 C15 .
C3A H11 C11 . .
C3A C15 C11 N14 .
C3A H151 C15 . .
C3A H152 C15 . .
C3A N14 C15 C13 .
C3A H14 N14 . .
C3A C13 N14 C12 .
C3A H131 C13 . .
C3A H132 C13 . .
C3A C12 C13 H121 .
C3A H122 C12 . .
C3A H121 C12 . END
C3A C11 C12 . ADD
C3A C18 N19 . ADD
C3A C23 C24 . ADD
C3A C32 C33 . ADD
C3A C34 C35 . 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
C3A C1 C2 double 1.320 0.020
C3A C2 C3 single 1.510 0.020
C3A H2 C2 single 1.077 0.020
C3A O4 C5 single 1.454 0.020
C3A O6 C5 double 1.220 0.020
C3A C5 N7 single 1.330 0.020
C3A H11A C1 single 1.077 0.020
C3A H12 C1 single 1.077 0.020
C3A C3 O4 single 1.426 0.020
C3A H31A C3 single 1.092 0.020
C3A H32A C3 single 1.092 0.020
C3A C9 C8 single 1.524 0.020
C3A N7 C8 single 1.450 0.020
C3A C8 C16 single 1.500 0.020
C3A H8 C8 single 1.099 0.020
C3A C10 C9 single 1.524 0.020
C3A H91 C9 single 1.092 0.020
C3A H92 C9 single 1.092 0.020
C3A HN7 N7 single 1.010 0.020
C3A C11 C10 single 1.524 0.020
C3A H101 C10 single 1.092 0.020
C3A H102 C10 single 1.092 0.020
C3A C11 C12 single 1.524 0.020
C3A C15 C11 single 1.524 0.020
C3A H11 C11 single 1.099 0.020
C3A C12 C13 single 1.524 0.020
C3A H121 C12 single 1.092 0.020
C3A H122 C12 single 1.092 0.020
C3A C13 N14 single 1.450 0.020
C3A H131 C13 single 1.092 0.020
C3A H132 C13 single 1.092 0.020
C3A N14 C15 single 1.450 0.020
C3A H14 N14 single 1.010 0.020
C3A H151 C15 single 1.092 0.020
C3A H152 C15 single 1.092 0.020
C3A O17 C16 double 1.220 0.020
C3A C16 C18 single 1.490 0.020
C3A C18 N19 double 1.350 0.020
C3A C18 N41 single 1.350 0.020
C3A N19 O20 single 1.337 0.020
C3A O20 C21 single 1.370 0.020
C3A C21 C22 single 1.510 0.020
C3A N41 C21 double 1.350 0.020
C3A C22 C23 single 1.511 0.020
C3A H221 C22 single 1.092 0.020
C3A H222 C22 single 1.092 0.020
C3A C23 C24 single 1.390 0.020
C3A C23 C28 double 1.390 0.020
C3A C24 C25 double 1.390 0.020
C3A H24 C24 single 1.083 0.020
C3A C25 C26 single 1.390 0.020
C3A H25 C25 single 1.083 0.020
C3A C27 C26 double 1.390 0.020
C3A C26 C29 single 1.500 0.020
C3A C28 C27 single 1.390 0.020
C3A H27 C27 single 1.083 0.020
C3A H28 C28 single 1.083 0.020
C3A C29 O30 double 1.220 0.020
C3A N31 C29 single 1.330 0.020
C3A C32 N31 single 1.450 0.020
C3A H31 N31 single 1.010 0.020
C3A C32 C33 single 1.524 0.020
C3A C40 C32 single 1.524 0.020
C3A H32 C32 single 1.099 0.020
C3A C33 C34 single 1.511 0.020
C3A H331 C33 single 1.092 0.020
C3A H332 C33 single 1.092 0.020
C3A C34 C35 double 1.390 0.020
C3A C34 C39 single 1.487 0.020
C3A C35 C36 single 1.390 0.020
C3A H35 C35 single 1.083 0.020
C3A C36 C37 double 1.390 0.020
C3A H36 C36 single 1.083 0.020
C3A C37 C38 single 1.390 0.020
C3A H37 C37 single 1.083 0.020
C3A C38 C39 double 1.390 0.020
C3A H38 C38 single 1.083 0.020
C3A C39 C40 single 1.511 0.020
C3A H401 C40 single 1.092 0.020
C3A H402 C40 single 1.092 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
C3A O30 C29 N31 123.000 3.000
C3A O30 C29 C26 120.500 3.000
C3A N31 C29 C26 120.000 3.000
C3A C29 N31 H31 120.000 3.000
C3A C29 N31 C32 121.500 3.000
C3A H31 N31 C32 118.500 3.000
C3A N31 C32 H32 108.550 3.000
C3A N31 C32 C40 110.000 3.000
C3A N31 C32 C33 110.000 3.000
C3A H32 C32 C40 108.340 3.000
C3A H32 C32 C33 108.340 3.000
C3A C40 C32 C33 109.470 3.000
C3A C32 C40 H401 109.470 3.000
C3A C32 C40 H402 109.470 3.000
C3A C32 C40 C39 109.470 3.000
C3A H401 C40 H402 107.900 3.000
C3A H401 C40 C39 109.470 3.000
C3A H402 C40 C39 109.470 3.000
C3A C40 C39 C38 120.000 3.000
C3A C40 C39 C34 120.000 3.000
C3A C38 C39 C34 120.000 3.000
C3A C39 C38 H38 120.000 3.000
C3A C39 C38 C37 120.000 3.000
C3A H38 C38 C37 120.000 3.000
C3A C38 C37 H37 120.000 3.000
C3A C38 C37 C36 120.000 3.000
C3A H37 C37 C36 120.000 3.000
C3A C37 C36 H36 120.000 3.000
C3A C37 C36 C35 120.000 3.000
C3A H36 C36 C35 120.000 3.000
C3A C36 C35 H35 120.000 3.000
C3A C36 C35 C34 120.000 3.000
C3A H35 C35 C34 120.000 3.000
C3A C39 C34 C33 120.000 3.000
C3A C39 C34 C35 120.000 3.000
C3A C33 C34 C35 120.000 3.000
C3A C34 C33 H332 109.470 3.000
C3A C34 C33 H331 109.470 3.000
C3A C34 C33 C32 109.470 3.000
C3A H332 C33 H331 107.900 3.000
C3A H332 C33 C32 109.470 3.000
C3A H331 C33 C32 109.470 3.000
C3A C29 C26 C25 120.000 3.000
C3A C29 C26 C27 120.000 3.000
C3A C25 C26 C27 120.000 3.000
C3A C26 C25 H25 120.000 3.000
C3A C26 C25 C24 120.000 3.000
C3A H25 C25 C24 120.000 3.000
C3A C25 C24 H24 120.000 3.000
C3A C25 C24 C23 120.000 3.000
C3A H24 C24 C23 120.000 3.000
C3A C26 C27 H27 120.000 3.000
C3A C26 C27 C28 120.000 3.000
C3A H27 C27 C28 120.000 3.000
C3A C27 C28 H28 120.000 3.000
C3A C27 C28 C23 120.000 3.000
C3A H28 C28 C23 120.000 3.000
C3A C28 C23 C22 120.000 3.000
C3A C28 C23 C24 120.000 3.000
C3A C22 C23 C24 120.000 3.000
C3A C23 C22 H221 109.470 3.000
C3A C23 C22 H222 109.470 3.000
C3A C23 C22 C21 109.500 3.000
C3A H221 C22 H222 107.900 3.000
C3A H221 C22 C21 109.470 3.000
C3A H222 C22 C21 109.470 3.000
C3A C22 C21 O20 126.000 3.000
C3A C22 C21 N41 126.000 3.000
C3A O20 C21 N41 108.000 3.000
C3A C21 O20 N19 120.000 3.000
C3A O20 N19 C18 108.000 3.000
C3A C21 N41 C18 108.000 3.000
C3A N41 C18 C16 126.000 3.000
C3A N41 C18 N19 108.000 3.000
C3A C16 C18 N19 126.000 3.000
C3A C18 C16 O17 120.500 3.000
C3A C18 C16 C8 120.000 3.000
C3A O17 C16 C8 120.500 3.000
C3A C16 C8 H8 108.810 3.000
C3A C16 C8 N7 111.600 3.000
C3A C16 C8 C9 109.470 3.000
C3A H8 C8 N7 108.550 3.000
C3A H8 C8 C9 108.340 3.000
C3A N7 C8 C9 110.000 3.000
C3A C8 N7 HN7 118.500 3.000
C3A C8 N7 C5 121.500 3.000
C3A HN7 N7 C5 120.000 3.000
C3A N7 C5 O6 123.000 3.000
C3A N7 C5 O4 118.000 3.000
C3A O6 C5 O4 119.000 3.000
C3A C5 O4 C3 120.000 3.000
C3A O4 C3 H31A 109.470 3.000
C3A O4 C3 H32A 109.470 3.000
C3A O4 C3 C2 109.500 3.000
C3A H31A C3 H32A 107.900 3.000
C3A H31A C3 C2 109.470 3.000
C3A H32A C3 C2 109.470 3.000
C3A C3 C2 H2 120.000 3.000
C3A C3 C2 C1 120.000 3.000
C3A H2 C2 C1 120.000 3.000
C3A C2 C1 H12 120.000 3.000
C3A C2 C1 H11A 120.000 3.000
C3A H12 C1 H11A 120.000 3.000
C3A C8 C9 H91 109.470 3.000
C3A C8 C9 H92 109.470 3.000
C3A C8 C9 C10 111.000 3.000
C3A H91 C9 H92 107.900 3.000
C3A H91 C9 C10 109.470 3.000
C3A H92 C9 C10 109.470 3.000
C3A C9 C10 H101 109.470 3.000
C3A C9 C10 H102 109.470 3.000
C3A C9 C10 C11 111.000 3.000
C3A H101 C10 H102 107.900 3.000
C3A H101 C10 C11 109.470 3.000
C3A H102 C10 C11 109.470 3.000
C3A C10 C11 H11 108.340 3.000
C3A C10 C11 C15 109.470 3.000
C3A C10 C11 C12 109.470 3.000
C3A H11 C11 C15 108.340 3.000
C3A H11 C11 C12 108.340 3.000
C3A C15 C11 C12 109.470 3.000
C3A C11 C15 H151 109.470 3.000
C3A C11 C15 H152 109.470 3.000
C3A C11 C15 N14 110.000 3.000
C3A H151 C15 H152 107.900 3.000
C3A H151 C15 N14 109.470 3.000
C3A H152 C15 N14 109.470 3.000
C3A C15 N14 H14 118.500 3.000
C3A C15 N14 C13 120.000 3.000
C3A H14 N14 C13 118.500 3.000
C3A N14 C13 H131 109.470 3.000
C3A N14 C13 H132 109.470 3.000
C3A N14 C13 C12 112.000 3.000
C3A H131 C13 H132 107.900 3.000
C3A H131 C13 C12 109.470 3.000
C3A H132 C13 C12 109.470 3.000
C3A C13 C12 H122 109.470 3.000
C3A C13 C12 H121 109.470 3.000
C3A C13 C12 C11 111.000 3.000
C3A H122 C12 H121 107.900 3.000
C3A H122 C12 C11 109.470 3.000
C3A H121 C12 C11 109.470 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
C3A CONST_1 O30 C29 N31 C32 0.000 0.000 0
C3A var_1 C29 N31 C32 C40 -92.002 20.000 3
C3A var_2 N31 C32 C33 C34 150.000 20.000 3
C3A var_3 N31 C32 C40 C39 -150.000 20.000 3
C3A var_4 C32 C40 C39 C34 30.000 20.000 2
C3A CONST_2 C40 C39 C38 C37 180.000 0.000 0
C3A CONST_3 C39 C38 C37 C36 0.000 0.000 0
C3A CONST_4 C38 C37 C36 C35 0.000 0.000 0
C3A CONST_5 C37 C36 C35 C34 0.000 0.000 0
C3A CONST_6 C40 C39 C34 C33 0.000 0.000 0
C3A CONST_7 C39 C34 C35 C36 0.000 0.000 0
C3A var_5 C39 C34 C33 C32 -30.000 20.000 2
C3A var_6 O30 C29 C26 C27 -0.025 20.000 1
C3A CONST_8 C29 C26 C25 C24 180.000 0.000 0
C3A CONST_9 C26 C25 C24 C23 0.000 0.000 0
C3A CONST_10 C29 C26 C27 C28 180.000 0.000 0
C3A CONST_11 C26 C27 C28 C23 0.000 0.000 0
C3A CONST_12 C27 C28 C23 C22 180.000 0.000 0
C3A CONST_13 C28 C23 C24 C25 0.000 0.000 0
C3A var_7 C28 C23 C22 C21 90.032 20.000 2
C3A var_8 C23 C22 C21 N41 90.325 20.000 2
C3A CONST_14 C22 C21 O20 N19 180.000 0.000 0
C3A CONST_15 C21 O20 N19 C18 0.000 0.000 0
C3A CONST_16 C22 C21 N41 C18 180.000 0.000 0
C3A CONST_17 C21 N41 C18 C16 180.000 0.000 0
C3A CONST_18 N41 C18 N19 O20 0.000 0.000 0
C3A var_9 N41 C18 C16 C8 179.696 20.000 1
C3A var_10 C18 C16 C8 C9 79.997 20.000 3
C3A var_11 C16 C8 N7 C5 155.015 20.000 3
C3A CONST_19 C8 N7 C5 O4 180.000 0.000 0
C3A var_12 N7 C5 O4 C3 -179.976 20.000 1
C3A var_13 C5 O4 C3 C2 179.965 20.000 1
C3A var_14 O4 C3 C2 C1 134.969 20.000 1
C3A CONST_20 C3 C2 C1 H11A -179.982 0.000 0
C3A var_15 C16 C8 C9 C10 -175.068 20.000 3
C3A var_16 C8 C9 C10 C11 -179.989 20.000 3
C3A var_17 C9 C10 C11 C15 68.853 20.000 3
C3A var_18 C10 C11 C12 C13 -150.000 20.000 3
C3A var_19 C10 C11 C15 N14 150.000 20.000 3
C3A var_20 C11 C15 N14 C13 -30.000 20.000 3
C3A var_21 C15 N14 C13 C12 30.000 20.000 3
C3A var_22 N14 C13 C12 C11 0.000 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
C3A chir_01 C8 C9 N7 C16 negativ
C3A chir_02 C11 C10 C12 C15 positiv
C3A chir_03 C32 N31 C33 C40 negativ
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
C3A plan-1 C2 0.020
C3A plan-1 C1 0.020
C3A plan-1 C3 0.020
C3A plan-1 H2 0.020
C3A plan-1 H11A 0.020
C3A plan-1 H12 0.020
C3A plan-2 C5 0.020
C3A plan-2 O4 0.020
C3A plan-2 O6 0.020
C3A plan-2 N7 0.020
C3A plan-2 HN7 0.020
C3A plan-3 N7 0.020
C3A plan-3 C5 0.020
C3A plan-3 C8 0.020
C3A plan-3 HN7 0.020
C3A plan-4 N14 0.020
C3A plan-4 C13 0.020
C3A plan-4 C15 0.020
C3A plan-4 H14 0.020
C3A plan-5 C16 0.020
C3A plan-5 C8 0.020
C3A plan-5 O17 0.020
C3A plan-5 C18 0.020
C3A plan-6 C18 0.020
C3A plan-6 C16 0.020
C3A plan-6 N19 0.020
C3A plan-6 N41 0.020
C3A plan-6 O20 0.020
C3A plan-6 C21 0.020
C3A plan-6 C22 0.020
C3A plan-7 C23 0.020
C3A plan-7 C22 0.020
C3A plan-7 C24 0.020
C3A plan-7 C28 0.020
C3A plan-7 C25 0.020
C3A plan-7 C26 0.020
C3A plan-7 C27 0.020
C3A plan-7 H24 0.020
C3A plan-7 H25 0.020
C3A plan-7 C29 0.020
C3A plan-7 H27 0.020
C3A plan-7 H28 0.020
C3A plan-8 C29 0.020
C3A plan-8 C26 0.020
C3A plan-8 O30 0.020
C3A plan-8 N31 0.020
C3A plan-8 H31 0.020
C3A plan-9 N31 0.020
C3A plan-9 C29 0.020
C3A plan-9 C32 0.020
C3A plan-9 H31 0.020
C3A plan-10 C34 0.020
C3A plan-10 C33 0.020
C3A plan-10 C35 0.020
C3A plan-10 C39 0.020
C3A plan-10 C36 0.020
C3A plan-10 C37 0.020
C3A plan-10 C38 0.020
C3A plan-10 H35 0.020
C3A plan-10 H36 0.020
C3A plan-10 H37 0.020
C3A plan-10 H38 0.020
C3A plan-10 C40 0.020
# ------------------------------------------------------
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