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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
MMP MMP 'N-METHYLMESOPORPHYRIN ' non-polymer 81 43 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MMP
#
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
MMP O42 O OC -0.500 0.000 0.000 0.000
MMP C49 C C 0.000 -0.613 -0.054 -1.089
MMP O41 O OC -0.500 -0.039 -0.068 -2.201
MMP C48 C CH2 0.000 -2.116 -0.084 -1.211
MMP H481 H H 0.000 -2.405 -1.000 -1.730
MMP H482 H H 0.000 -2.435 0.781 -1.797
MMP C47 C CH2 0.000 -2.782 -0.044 0.160
MMP H471 H H 0.000 -2.510 0.892 0.654
MMP H472 H H 0.000 -2.417 -0.886 0.752
MMP C42 C CR5 0.000 -4.254 -0.128 0.033
MMP C43 C CR5 0.000 -5.199 0.815 -0.084
MMP C46 C CH3 0.000 -4.995 2.293 -0.129
MMP H463 H H 0.000 -4.753 2.642 0.840
MMP H462 H H 0.000 -4.203 2.516 -0.794
MMP H461 H H 0.000 -5.883 2.759 -0.463
MMP C44 C CR5 0.000 -6.517 0.198 -0.168
MMP N4 N NRD5 0.000 -6.352 -1.166 -0.093
MMP C45 C C1 0.000 -7.674 0.861 -0.317
MMP H45 H H 0.000 -7.612 1.935 -0.365
MMP C11 C CR5 0.000 -8.973 0.294 -0.418
MMP C41 C CR5 0.000 -5.070 -1.360 0.020
MMP C35 C C1 0.000 -4.376 -2.668 0.116
MMP H35 H H 0.000 -3.302 -2.696 0.040
MMP C34 C CR5 0.000 -5.045 -3.816 0.294
MMP N3 N NR15 0.000 -6.394 -4.027 0.422
MMP HN3 H H 0.000 -7.101 -3.265 0.390
MMP C33 C CR5 0.000 -4.435 -5.150 0.398
MMP C37 C CH2 0.000 -2.965 -5.376 0.311
MMP H371 H H 0.000 -2.703 -6.245 0.917
MMP H372 H H 0.000 -2.448 -4.495 0.697
MMP C38 C CH2 0.000 -2.549 -5.618 -1.133
MMP H381 H H 0.000 -2.787 -4.727 -1.718
MMP H382 H H 0.000 -3.115 -6.468 -1.520
MMP C39 C C 0.000 -1.072 -5.907 -1.234
MMP O32 O OC -0.500 -0.295 -5.932 -0.253
MMP O31 O OC -0.500 -0.698 -6.100 -2.412
MMP C32 C CR5 0.000 -5.423 -6.059 0.578
MMP C36 C CH3 0.000 -5.314 -7.538 0.739
MMP H363 H H 0.000 -5.246 -7.773 1.768
MMP H362 H H 0.000 -6.171 -7.998 0.324
MMP H361 H H 0.000 -4.448 -7.881 0.237
MMP C31 C CR5 0.000 -6.711 -5.349 0.598
MMP C25 C C1 0.000 -7.912 -5.921 0.761
MMP H25 H H 0.000 -7.968 -6.989 0.891
MMP C24 C CR5 0.000 -9.167 -5.130 0.768
MMP N2 N NRD5 0.000 -9.297 -3.876 0.444
MMP C23 C CR5 0.000 -10.423 -5.805 1.158
MMP C27 C CH2 0.000 -10.574 -7.215 1.579
MMP H271 H H 0.000 -11.399 -7.281 2.291
MMP H272 H H 0.000 -9.650 -7.537 2.063
MMP C28 C CH3 0.000 -10.860 -8.110 0.385
MMP H283 H H 0.000 -11.761 -7.802 -0.081
MMP H282 H H 0.000 -10.063 -8.041 -0.309
MMP H281 H H 0.000 -10.958 -9.114 0.711
MMP C22 C CR5 0.000 -11.308 -4.807 1.029
MMP C26 C CH3 0.000 -12.777 -4.868 1.290
MMP H263 H H 0.000 -12.954 -4.740 2.325
MMP H262 H H 0.000 -13.260 -4.097 0.749
MMP H261 H H 0.000 -13.149 -5.808 0.979
MMP C21 C CR5 0.000 -10.635 -3.593 0.584
MMP C15 C C1 0.000 -11.240 -2.421 0.333
MMP H15 H H 0.000 -12.305 -2.384 0.490
MMP C14 C CR5 0.000 -10.623 -1.225 -0.117
MMP N1 N NT 0.000 -9.277 -0.970 0.040
MMP C1 C CH3 0.000 -8.619 -1.441 1.268
MMP H13 H H 0.000 -8.234 -0.612 1.803
MMP H12 H H 0.000 -9.323 -1.954 1.871
MMP H11 H H 0.000 -7.827 -2.096 1.015
MMP C13 C CR5 0.000 -11.177 -0.105 -0.709
MMP C17 C CH2 0.000 -12.601 0.083 -1.069
MMP H171 H H 0.000 -12.834 1.145 -0.964
MMP H172 H H 0.000 -13.202 -0.492 -0.361
MMP C18 C CH3 0.000 -12.915 -0.373 -2.496
MMP H183 H H 0.000 -12.692 -1.404 -2.599
MMP H182 H H 0.000 -13.944 -0.216 -2.702
MMP H181 H H 0.000 -12.332 0.183 -3.185
MMP C12 C CR5 0.000 -10.148 0.842 -0.896
MMP C16 C CH3 0.000 -10.310 2.190 -1.486
MMP H163 H H 0.000 -10.186 2.918 -0.729
MMP H162 H H 0.000 -9.582 2.329 -2.239
MMP H161 H H 0.000 -11.277 2.272 -1.905
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
MMP O42 n/a C49 START
MMP C49 O42 C48 .
MMP O41 C49 . .
MMP C48 C49 C47 .
MMP H481 C48 . .
MMP H482 C48 . .
MMP C47 C48 C42 .
MMP H471 C47 . .
MMP H472 C47 . .
MMP C42 C47 C41 .
MMP C43 C42 C44 .
MMP C46 C43 H461 .
MMP H463 C46 . .
MMP H462 C46 . .
MMP H461 C46 . .
MMP C44 C43 C45 .
MMP N4 C44 . .
MMP C45 C44 C11 .
MMP H45 C45 . .
MMP C11 C45 . .
MMP C41 C42 C35 .
MMP C35 C41 C34 .
MMP H35 C35 . .
MMP C34 C35 C33 .
MMP N3 C34 HN3 .
MMP HN3 N3 . .
MMP C33 C34 C32 .
MMP C37 C33 C38 .
MMP H371 C37 . .
MMP H372 C37 . .
MMP C38 C37 C39 .
MMP H381 C38 . .
MMP H382 C38 . .
MMP C39 C38 O31 .
MMP O32 C39 . .
MMP O31 C39 . .
MMP C32 C33 C31 .
MMP C36 C32 H361 .
MMP H363 C36 . .
MMP H362 C36 . .
MMP H361 C36 . .
MMP C31 C32 C25 .
MMP C25 C31 C24 .
MMP H25 C25 . .
MMP C24 C25 C23 .
MMP N2 C24 . .
MMP C23 C24 C22 .
MMP C27 C23 C28 .
MMP H271 C27 . .
MMP H272 C27 . .
MMP C28 C27 H281 .
MMP H283 C28 . .
MMP H282 C28 . .
MMP H281 C28 . .
MMP C22 C23 C21 .
MMP C26 C22 H261 .
MMP H263 C26 . .
MMP H262 C26 . .
MMP H261 C26 . .
MMP C21 C22 C15 .
MMP C15 C21 C14 .
MMP H15 C15 . .
MMP C14 C15 C13 .
MMP N1 C14 C1 .
MMP C1 N1 H11 .
MMP H13 C1 . .
MMP H12 C1 . .
MMP H11 C1 . .
MMP C13 C14 C12 .
MMP C17 C13 C18 .
MMP H171 C17 . .
MMP H172 C17 . .
MMP C18 C17 H181 .
MMP H183 C18 . .
MMP H182 C18 . .
MMP H181 C18 . .
MMP C12 C13 C16 .
MMP C16 C12 H161 .
MMP H163 C16 . .
MMP H162 C16 . .
MMP H161 C16 . END
MMP N1 C11 . ADD
MMP C11 C12 . ADD
MMP N2 C21 . ADD
MMP N3 C31 . ADD
MMP N4 C41 . 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
MMP C1 N1 single 1.469 0.020
MMP H11 C1 single 1.059 0.020
MMP H12 C1 single 1.059 0.020
MMP H13 C1 single 1.059 0.020
MMP N1 C11 single 1.455 0.020
MMP N1 C14 single 1.455 0.020
MMP C11 C12 double 1.490 0.020
MMP C11 C45 single 1.483 0.020
MMP C12 C13 single 1.490 0.020
MMP C16 C12 single 1.506 0.020
MMP C13 C14 double 1.490 0.020
MMP C17 C13 single 1.510 0.020
MMP C14 C15 single 1.483 0.020
MMP C15 C21 double 1.483 0.020
MMP H15 C15 single 1.077 0.020
MMP H161 C16 single 1.059 0.020
MMP H162 C16 single 1.059 0.020
MMP H163 C16 single 1.059 0.020
MMP C18 C17 single 1.513 0.020
MMP H171 C17 single 1.092 0.020
MMP H172 C17 single 1.092 0.020
MMP H181 C18 single 1.059 0.020
MMP H182 C18 single 1.059 0.020
MMP H183 C18 single 1.059 0.020
MMP N2 C21 single 1.350 0.020
MMP N2 C24 double 1.350 0.020
MMP C21 C22 single 1.490 0.020
MMP C22 C23 double 1.490 0.020
MMP C26 C22 single 1.506 0.020
MMP C23 C24 single 1.490 0.020
MMP C27 C23 single 1.510 0.020
MMP C24 C25 single 1.483 0.020
MMP C25 C31 double 1.483 0.020
MMP H25 C25 single 1.077 0.020
MMP H261 C26 single 1.059 0.020
MMP H262 C26 single 1.059 0.020
MMP H263 C26 single 1.059 0.020
MMP C28 C27 single 1.513 0.020
MMP H271 C27 single 1.092 0.020
MMP H272 C27 single 1.092 0.020
MMP H281 C28 single 1.059 0.020
MMP H282 C28 single 1.059 0.020
MMP H283 C28 single 1.059 0.020
MMP N3 C31 single 1.340 0.020
MMP N3 C34 single 1.340 0.020
MMP HN3 N3 single 1.040 0.020
MMP C31 C32 single 1.490 0.020
MMP C32 C33 double 1.490 0.020
MMP C36 C32 single 1.506 0.020
MMP C33 C34 single 1.490 0.020
MMP C37 C33 single 1.510 0.020
MMP C34 C35 double 1.483 0.020
MMP C35 C41 single 1.483 0.020
MMP H35 C35 single 1.077 0.020
MMP H361 C36 single 1.059 0.020
MMP H362 C36 single 1.059 0.020
MMP H363 C36 single 1.059 0.020
MMP C38 C37 single 1.524 0.020
MMP H371 C37 single 1.092 0.020
MMP H372 C37 single 1.092 0.020
MMP C39 C38 single 1.510 0.020
MMP H381 C38 single 1.092 0.020
MMP H382 C38 single 1.092 0.020
MMP O31 C39 deloc 1.250 0.020
MMP O32 C39 deloc 1.250 0.020
MMP N4 C41 double 1.350 0.020
MMP N4 C44 single 1.350 0.020
MMP C41 C42 single 1.490 0.020
MMP C43 C42 double 1.490 0.020
MMP C42 C47 single 1.510 0.020
MMP C44 C43 single 1.490 0.020
MMP C46 C43 single 1.506 0.020
MMP C45 C44 double 1.483 0.020
MMP H45 C45 single 1.077 0.020
MMP H461 C46 single 1.059 0.020
MMP H462 C46 single 1.059 0.020
MMP H463 C46 single 1.059 0.020
MMP C47 C48 single 1.524 0.020
MMP H471 C47 single 1.092 0.020
MMP H472 C47 single 1.092 0.020
MMP C48 C49 single 1.510 0.020
MMP H481 C48 single 1.092 0.020
MMP H482 C48 single 1.092 0.020
MMP O41 C49 deloc 1.250 0.020
MMP C49 O42 deloc 1.250 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
MMP O42 C49 O41 123.000 3.000
MMP O42 C49 C48 118.500 3.000
MMP O41 C49 C48 118.500 3.000
MMP C49 C48 H481 109.470 3.000
MMP C49 C48 H482 109.470 3.000
MMP C49 C48 C47 109.470 3.000
MMP H481 C48 H482 107.900 3.000
MMP H481 C48 C47 109.470 3.000
MMP H482 C48 C47 109.470 3.000
MMP C48 C47 H471 109.470 3.000
MMP C48 C47 H472 109.470 3.000
MMP C48 C47 C42 109.470 3.000
MMP H471 C47 H472 107.900 3.000
MMP H471 C47 C42 109.470 3.000
MMP H472 C47 C42 109.470 3.000
MMP C47 C42 C43 126.000 3.000
MMP C47 C42 C41 126.000 3.000
MMP C43 C42 C41 108.000 3.000
MMP C42 C43 C46 126.000 3.000
MMP C42 C43 C44 108.000 3.000
MMP C46 C43 C44 126.000 3.000
MMP C43 C46 H463 109.470 3.000
MMP C43 C46 H462 109.470 3.000
MMP C43 C46 H461 109.470 3.000
MMP H463 C46 H462 109.470 3.000
MMP H463 C46 H461 109.470 3.000
MMP H462 C46 H461 109.470 3.000
MMP C43 C44 N4 108.000 3.000
MMP C43 C44 C45 117.000 3.000
MMP N4 C44 C45 108.000 3.000
MMP C44 N4 C41 108.000 3.000
MMP C44 C45 H45 120.000 3.000
MMP C44 C45 C11 120.000 3.000
MMP H45 C45 C11 120.000 3.000
MMP C45 C11 N1 108.000 3.000
MMP C45 C11 C12 117.000 3.000
MMP N1 C11 C12 108.000 3.000
MMP C42 C41 C35 117.000 3.000
MMP C42 C41 N4 108.000 3.000
MMP C35 C41 N4 108.000 3.000
MMP C41 C35 H35 120.000 3.000
MMP C41 C35 C34 120.000 3.000
MMP H35 C35 C34 120.000 3.000
MMP C35 C34 N3 108.000 3.000
MMP C35 C34 C33 117.000 3.000
MMP N3 C34 C33 108.000 3.000
MMP C34 N3 HN3 126.000 3.000
MMP C34 N3 C31 108.000 3.000
MMP HN3 N3 C31 126.000 3.000
MMP C34 C33 C37 126.000 3.000
MMP C34 C33 C32 108.000 3.000
MMP C37 C33 C32 126.000 3.000
MMP C33 C37 H371 109.470 3.000
MMP C33 C37 H372 109.470 3.000
MMP C33 C37 C38 109.470 3.000
MMP H371 C37 H372 107.900 3.000
MMP H371 C37 C38 109.470 3.000
MMP H372 C37 C38 109.470 3.000
MMP C37 C38 H381 109.470 3.000
MMP C37 C38 H382 109.470 3.000
MMP C37 C38 C39 109.470 3.000
MMP H381 C38 H382 107.900 3.000
MMP H381 C38 C39 109.470 3.000
MMP H382 C38 C39 109.470 3.000
MMP C38 C39 O32 118.500 3.000
MMP C38 C39 O31 118.500 3.000
MMP O32 C39 O31 123.000 3.000
MMP C33 C32 C36 126.000 3.000
MMP C33 C32 C31 108.000 3.000
MMP C36 C32 C31 126.000 3.000
MMP C32 C36 H363 109.470 3.000
MMP C32 C36 H362 109.470 3.000
MMP C32 C36 H361 109.470 3.000
MMP H363 C36 H362 109.470 3.000
MMP H363 C36 H361 109.470 3.000
MMP H362 C36 H361 109.470 3.000
MMP C32 C31 C25 117.000 3.000
MMP C32 C31 N3 108.000 3.000
MMP C25 C31 N3 108.000 3.000
MMP C31 C25 H25 120.000 3.000
MMP C31 C25 C24 120.000 3.000
MMP H25 C25 C24 120.000 3.000
MMP C25 C24 N2 108.000 3.000
MMP C25 C24 C23 117.000 3.000
MMP N2 C24 C23 108.000 3.000
MMP C24 N2 C21 108.000 3.000
MMP C24 C23 C27 126.000 3.000
MMP C24 C23 C22 108.000 3.000
MMP C27 C23 C22 126.000 3.000
MMP C23 C27 H271 109.470 3.000
MMP C23 C27 H272 109.470 3.000
MMP C23 C27 C28 109.470 3.000
MMP H271 C27 H272 107.900 3.000
MMP H271 C27 C28 109.470 3.000
MMP H272 C27 C28 109.470 3.000
MMP C27 C28 H283 109.470 3.000
MMP C27 C28 H282 109.470 3.000
MMP C27 C28 H281 109.470 3.000
MMP H283 C28 H282 109.470 3.000
MMP H283 C28 H281 109.470 3.000
MMP H282 C28 H281 109.470 3.000
MMP C23 C22 C26 126.000 3.000
MMP C23 C22 C21 108.000 3.000
MMP C26 C22 C21 126.000 3.000
MMP C22 C26 H263 109.470 3.000
MMP C22 C26 H262 109.470 3.000
MMP C22 C26 H261 109.470 3.000
MMP H263 C26 H262 109.470 3.000
MMP H263 C26 H261 109.470 3.000
MMP H262 C26 H261 109.470 3.000
MMP C22 C21 C15 117.000 3.000
MMP C22 C21 N2 108.000 3.000
MMP C15 C21 N2 108.000 3.000
MMP C21 C15 H15 120.000 3.000
MMP C21 C15 C14 120.000 3.000
MMP H15 C15 C14 120.000 3.000
MMP C15 C14 N1 108.000 3.000
MMP C15 C14 C13 117.000 3.000
MMP N1 C14 C13 108.000 3.000
MMP C14 N1 C1 109.500 3.000
MMP C14 N1 C11 109.500 3.000
MMP C1 N1 C11 109.500 3.000
MMP N1 C1 H13 109.470 3.000
MMP N1 C1 H12 109.470 3.000
MMP N1 C1 H11 109.470 3.000
MMP H13 C1 H12 109.470 3.000
MMP H13 C1 H11 109.470 3.000
MMP H12 C1 H11 109.470 3.000
MMP C14 C13 C17 126.000 3.000
MMP C14 C13 C12 108.000 3.000
MMP C17 C13 C12 126.000 3.000
MMP C13 C17 H171 109.470 3.000
MMP C13 C17 H172 109.470 3.000
MMP C13 C17 C18 109.470 3.000
MMP H171 C17 H172 107.900 3.000
MMP H171 C17 C18 109.470 3.000
MMP H172 C17 C18 109.470 3.000
MMP C17 C18 H183 109.470 3.000
MMP C17 C18 H182 109.470 3.000
MMP C17 C18 H181 109.470 3.000
MMP H183 C18 H182 109.470 3.000
MMP H183 C18 H181 109.470 3.000
MMP H182 C18 H181 109.470 3.000
MMP C13 C12 C16 126.000 3.000
MMP C13 C12 C11 108.000 3.000
MMP C16 C12 C11 126.000 3.000
MMP C12 C16 H163 109.470 3.000
MMP C12 C16 H162 109.470 3.000
MMP C12 C16 H161 109.470 3.000
MMP H163 C16 H162 109.470 3.000
MMP H163 C16 H161 109.470 3.000
MMP H162 C16 H161 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
MMP var_1 O42 C49 C48 C47 -0.153 20.000 3
MMP var_2 C49 C48 C47 C42 -177.727 20.000 3
MMP var_3 C48 C47 C42 C41 89.859 20.000 2
MMP CONST_1 C47 C42 C43 C44 180.000 0.000 0
MMP var_4 C42 C43 C46 H461 166.061 20.000 1
MMP CONST_2 C42 C43 C44 C45 180.000 0.000 0
MMP CONST_3 C43 C44 N4 C41 0.000 0.000 0
MMP CONST_4 C44 N4 C41 C42 0.000 0.000 0
MMP CONST_5 C43 C44 C45 C11 179.228 0.000 0
MMP var_5 C44 C45 C11 N1 21.392 20.000 1
MMP CONST_6 C45 C11 C12 C13 180.000 0.000 0
MMP CONST_7 C47 C42 C41 C35 0.000 0.000 0
MMP var_6 C42 C41 C35 C34 170.703 20.000 1
MMP CONST_8 C41 C35 C34 C33 179.961 0.000 0
MMP CONST_9 C35 C34 N3 C31 180.000 0.000 0
MMP CONST_10 C34 N3 C31 C32 0.000 0.000 0
MMP CONST_11 C35 C34 C33 C32 180.000 0.000 0
MMP var_7 C34 C33 C37 C38 -90.101 20.000 2
MMP var_8 C33 C37 C38 C39 -177.559 20.000 3
MMP var_9 C37 C38 C39 O31 -179.469 20.000 3
MMP CONST_12 C34 C33 C32 C31 0.000 0.000 0
MMP var_10 C33 C32 C36 H361 -28.031 20.000 1
MMP CONST_13 C33 C32 C31 C25 180.000 0.000 0
MMP CONST_14 C32 C31 C25 C24 179.990 0.000 0
MMP var_11 C31 C25 C24 C23 -170.805 20.000 1
MMP CONST_15 C25 C24 N2 C21 180.000 0.000 0
MMP CONST_16 C24 N2 C21 C22 0.000 0.000 0
MMP CONST_17 C25 C24 C23 C22 180.000 0.000 0
MMP var_12 C24 C23 C27 C28 -90.658 20.000 2
MMP var_13 C23 C27 C28 H281 179.627 20.000 3
MMP CONST_18 C24 C23 C22 C21 0.000 0.000 0
MMP var_14 C23 C22 C26 H261 -37.065 20.000 1
MMP CONST_19 C23 C22 C21 C15 180.000 0.000 0
MMP CONST_20 C22 C21 C15 C14 -179.133 0.000 0
MMP var_15 C21 C15 C14 C13 161.809 20.000 1
MMP var_16 C15 C14 N1 C1 -30.000 20.000 1
MMP CONST_21 C14 N1 C11 C45 180.000 0.000 0
MMP var_17 C14 N1 C1 H11 121.228 20.000 1
MMP CONST_22 C15 C14 C13 C12 180.000 0.000 0
MMP var_18 C14 C13 C17 C18 -90.862 20.000 2
MMP var_19 C13 C17 C18 H181 -59.898 20.000 3
MMP CONST_23 C14 C13 C12 C16 180.000 0.000 0
MMP var_20 C13 C12 C16 H161 -10.112 20.000 1
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
MMP chir_01 N1 C1 C11 C14 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
MMP plan-1 C11 0.020
MMP plan-1 N1 0.020
MMP plan-1 C12 0.020
MMP plan-1 C45 0.020
MMP plan-1 C13 0.020
MMP plan-1 C14 0.020
MMP plan-1 C16 0.020
MMP plan-1 C17 0.020
MMP plan-1 C15 0.020
MMP plan-1 H45 0.020
MMP plan-1 H15 0.020
MMP plan-2 C15 0.020
MMP plan-2 C14 0.020
MMP plan-2 C21 0.020
MMP plan-2 H15 0.020
MMP plan-2 N2 0.020
MMP plan-2 C22 0.020
MMP plan-2 C23 0.020
MMP plan-2 C26 0.020
MMP plan-2 C24 0.020
MMP plan-2 C27 0.020
MMP plan-2 C25 0.020
MMP plan-2 H25 0.020
MMP plan-3 C25 0.020
MMP plan-3 C24 0.020
MMP plan-3 C31 0.020
MMP plan-3 H25 0.020
MMP plan-3 N3 0.020
MMP plan-3 C32 0.020
MMP plan-3 C33 0.020
MMP plan-3 C36 0.020
MMP plan-3 C34 0.020
MMP plan-3 C37 0.020
MMP plan-3 C35 0.020
MMP plan-3 C41 0.020
MMP plan-3 H35 0.020
MMP plan-3 HN3 0.020
MMP plan-4 C39 0.020
MMP plan-4 C38 0.020
MMP plan-4 O31 0.020
MMP plan-4 O32 0.020
MMP plan-5 N4 0.020
MMP plan-5 C41 0.020
MMP plan-5 C44 0.020
MMP plan-5 C42 0.020
MMP plan-5 C43 0.020
MMP plan-5 C35 0.020
MMP plan-5 C47 0.020
MMP plan-5 C46 0.020
MMP plan-5 C45 0.020
MMP plan-5 C11 0.020
MMP plan-5 H45 0.020
MMP plan-5 H35 0.020
MMP plan-6 C49 0.020
MMP plan-6 C48 0.020
MMP plan-6 O41 0.020
MMP plan-6 O42 0.020
# ------------------------------------------------------
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