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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
C61 C61 '(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDR' non-polymer 82 34 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_C61
#
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
C61 O30 O O 0.000 0.000 0.000 0.000
C61 C29 C C 0.000 0.643 1.028 0.014
C61 N31 N NH1 0.000 1.834 1.086 -0.614
C61 H31 H H 0.000 2.371 1.942 -0.602
C61 C32 C CH2 0.000 2.351 -0.092 -1.315
C61 H321 H H 0.000 1.651 -0.384 -2.100
C61 H322 H H 0.000 2.465 -0.915 -0.607
C61 C33 C CH2 0.000 3.709 0.240 -1.938
C61 H331 H H 0.000 4.407 0.533 -1.151
C61 H332 H H 0.000 3.593 1.063 -2.646
C61 C34 C CH2 0.000 4.249 -0.991 -2.668
C61 H341 H H 0.000 3.549 -1.283 -3.453
C61 H342 H H 0.000 4.363 -1.813 -1.959
C61 C35 C CH3 0.000 5.607 -0.660 -3.290
C61 H353 H H 0.000 6.289 -0.375 -2.530
C61 H352 H H 0.000 5.985 -1.511 -3.797
C61 H351 H H 0.000 5.499 0.138 -3.980
C61 C27 C CH1 0.000 0.111 2.241 0.734
C61 H27 H H 0.000 -0.005 3.069 0.020
C61 C28 C CH3 0.000 1.091 2.650 1.835
C61 H283 H H 0.000 1.270 1.825 2.475
C61 H282 H H 0.000 2.005 2.962 1.399
C61 H281 H H 0.000 0.679 3.448 2.397
C61 C26 C CH2 0.000 -1.247 1.909 1.356
C61 H261 H H 0.000 -1.576 2.744 1.978
C61 H262 H H 0.000 -1.155 1.012 1.973
C61 C24 C CH1 0.000 -2.271 1.663 0.246
C61 H24 H H 0.000 -1.883 0.905 -0.448
C61 O25 O OH1 0.000 -2.506 2.882 -0.462
C61 H25 H H 0.000 -2.847 3.549 0.149
C61 C22 C CH1 0.000 -3.582 1.169 0.861
C61 H22 H H 0.000 -3.400 0.232 1.406
C61 N23 N NH2 0.000 -4.099 2.183 1.790
C61 H232 H H 0.000 -5.007 2.604 1.633
C61 H231 H H 0.000 -3.551 2.467 2.593
C61 C21 C CH2 0.000 -4.605 0.924 -0.249
C61 H211 H H 0.000 -4.161 0.289 -1.019
C61 H212 H H 0.000 -4.899 1.878 -0.690
C61 C17 C CH1 0.000 -5.837 0.231 0.337
C61 H17 H H 0.000 -5.525 -0.671 0.882
C61 C18 C CH1 0.000 -6.551 1.184 1.297
C61 H18 H H 0.000 -5.837 1.553 2.046
C61 C20 C CH3 0.000 -7.689 0.443 2.000
C61 H203 H H 0.000 -8.117 1.070 2.739
C61 H202 H H 0.000 -8.430 0.176 1.292
C61 H201 H H 0.000 -7.310 -0.434 2.460
C61 C19 C CH3 0.000 -7.122 2.366 0.510
C61 H193 H H 0.000 -7.575 3.052 1.179
C61 H192 H H 0.000 -6.341 2.852 -0.016
C61 H191 H H 0.000 -7.847 2.017 -0.179
C61 C16 C CH2 0.000 -6.789 -0.162 -0.794
C61 H161 H H 0.000 -6.216 -0.599 -1.615
C61 H162 H H 0.000 -7.314 0.727 -1.152
C61 C15 C CR6 0.000 -7.789 -1.167 -0.285
C61 C10 C CR16 0.000 -9.141 -0.890 -0.354
C61 H10 H H 0.000 -9.481 0.049 -0.773
C61 C14 C CR16 0.000 -7.351 -2.364 0.251
C61 H14 H H 0.000 -6.291 -2.577 0.305
C61 C13 C CR16 0.000 -8.265 -3.290 0.720
C61 H13 H H 0.000 -7.920 -4.227 1.139
C61 C12 C CR6 0.000 -9.622 -3.019 0.653
C61 O8 O O2 0.000 -10.523 -3.928 1.115
C61 C9 C CH3 0.000 -9.999 -5.143 1.655
C61 H9C3 H H 0.000 -9.371 -4.921 2.479
C61 H9C2 H H 0.000 -10.797 -5.760 1.977
C61 H9C1 H H 0.000 -9.440 -5.649 0.911
C61 C11 C CR6 0.000 -10.062 -1.813 0.114
C61 O7 O O2 0.000 -11.393 -1.542 0.047
C61 C6 C CH2 0.000 -11.772 -0.286 -0.519
C61 H6C1 H H 0.000 -11.407 -0.225 -1.546
C61 H6C2 H H 0.000 -11.336 0.524 0.069
C61 C5 C CH2 0.000 -13.296 -0.161 -0.510
C61 H5C1 H H 0.000 -13.659 -0.223 0.518
C61 H5C2 H H 0.000 -13.731 -0.972 -1.098
C61 C4 C CH2 0.000 -13.702 1.184 -1.115
C61 H4C1 H H 0.000 -13.337 1.245 -2.142
C61 H4C2 H H 0.000 -13.266 1.994 -0.526
C61 O3 O O2 0.000 -15.126 1.301 -1.106
C61 C2 C CH3 0.000 -15.612 2.529 -1.653
C61 H2C3 H H 0.000 -16.670 2.540 -1.612
C61 H2C2 H H 0.000 -15.229 3.342 -1.093
C61 H2C1 H H 0.000 -15.298 2.616 -2.661
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
C61 O30 n/a C29 START
C61 C29 O30 C27 .
C61 N31 C29 C32 .
C61 H31 N31 . .
C61 C32 N31 C33 .
C61 H321 C32 . .
C61 H322 C32 . .
C61 C33 C32 C34 .
C61 H331 C33 . .
C61 H332 C33 . .
C61 C34 C33 C35 .
C61 H341 C34 . .
C61 H342 C34 . .
C61 C35 C34 H351 .
C61 H353 C35 . .
C61 H352 C35 . .
C61 H351 C35 . .
C61 C27 C29 C26 .
C61 H27 C27 . .
C61 C28 C27 H281 .
C61 H283 C28 . .
C61 H282 C28 . .
C61 H281 C28 . .
C61 C26 C27 C24 .
C61 H261 C26 . .
C61 H262 C26 . .
C61 C24 C26 C22 .
C61 H24 C24 . .
C61 O25 C24 H25 .
C61 H25 O25 . .
C61 C22 C24 C21 .
C61 H22 C22 . .
C61 N23 C22 H231 .
C61 H232 N23 . .
C61 H231 N23 . .
C61 C21 C22 C17 .
C61 H211 C21 . .
C61 H212 C21 . .
C61 C17 C21 C16 .
C61 H17 C17 . .
C61 C18 C17 C19 .
C61 H18 C18 . .
C61 C20 C18 H201 .
C61 H203 C20 . .
C61 H202 C20 . .
C61 H201 C20 . .
C61 C19 C18 H191 .
C61 H193 C19 . .
C61 H192 C19 . .
C61 H191 C19 . .
C61 C16 C17 C15 .
C61 H161 C16 . .
C61 H162 C16 . .
C61 C15 C16 C14 .
C61 C10 C15 H10 .
C61 H10 C10 . .
C61 C14 C15 C13 .
C61 H14 C14 . .
C61 C13 C14 C12 .
C61 H13 C13 . .
C61 C12 C13 C11 .
C61 O8 C12 C9 .
C61 C9 O8 H9C1 .
C61 H9C3 C9 . .
C61 H9C2 C9 . .
C61 H9C1 C9 . .
C61 C11 C12 O7 .
C61 O7 C11 C6 .
C61 C6 O7 C5 .
C61 H6C1 C6 . .
C61 H6C2 C6 . .
C61 C5 C6 C4 .
C61 H5C1 C5 . .
C61 H5C2 C5 . .
C61 C4 C5 O3 .
C61 H4C1 C4 . .
C61 H4C2 C4 . .
C61 O3 C4 C2 .
C61 C2 O3 H2C1 .
C61 H2C3 C2 . .
C61 H2C2 C2 . .
C61 H2C1 C2 . END
C61 C10 C11 . 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
C61 C2 O3 single 1.426 0.020
C61 H2C1 C2 single 1.059 0.020
C61 H2C2 C2 single 1.059 0.020
C61 H2C3 C2 single 1.059 0.020
C61 O3 C4 single 1.426 0.020
C61 C4 C5 single 1.524 0.020
C61 H4C1 C4 single 1.092 0.020
C61 H4C2 C4 single 1.092 0.020
C61 C5 C6 single 1.524 0.020
C61 H5C1 C5 single 1.092 0.020
C61 H5C2 C5 single 1.092 0.020
C61 C6 O7 single 1.426 0.020
C61 H6C1 C6 single 1.092 0.020
C61 H6C2 C6 single 1.092 0.020
C61 O7 C11 single 1.370 0.020
C61 C9 O8 single 1.426 0.020
C61 O8 C12 single 1.370 0.020
C61 H9C1 C9 single 1.059 0.020
C61 H9C2 C9 single 1.059 0.020
C61 H9C3 C9 single 1.059 0.020
C61 C10 C11 double 1.390 0.020
C61 C10 C15 single 1.390 0.020
C61 H10 C10 single 1.083 0.020
C61 C11 C12 single 1.487 0.020
C61 C12 C13 double 1.390 0.020
C61 C13 C14 single 1.390 0.020
C61 H13 C13 single 1.083 0.020
C61 C14 C15 double 1.390 0.020
C61 H14 C14 single 1.083 0.020
C61 C15 C16 single 1.511 0.020
C61 C16 C17 single 1.524 0.020
C61 H161 C16 single 1.092 0.020
C61 H162 C16 single 1.092 0.020
C61 C18 C17 single 1.524 0.020
C61 C17 C21 single 1.524 0.020
C61 H17 C17 single 1.099 0.020
C61 C19 C18 single 1.524 0.020
C61 C20 C18 single 1.524 0.020
C61 H18 C18 single 1.099 0.020
C61 H191 C19 single 1.059 0.020
C61 H192 C19 single 1.059 0.020
C61 H193 C19 single 1.059 0.020
C61 H201 C20 single 1.059 0.020
C61 H202 C20 single 1.059 0.020
C61 H203 C20 single 1.059 0.020
C61 C21 C22 single 1.524 0.020
C61 H211 C21 single 1.092 0.020
C61 H212 C21 single 1.092 0.020
C61 N23 C22 single 1.450 0.020
C61 C22 C24 single 1.524 0.020
C61 H22 C22 single 1.099 0.020
C61 H231 N23 single 1.010 0.020
C61 H232 N23 single 1.010 0.020
C61 O25 C24 single 1.432 0.020
C61 C24 C26 single 1.524 0.020
C61 H24 C24 single 1.099 0.020
C61 H25 O25 single 0.967 0.020
C61 C26 C27 single 1.524 0.020
C61 H261 C26 single 1.092 0.020
C61 H262 C26 single 1.092 0.020
C61 C28 C27 single 1.524 0.020
C61 C27 C29 single 1.500 0.020
C61 H27 C27 single 1.099 0.020
C61 H281 C28 single 1.059 0.020
C61 H282 C28 single 1.059 0.020
C61 H283 C28 single 1.059 0.020
C61 C29 O30 double 1.220 0.020
C61 N31 C29 single 1.330 0.020
C61 C32 N31 single 1.450 0.020
C61 H31 N31 single 1.010 0.020
C61 C33 C32 single 1.524 0.020
C61 H321 C32 single 1.092 0.020
C61 H322 C32 single 1.092 0.020
C61 C34 C33 single 1.524 0.020
C61 H331 C33 single 1.092 0.020
C61 H332 C33 single 1.092 0.020
C61 C35 C34 single 1.513 0.020
C61 H341 C34 single 1.092 0.020
C61 H342 C34 single 1.092 0.020
C61 H351 C35 single 1.059 0.020
C61 H352 C35 single 1.059 0.020
C61 H353 C35 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
C61 O30 C29 N31 123.000 3.000
C61 O30 C29 C27 120.500 3.000
C61 N31 C29 C27 116.500 3.000
C61 C29 N31 H31 120.000 3.000
C61 C29 N31 C32 121.500 3.000
C61 H31 N31 C32 118.500 3.000
C61 N31 C32 H321 109.470 3.000
C61 N31 C32 H322 109.470 3.000
C61 N31 C32 C33 112.000 3.000
C61 H321 C32 H322 107.900 3.000
C61 H321 C32 C33 109.470 3.000
C61 H322 C32 C33 109.470 3.000
C61 C32 C33 H331 109.470 3.000
C61 C32 C33 H332 109.470 3.000
C61 C32 C33 C34 111.000 3.000
C61 H331 C33 H332 107.900 3.000
C61 H331 C33 C34 109.470 3.000
C61 H332 C33 C34 109.470 3.000
C61 C33 C34 H341 109.470 3.000
C61 C33 C34 H342 109.470 3.000
C61 C33 C34 C35 111.000 3.000
C61 H341 C34 H342 107.900 3.000
C61 H341 C34 C35 109.470 3.000
C61 H342 C34 C35 109.470 3.000
C61 C34 C35 H353 109.470 3.000
C61 C34 C35 H352 109.470 3.000
C61 C34 C35 H351 109.470 3.000
C61 H353 C35 H352 109.470 3.000
C61 H353 C35 H351 109.470 3.000
C61 H352 C35 H351 109.470 3.000
C61 C29 C27 H27 108.810 3.000
C61 C29 C27 C28 109.470 3.000
C61 C29 C27 C26 109.470 3.000
C61 H27 C27 C28 108.340 3.000
C61 H27 C27 C26 108.340 3.000
C61 C28 C27 C26 111.000 3.000
C61 C27 C28 H283 109.470 3.000
C61 C27 C28 H282 109.470 3.000
C61 C27 C28 H281 109.470 3.000
C61 H283 C28 H282 109.470 3.000
C61 H283 C28 H281 109.470 3.000
C61 H282 C28 H281 109.470 3.000
C61 C27 C26 H261 109.470 3.000
C61 C27 C26 H262 109.470 3.000
C61 C27 C26 C24 111.000 3.000
C61 H261 C26 H262 107.900 3.000
C61 H261 C26 C24 109.470 3.000
C61 H262 C26 C24 109.470 3.000
C61 C26 C24 H24 108.340 3.000
C61 C26 C24 O25 109.470 3.000
C61 C26 C24 C22 111.000 3.000
C61 H24 C24 O25 109.470 3.000
C61 H24 C24 C22 108.340 3.000
C61 O25 C24 C22 109.470 3.000
C61 C24 O25 H25 109.470 3.000
C61 C24 C22 H22 108.340 3.000
C61 C24 C22 N23 109.470 3.000
C61 C24 C22 C21 111.000 3.000
C61 H22 C22 N23 109.470 3.000
C61 H22 C22 C21 108.340 3.000
C61 N23 C22 C21 109.470 3.000
C61 C22 N23 H232 120.000 3.000
C61 C22 N23 H231 120.000 3.000
C61 H232 N23 H231 120.000 3.000
C61 C22 C21 H211 109.470 3.000
C61 C22 C21 H212 109.470 3.000
C61 C22 C21 C17 111.000 3.000
C61 H211 C21 H212 107.900 3.000
C61 H211 C21 C17 109.470 3.000
C61 H212 C21 C17 109.470 3.000
C61 C21 C17 H17 108.340 3.000
C61 C21 C17 C18 111.000 3.000
C61 C21 C17 C16 109.470 3.000
C61 H17 C17 C18 108.340 3.000
C61 H17 C17 C16 108.340 3.000
C61 C18 C17 C16 111.000 3.000
C61 C17 C18 H18 108.340 3.000
C61 C17 C18 C20 111.000 3.000
C61 C17 C18 C19 111.000 3.000
C61 H18 C18 C20 108.340 3.000
C61 H18 C18 C19 108.340 3.000
C61 C20 C18 C19 111.000 3.000
C61 C18 C20 H203 109.470 3.000
C61 C18 C20 H202 109.470 3.000
C61 C18 C20 H201 109.470 3.000
C61 H203 C20 H202 109.470 3.000
C61 H203 C20 H201 109.470 3.000
C61 H202 C20 H201 109.470 3.000
C61 C18 C19 H193 109.470 3.000
C61 C18 C19 H192 109.470 3.000
C61 C18 C19 H191 109.470 3.000
C61 H193 C19 H192 109.470 3.000
C61 H193 C19 H191 109.470 3.000
C61 H192 C19 H191 109.470 3.000
C61 C17 C16 H161 109.470 3.000
C61 C17 C16 H162 109.470 3.000
C61 C17 C16 C15 109.470 3.000
C61 H161 C16 H162 107.900 3.000
C61 H161 C16 C15 109.470 3.000
C61 H162 C16 C15 109.470 3.000
C61 C16 C15 C10 120.000 3.000
C61 C16 C15 C14 120.000 3.000
C61 C10 C15 C14 120.000 3.000
C61 C15 C10 H10 120.000 3.000
C61 C15 C10 C11 120.000 3.000
C61 H10 C10 C11 120.000 3.000
C61 C15 C14 H14 120.000 3.000
C61 C15 C14 C13 120.000 3.000
C61 H14 C14 C13 120.000 3.000
C61 C14 C13 H13 120.000 3.000
C61 C14 C13 C12 120.000 3.000
C61 H13 C13 C12 120.000 3.000
C61 C13 C12 O8 120.000 3.000
C61 C13 C12 C11 120.000 3.000
C61 O8 C12 C11 120.000 3.000
C61 C12 O8 C9 120.000 3.000
C61 O8 C9 H9C3 109.470 3.000
C61 O8 C9 H9C2 109.470 3.000
C61 O8 C9 H9C1 109.470 3.000
C61 H9C3 C9 H9C2 109.470 3.000
C61 H9C3 C9 H9C1 109.470 3.000
C61 H9C2 C9 H9C1 109.470 3.000
C61 C12 C11 O7 120.000 3.000
C61 C12 C11 C10 120.000 3.000
C61 O7 C11 C10 120.000 3.000
C61 C11 O7 C6 120.000 3.000
C61 O7 C6 H6C1 109.470 3.000
C61 O7 C6 H6C2 109.470 3.000
C61 O7 C6 C5 109.470 3.000
C61 H6C1 C6 H6C2 107.900 3.000
C61 H6C1 C6 C5 109.470 3.000
C61 H6C2 C6 C5 109.470 3.000
C61 C6 C5 H5C1 109.470 3.000
C61 C6 C5 H5C2 109.470 3.000
C61 C6 C5 C4 111.000 3.000
C61 H5C1 C5 H5C2 107.900 3.000
C61 H5C1 C5 C4 109.470 3.000
C61 H5C2 C5 C4 109.470 3.000
C61 C5 C4 H4C1 109.470 3.000
C61 C5 C4 H4C2 109.470 3.000
C61 C5 C4 O3 109.470 3.000
C61 H4C1 C4 H4C2 107.900 3.000
C61 H4C1 C4 O3 109.470 3.000
C61 H4C2 C4 O3 109.470 3.000
C61 C4 O3 C2 111.800 3.000
C61 O3 C2 H2C3 109.470 3.000
C61 O3 C2 H2C2 109.470 3.000
C61 O3 C2 H2C1 109.470 3.000
C61 H2C3 C2 H2C2 109.470 3.000
C61 H2C3 C2 H2C1 109.470 3.000
C61 H2C2 C2 H2C1 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
C61 CONST_1 O30 C29 N31 C32 0.000 0.000 0
C61 var_1 C29 N31 C32 C33 179.971 20.000 3
C61 var_2 N31 C32 C33 C34 179.949 20.000 3
C61 var_3 C32 C33 C34 C35 -179.987 20.000 3
C61 var_4 C33 C34 C35 H351 -60.018 20.000 3
C61 var_5 O30 C29 C27 C26 -0.014 20.000 3
C61 var_6 C29 C27 C28 H281 -175.026 20.000 3
C61 var_7 C29 C27 C26 C24 -66.769 20.000 3
C61 var_8 C27 C26 C24 C22 173.278 20.000 3
C61 var_9 C26 C24 O25 H25 -59.958 20.000 1
C61 var_10 C26 C24 C22 C21 180.000 20.000 3
C61 var_11 C24 C22 N23 H231 -60.316 20.000 1
C61 var_12 C24 C22 C21 C17 171.424 20.000 3
C61 var_13 C22 C21 C17 C16 -173.439 20.000 3
C61 var_14 C21 C17 C18 C19 66.245 20.000 3
C61 var_15 C17 C18 C20 H201 54.001 20.000 3
C61 var_16 C17 C18 C19 H191 62.854 20.000 3
C61 var_17 C21 C17 C16 C15 164.088 20.000 3
C61 var_18 C17 C16 C15 C14 -58.388 20.000 2
C61 CONST_2 C16 C15 C10 C11 180.000 0.000 0
C61 CONST_3 C15 C10 C11 C12 0.000 0.000 0
C61 CONST_4 C16 C15 C14 C13 180.000 0.000 0
C61 CONST_5 C15 C14 C13 C12 0.000 0.000 0
C61 CONST_6 C14 C13 C12 C11 0.000 0.000 0
C61 var_19 C13 C12 O8 C9 -0.045 20.000 1
C61 var_20 C12 O8 C9 H9C1 -59.985 20.000 1
C61 CONST_7 C13 C12 C11 O7 180.000 0.000 0
C61 var_21 C12 C11 O7 C6 -179.974 20.000 1
C61 var_22 C11 O7 C6 C5 179.987 20.000 1
C61 var_23 O7 C6 C5 C4 179.971 20.000 3
C61 var_24 C6 C5 C4 O3 -179.983 20.000 3
C61 var_25 C5 C4 O3 C2 -179.995 20.000 1
C61 var_26 C4 O3 C2 H2C1 59.975 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
C61 chir_01 C17 C16 C18 C21 positiv
C61 chir_02 C18 C17 C19 C20 negativ
C61 chir_03 C22 C21 N23 C24 positiv
C61 chir_04 C24 C22 O25 C26 negativ
C61 chir_05 C27 C26 C28 C29 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
C61 plan-1 C10 0.020
C61 plan-1 C11 0.020
C61 plan-1 C15 0.020
C61 plan-1 H10 0.020
C61 plan-1 C12 0.020
C61 plan-1 C13 0.020
C61 plan-1 C14 0.020
C61 plan-1 O7 0.020
C61 plan-1 O8 0.020
C61 plan-1 H13 0.020
C61 plan-1 H14 0.020
C61 plan-1 C16 0.020
C61 plan-2 N23 0.020
C61 plan-2 C22 0.020
C61 plan-2 H231 0.020
C61 plan-2 H232 0.020
C61 plan-3 C29 0.020
C61 plan-3 C27 0.020
C61 plan-3 O30 0.020
C61 plan-3 N31 0.020
C61 plan-3 H31 0.020
C61 plan-4 N31 0.020
C61 plan-4 C29 0.020
C61 plan-4 C32 0.020
C61 plan-4 H31 0.020
# ------------------------------------------------------
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