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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
MBV MBV 'MESOBILIVERDIN IV ALPHA ' non-polymer 79 43 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MBV
#
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
MBV O5C O OC -0.500 0.000 0.000 0.000
MBV C3C C C 0.000 -1.009 -0.095 -0.734
MBV O4C O OC -0.500 -0.997 -0.664 -1.848
MBV C2C C CH2 0.000 -2.435 0.007 -0.252
MBV H2C1 H H 0.000 -3.126 -0.050 -1.096
MBV H2C2 H H 0.000 -2.590 0.948 0.280
MBV C1C C CH2 0.000 -2.687 -1.159 0.692
MBV H1C1 H H 0.000 -2.684 -0.815 1.728
MBV H1C2 H H 0.000 -1.919 -1.925 0.561
MBV C13 C CR5 0.000 -4.029 -1.734 0.359
MBV C14 C CR5 0.000 -4.436 -2.230 -0.807
MBV C15 C C1 0.000 -3.800 -2.388 -2.074
MBV H15 H H 0.000 -3.767 -1.467 -2.632
MBV C16 C CR5 0.000 -3.233 -3.402 -2.738
MBV C17 C CR5 0.000 -1.877 -3.480 -3.381
MBV C2D C CH2 0.000 -0.809 -2.474 -3.458
MBV H2D1 H H 0.000 0.031 -3.068 -3.093
MBV H2D2 H H 0.000 -1.141 -1.792 -2.671
MBV C3D C CH3 0.000 -0.374 -1.670 -4.679
MBV H3D3 H H 0.000 -0.052 -2.331 -5.443
MBV H3D2 H H 0.000 -1.189 -1.093 -5.035
MBV H3D1 H H 0.000 0.424 -1.024 -4.415
MBV C18 C CR5 0.000 -1.670 -4.578 -3.915
MBV C1D C CH3 0.000 -0.465 -5.204 -4.711
MBV H1D3 H H 0.000 -0.106 -6.073 -4.212
MBV H1D2 H H 0.000 -0.774 -5.477 -5.692
MBV H1D1 H H 0.000 0.331 -4.502 -4.787
MBV C19 C CR5 0.000 -2.881 -5.377 -3.692
MBV O20 O O 0.000 -3.026 -6.554 -4.100
MBV N4 N NR15 0.000 -3.771 -4.616 -2.984
MBV HN4 H H 0.000 -4.717 -4.925 -2.682
MBV N3 N NR15 0.000 -5.819 -2.679 -0.676
MBV HN3 H H 0.000 -6.408 -3.111 -1.416
MBV C12 C CR5 0.000 -5.170 -1.843 1.330
MBV C6C C CH3 0.000 -5.128 -1.384 2.799
MBV H6C3 H H 0.000 -5.868 -0.642 2.967
MBV H6C2 H H 0.000 -5.312 -2.210 3.440
MBV H6C1 H H 0.000 -4.173 -0.978 3.022
MBV C11 C CR5 0.000 -6.208 -2.401 0.702
MBV C10 C C1 0.000 -7.496 -2.649 1.388
MBV H10 H H 0.000 -7.624 -2.242 2.377
MBV C9 C CR5 0.000 -8.513 -3.344 0.864
MBV N2 N NRD5 0.000 -8.521 -4.022 -0.424
MBV C8 C CR5 0.000 -9.848 -3.555 1.516
MBV C6B C CH3 0.000 -10.222 -3.007 2.860
MBV H6B3 H H 0.000 -9.560 -3.390 3.592
MBV H6B2 H H 0.000 -10.154 -1.951 2.840
MBV H6B1 H H 0.000 -11.213 -3.294 3.094
MBV C7 C CR5 0.000 -10.621 -4.296 0.710
MBV C1B C CH2 0.000 -12.024 -4.730 0.990
MBV H1B1 H H 0.000 -12.350 -4.287 1.933
MBV H1B2 H H 0.000 -12.048 -5.819 1.074
MBV C2B C CH2 0.000 -12.952 -4.286 -0.129
MBV H2B1 H H 0.000 -12.358 -3.740 -0.865
MBV H2B2 H H 0.000 -13.703 -3.618 0.299
MBV C3B C C 0.000 -13.636 -5.453 -0.796
MBV O5B O OC -0.500 -14.273 -5.394 -1.872
MBV O4B O OC -0.500 -13.660 -6.426 -0.010
MBV C6 C CR5 0.000 -9.851 -4.628 -0.532
MBV C5 C C1 0.000 -10.272 -5.346 -1.573
MBV HC5 H H 0.000 -11.275 -5.731 -1.496
MBV C4 C CR5 0.000 -9.567 -5.680 -2.796
MBV N1 N NR15 0.000 -8.237 -5.124 -3.048
MBV HN1 H H 0.000 -7.673 -4.554 -2.385
MBV C3 C CR5 0.000 -10.011 -6.300 -3.893
MBV C2A C CH2 0.000 -11.348 -6.969 -4.049
MBV H2A1 H H 0.000 -11.622 -6.919 -5.105
MBV H2A2 H H 0.000 -12.072 -6.403 -3.459
MBV C3A C CH3 0.000 -11.344 -8.421 -3.592
MBV H3A3 H H 0.000 -10.642 -8.971 -4.163
MBV H3A2 H H 0.000 -11.079 -8.470 -2.567
MBV H3A1 H H 0.000 -12.309 -8.838 -3.725
MBV C2 C CR5 0.000 -8.924 -6.264 -4.928
MBV C1A C CH3 0.000 -8.942 -6.980 -6.238
MBV H1A3 H H 0.000 -8.785 -6.285 -7.019
MBV H1A2 H H 0.000 -8.174 -7.708 -6.250
MBV H1A1 H H 0.000 -9.881 -7.452 -6.365
MBV C1 C CR5 0.000 -7.847 -5.513 -4.394
MBV O1 O O 0.000 -6.795 -5.148 -5.004
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
MBV O5C n/a C3C START
MBV C3C O5C C2C .
MBV O4C C3C . .
MBV C2C C3C C1C .
MBV H2C1 C2C . .
MBV H2C2 C2C . .
MBV C1C C2C C13 .
MBV H1C1 C1C . .
MBV H1C2 C1C . .
MBV C13 C1C C12 .
MBV C14 C13 N3 .
MBV C15 C14 C16 .
MBV H15 C15 . .
MBV C16 C15 C17 .
MBV C17 C16 C18 .
MBV C2D C17 C3D .
MBV H2D1 C2D . .
MBV H2D2 C2D . .
MBV C3D C2D H3D1 .
MBV H3D3 C3D . .
MBV H3D2 C3D . .
MBV H3D1 C3D . .
MBV C18 C17 C19 .
MBV C1D C18 H1D1 .
MBV H1D3 C1D . .
MBV H1D2 C1D . .
MBV H1D1 C1D . .
MBV C19 C18 N4 .
MBV O20 C19 . .
MBV N4 C19 HN4 .
MBV HN4 N4 . .
MBV N3 C14 HN3 .
MBV HN3 N3 . .
MBV C12 C13 C11 .
MBV C6C C12 H6C1 .
MBV H6C3 C6C . .
MBV H6C2 C6C . .
MBV H6C1 C6C . .
MBV C11 C12 C10 .
MBV C10 C11 C9 .
MBV H10 C10 . .
MBV C9 C10 C8 .
MBV N2 C9 . .
MBV C8 C9 C7 .
MBV C6B C8 H6B1 .
MBV H6B3 C6B . .
MBV H6B2 C6B . .
MBV H6B1 C6B . .
MBV C7 C8 C6 .
MBV C1B C7 C2B .
MBV H1B1 C1B . .
MBV H1B2 C1B . .
MBV C2B C1B C3B .
MBV H2B1 C2B . .
MBV H2B2 C2B . .
MBV C3B C2B O4B .
MBV O5B C3B . .
MBV O4B C3B . .
MBV C6 C7 C5 .
MBV C5 C6 C4 .
MBV HC5 C5 . .
MBV C4 C5 C3 .
MBV N1 C4 HN1 .
MBV HN1 N1 . .
MBV C3 C4 C2 .
MBV C2A C3 C3A .
MBV H2A1 C2A . .
MBV H2A2 C2A . .
MBV C3A C2A H3A1 .
MBV H3A3 C3A . .
MBV H3A2 C3A . .
MBV H3A1 C3A . .
MBV C2 C3 C1 .
MBV C1A C2 H1A1 .
MBV H1A3 C1A . .
MBV H1A2 C1A . .
MBV H1A1 C1A . .
MBV C1 C2 O1 .
MBV O1 C1 . END
MBV C1 N1 . ADD
MBV C6 N2 . ADD
MBV C11 N3 . ADD
MBV C16 N4 . 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
MBV O1 C1 double 1.285 0.020
MBV C1 N1 single 1.340 0.020
MBV C1 C2 single 1.490 0.020
MBV N1 C4 single 1.340 0.020
MBV HN1 N1 single 1.040 0.020
MBV C3 C4 single 1.490 0.020
MBV C4 C5 double 1.483 0.020
MBV C2 C3 double 1.490 0.020
MBV C1A C2 single 1.506 0.020
MBV C2A C3 single 1.510 0.020
MBV H1A1 C1A single 1.059 0.020
MBV H1A2 C1A single 1.059 0.020
MBV H1A3 C1A single 1.059 0.020
MBV C3A C2A single 1.513 0.020
MBV H2A1 C2A single 1.092 0.020
MBV H2A2 C2A single 1.092 0.020
MBV C5 C6 single 1.483 0.020
MBV HC5 C5 single 1.077 0.020
MBV C6 N2 double 1.350 0.020
MBV C6 C7 single 1.490 0.020
MBV N2 C9 single 1.350 0.020
MBV C8 C9 single 1.490 0.020
MBV C9 C10 double 1.483 0.020
MBV C7 C8 double 1.490 0.020
MBV C1B C7 single 1.510 0.020
MBV C6B C8 single 1.506 0.020
MBV C2B C1B single 1.524 0.020
MBV H1B1 C1B single 1.092 0.020
MBV H1B2 C1B single 1.092 0.020
MBV H6B1 C6B single 1.059 0.020
MBV H6B2 C6B single 1.059 0.020
MBV H6B3 C6B single 1.059 0.020
MBV C10 C11 single 1.483 0.020
MBV H10 C10 single 1.077 0.020
MBV C11 N3 single 1.340 0.020
MBV C11 C12 double 1.490 0.020
MBV N3 C14 single 1.340 0.020
MBV HN3 N3 single 1.040 0.020
MBV C14 C13 double 1.490 0.020
MBV C15 C14 single 1.483 0.020
MBV C12 C13 single 1.490 0.020
MBV C6C C12 single 1.506 0.020
MBV C13 C1C single 1.510 0.020
MBV H6C1 C6C single 1.059 0.020
MBV H6C2 C6C single 1.059 0.020
MBV H6C3 C6C single 1.059 0.020
MBV C1C C2C single 1.524 0.020
MBV H1C1 C1C single 1.092 0.020
MBV H1C2 C1C single 1.092 0.020
MBV C16 C15 double 1.483 0.020
MBV H15 C15 single 1.077 0.020
MBV C16 N4 single 1.340 0.020
MBV C17 C16 single 1.490 0.020
MBV N4 C19 single 1.340 0.020
MBV HN4 N4 single 1.040 0.020
MBV C19 C18 single 1.490 0.020
MBV O20 C19 double 1.285 0.020
MBV C18 C17 double 1.490 0.020
MBV C2D C17 single 1.510 0.020
MBV C1D C18 single 1.506 0.020
MBV C3D C2D single 1.513 0.020
MBV H2D1 C2D single 1.092 0.020
MBV H2D2 C2D single 1.092 0.020
MBV H1D1 C1D single 1.059 0.020
MBV H1D2 C1D single 1.059 0.020
MBV H1D3 C1D single 1.059 0.020
MBV H3A1 C3A single 1.059 0.020
MBV H3A2 C3A single 1.059 0.020
MBV H3A3 C3A single 1.059 0.020
MBV C3B C2B single 1.510 0.020
MBV H2B1 C2B single 1.092 0.020
MBV H2B2 C2B single 1.092 0.020
MBV O4B C3B deloc 1.250 0.020
MBV O5B C3B deloc 1.250 0.020
MBV C2C C3C single 1.510 0.020
MBV H2C1 C2C single 1.092 0.020
MBV H2C2 C2C single 1.092 0.020
MBV O4C C3C deloc 1.250 0.020
MBV C3C O5C deloc 1.250 0.020
MBV H3D1 C3D single 1.059 0.020
MBV H3D2 C3D single 1.059 0.020
MBV H3D3 C3D 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
MBV O5C C3C O4C 123.000 3.000
MBV O5C C3C C2C 118.500 3.000
MBV O4C C3C C2C 118.500 3.000
MBV C3C C2C H2C1 109.470 3.000
MBV C3C C2C H2C2 109.470 3.000
MBV C3C C2C C1C 109.470 3.000
MBV H2C1 C2C H2C2 107.900 3.000
MBV H2C1 C2C C1C 109.470 3.000
MBV H2C2 C2C C1C 109.470 3.000
MBV C2C C1C H1C1 109.470 3.000
MBV C2C C1C H1C2 109.470 3.000
MBV C2C C1C C13 109.470 3.000
MBV H1C1 C1C H1C2 107.900 3.000
MBV H1C1 C1C C13 109.470 3.000
MBV H1C2 C1C C13 109.470 3.000
MBV C1C C13 C14 126.000 3.000
MBV C1C C13 C12 126.000 3.000
MBV C14 C13 C12 108.000 3.000
MBV C13 C14 C15 117.000 3.000
MBV C13 C14 N3 108.000 3.000
MBV C15 C14 N3 108.000 3.000
MBV C14 C15 H15 120.000 3.000
MBV C14 C15 C16 120.000 3.000
MBV H15 C15 C16 120.000 3.000
MBV C15 C16 C17 117.000 3.000
MBV C15 C16 N4 108.000 3.000
MBV C17 C16 N4 108.000 3.000
MBV C16 C17 C2D 126.000 3.000
MBV C16 C17 C18 108.000 3.000
MBV C2D C17 C18 126.000 3.000
MBV C17 C2D H2D1 109.470 3.000
MBV C17 C2D H2D2 109.470 3.000
MBV C17 C2D C3D 109.470 3.000
MBV H2D1 C2D H2D2 107.900 3.000
MBV H2D1 C2D C3D 109.470 3.000
MBV H2D2 C2D C3D 109.470 3.000
MBV C2D C3D H3D3 109.470 3.000
MBV C2D C3D H3D2 109.470 3.000
MBV C2D C3D H3D1 109.470 3.000
MBV H3D3 C3D H3D2 109.470 3.000
MBV H3D3 C3D H3D1 109.470 3.000
MBV H3D2 C3D H3D1 109.470 3.000
MBV C17 C18 C1D 126.000 3.000
MBV C17 C18 C19 108.000 3.000
MBV C1D C18 C19 126.000 3.000
MBV C18 C1D H1D3 109.470 3.000
MBV C18 C1D H1D2 109.470 3.000
MBV C18 C1D H1D1 109.470 3.000
MBV H1D3 C1D H1D2 109.470 3.000
MBV H1D3 C1D H1D1 109.470 3.000
MBV H1D2 C1D H1D1 109.470 3.000
MBV C18 C19 O20 108.000 3.000
MBV C18 C19 N4 108.000 3.000
MBV O20 C19 N4 108.000 3.000
MBV C19 N4 HN4 126.000 3.000
MBV C19 N4 C16 108.000 3.000
MBV HN4 N4 C16 126.000 3.000
MBV C14 N3 HN3 126.000 3.000
MBV C14 N3 C11 108.000 3.000
MBV HN3 N3 C11 126.000 3.000
MBV C13 C12 C6C 126.000 3.000
MBV C13 C12 C11 108.000 3.000
MBV C6C C12 C11 126.000 3.000
MBV C12 C6C H6C3 109.470 3.000
MBV C12 C6C H6C2 109.470 3.000
MBV C12 C6C H6C1 109.470 3.000
MBV H6C3 C6C H6C2 109.470 3.000
MBV H6C3 C6C H6C1 109.470 3.000
MBV H6C2 C6C H6C1 109.470 3.000
MBV C12 C11 C10 117.000 3.000
MBV C12 C11 N3 108.000 3.000
MBV C10 C11 N3 108.000 3.000
MBV C11 C10 H10 120.000 3.000
MBV C11 C10 C9 120.000 3.000
MBV H10 C10 C9 120.000 3.000
MBV C10 C9 N2 108.000 3.000
MBV C10 C9 C8 117.000 3.000
MBV N2 C9 C8 108.000 3.000
MBV C9 N2 C6 108.000 3.000
MBV C9 C8 C6B 126.000 3.000
MBV C9 C8 C7 108.000 3.000
MBV C6B C8 C7 126.000 3.000
MBV C8 C6B H6B3 109.470 3.000
MBV C8 C6B H6B2 109.470 3.000
MBV C8 C6B H6B1 109.470 3.000
MBV H6B3 C6B H6B2 109.470 3.000
MBV H6B3 C6B H6B1 109.470 3.000
MBV H6B2 C6B H6B1 109.470 3.000
MBV C8 C7 C1B 126.000 3.000
MBV C8 C7 C6 108.000 3.000
MBV C1B C7 C6 126.000 3.000
MBV C7 C1B H1B1 109.470 3.000
MBV C7 C1B H1B2 109.470 3.000
MBV C7 C1B C2B 109.470 3.000
MBV H1B1 C1B H1B2 107.900 3.000
MBV H1B1 C1B C2B 109.470 3.000
MBV H1B2 C1B C2B 109.470 3.000
MBV C1B C2B H2B1 109.470 3.000
MBV C1B C2B H2B2 109.470 3.000
MBV C1B C2B C3B 109.470 3.000
MBV H2B1 C2B H2B2 107.900 3.000
MBV H2B1 C2B C3B 109.470 3.000
MBV H2B2 C2B C3B 109.470 3.000
MBV C2B C3B O5B 118.500 3.000
MBV C2B C3B O4B 118.500 3.000
MBV O5B C3B O4B 123.000 3.000
MBV C7 C6 C5 117.000 3.000
MBV C7 C6 N2 108.000 3.000
MBV C5 C6 N2 108.000 3.000
MBV C6 C5 HC5 120.000 3.000
MBV C6 C5 C4 120.000 3.000
MBV HC5 C5 C4 120.000 3.000
MBV C5 C4 N1 108.000 3.000
MBV C5 C4 C3 117.000 3.000
MBV N1 C4 C3 108.000 3.000
MBV C4 N1 HN1 126.000 3.000
MBV C4 N1 C1 108.000 3.000
MBV HN1 N1 C1 126.000 3.000
MBV C4 C3 C2A 126.000 3.000
MBV C4 C3 C2 108.000 3.000
MBV C2A C3 C2 126.000 3.000
MBV C3 C2A H2A1 109.470 3.000
MBV C3 C2A H2A2 109.470 3.000
MBV C3 C2A C3A 109.470 3.000
MBV H2A1 C2A H2A2 107.900 3.000
MBV H2A1 C2A C3A 109.470 3.000
MBV H2A2 C2A C3A 109.470 3.000
MBV C2A C3A H3A3 109.470 3.000
MBV C2A C3A H3A2 109.470 3.000
MBV C2A C3A H3A1 109.470 3.000
MBV H3A3 C3A H3A2 109.470 3.000
MBV H3A3 C3A H3A1 109.470 3.000
MBV H3A2 C3A H3A1 109.470 3.000
MBV C3 C2 C1A 126.000 3.000
MBV C3 C2 C1 108.000 3.000
MBV C1A C2 C1 126.000 3.000
MBV C2 C1A H1A3 109.470 3.000
MBV C2 C1A H1A2 109.470 3.000
MBV C2 C1A H1A1 109.470 3.000
MBV H1A3 C1A H1A2 109.470 3.000
MBV H1A3 C1A H1A1 109.470 3.000
MBV H1A2 C1A H1A1 109.470 3.000
MBV C2 C1 O1 108.000 3.000
MBV C2 C1 N1 108.000 3.000
MBV O1 C1 N1 108.000 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
MBV var_1 O5C C3C C2C C1C -63.871 20.000 3
MBV var_2 C3C C2C C1C C13 -136.460 20.000 3
MBV var_3 C2C C1C C13 C12 -121.503 20.000 2
MBV CONST_1 C1C C13 C14 N3 180.000 0.000 0
MBV var_4 C13 C14 C15 C16 101.359 20.000 1
MBV CONST_2 C14 C15 C16 C17 -128.316 0.000 0
MBV CONST_3 C15 C16 N4 C19 180.000 0.000 0
MBV CONST_4 C15 C16 C17 C18 180.000 0.000 0
MBV var_5 C16 C17 C2D C3D -107.304 20.000 2
MBV var_6 C17 C2D C3D H3D1 179.972 20.000 3
MBV CONST_5 C16 C17 C18 C19 0.000 0.000 0
MBV var_7 C17 C18 C1D H1D1 0.072 20.000 1
MBV CONST_6 C17 C18 C19 N4 0.000 0.000 0
MBV CONST_7 C18 C19 N4 C16 0.000 0.000 0
MBV CONST_8 C13 C14 N3 C11 0.000 0.000 0
MBV CONST_9 C1C C13 C12 C11 180.000 0.000 0
MBV var_8 C13 C12 C6C H6C1 0.082 20.000 1
MBV CONST_10 C13 C12 C11 C10 180.000 0.000 0
MBV CONST_11 C12 C11 N3 C14 0.000 0.000 0
MBV var_9 C12 C11 C10 C9 -171.695 20.000 1
MBV CONST_12 C11 C10 C9 C8 -177.104 0.000 0
MBV CONST_13 C10 C9 N2 C6 180.000 0.000 0
MBV CONST_14 C10 C9 C8 C7 180.000 0.000 0
MBV var_10 C9 C8 C6B H6B1 179.968 20.000 1
MBV CONST_15 C9 C8 C7 C6 0.000 0.000 0
MBV var_11 C8 C7 C1B C2B 124.307 20.000 2
MBV var_12 C7 C1B C2B C3B 120.108 20.000 3
MBV var_13 C1B C2B C3B O4B 23.187 20.000 3
MBV CONST_16 C8 C7 C6 C5 180.000 0.000 0
MBV CONST_17 C7 C6 N2 C9 0.000 0.000 0
MBV var_14 C7 C6 C5 C4 179.411 20.000 1
MBV CONST_18 C6 C5 C4 C3 -173.662 0.000 0
MBV CONST_19 C5 C4 N1 C1 180.000 0.000 0
MBV CONST_20 C5 C4 C3 C2 180.000 0.000 0
MBV var_15 C4 C3 C2A C3A -87.356 20.000 2
MBV var_16 C3 C2A C3A H3A1 -179.969 20.000 3
MBV CONST_21 C4 C3 C2 C1 0.000 0.000 0
MBV var_17 C3 C2 C1A H1A1 4.988 20.000 1
MBV CONST_22 C3 C2 C1 O1 180.000 0.000 0
MBV CONST_23 C2 C1 N1 C4 0.000 0.000 0
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
MBV plan-1 C1 0.020
MBV plan-1 O1 0.020
MBV plan-1 N1 0.020
MBV plan-1 C2 0.020
MBV plan-1 C4 0.020
MBV plan-1 C3 0.020
MBV plan-1 HN1 0.020
MBV plan-1 C5 0.020
MBV plan-1 C1A 0.020
MBV plan-1 C2A 0.020
MBV plan-1 C6 0.020
MBV plan-1 HC5 0.020
MBV plan-2 C6 0.020
MBV plan-2 C5 0.020
MBV plan-2 N2 0.020
MBV plan-2 C7 0.020
MBV plan-2 C9 0.020
MBV plan-2 C8 0.020
MBV plan-2 C10 0.020
MBV plan-2 C1B 0.020
MBV plan-2 C6B 0.020
MBV plan-2 C11 0.020
MBV plan-2 H10 0.020
MBV plan-2 HC5 0.020
MBV plan-3 C11 0.020
MBV plan-3 C10 0.020
MBV plan-3 N3 0.020
MBV plan-3 C12 0.020
MBV plan-3 C14 0.020
MBV plan-3 C13 0.020
MBV plan-3 HN3 0.020
MBV plan-3 C15 0.020
MBV plan-3 C6C 0.020
MBV plan-3 C1C 0.020
MBV plan-3 H10 0.020
MBV plan-3 H15 0.020
MBV plan-4 C15 0.020
MBV plan-4 C14 0.020
MBV plan-4 C16 0.020
MBV plan-4 H15 0.020
MBV plan-4 N4 0.020
MBV plan-4 C17 0.020
MBV plan-4 C19 0.020
MBV plan-4 C18 0.020
MBV plan-4 HN4 0.020
MBV plan-4 O20 0.020
MBV plan-4 C2D 0.020
MBV plan-4 C1D 0.020
MBV plan-5 C3B 0.020
MBV plan-5 C2B 0.020
MBV plan-5 O4B 0.020
MBV plan-5 O5B 0.020
MBV plan-6 C3C 0.020
MBV plan-6 C2C 0.020
MBV plan-6 O4C 0.020
MBV plan-6 O5C 0.020
# ------------------------------------------------------
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