#
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
DMM      DMM '3"-DESAMINO-3"-(2-METHOXY-4-MORPHOLI' non-polymer        83  46 .
#
data_comp_DMM
#
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
 DMM           O19    O    O         0.000     -0.009   -0.005    0.003
 DMM           C19    C    CR6       0.000      0.862    0.888    0.001
 DMM           C20    C    CR66      0.000      2.288    0.496    0.000
 DMM           C18    C    CR66      0.000      0.489    2.332    0.004
 DMM           C17    C    CR6       0.000     -0.944    2.730    0.003
 DMM           O17    O    OH1       0.000     -1.913    1.762   -0.006
 DMM           HO17   H    H         0.000     -2.140    1.538   -0.919
 DMM           C16    C    CR6       0.000     -1.303    4.181   -0.001
 DMM           C15    C    CH2       0.000     -2.776    4.526    0.002
 DMM           H151   H    H         0.000     -3.306    3.874    0.699
 DMM           H152   H    H         0.000     -3.187    4.396   -1.001
 DMM           C12    C    CT        0.000     -2.938    5.959    0.430
 DMM           O12    O    OH1       0.000     -4.282    6.403    0.219
 DMM           HO12   H    H         0.000     -4.886    5.864    0.749
 DMM           C13    C    C         0.000     -2.602    6.093    1.896
 DMM           C14    C    CH2       0.000     -3.114    7.259    2.707
 DMM           H141   H    H         0.000     -4.194    7.166    2.839
 DMM           H142   H    H         0.000     -2.891    8.193    2.186
 DMM           O14    O    OH1       0.000     -2.472    7.261    3.991
 DMM           HO14   H    H         0.000     -2.797    8.006    4.514
 DMM           O13    O    O         0.000     -1.857    5.299    2.472
 DMM           C11    C    CH2       0.000     -2.003    6.846   -0.399
 DMM           H111   H    H         0.000     -2.311    7.885   -0.266
 DMM           H112   H    H         0.000     -2.110    6.568   -1.450
 DMM           C10    C    CH1       0.000     -0.558    6.688    0.021
 DMM           H10    H    H         0.000     -0.433    7.077    1.042
 DMM           C9     C    CR6       0.000     -0.241    5.243    0.005
 DMM           C8     C    CR6       0.000      1.184    4.833    0.021
 DMM           O8     O    OH1       0.000      2.198    5.737    0.009
 DMM           HO8    H    H         0.000      2.499    5.870   -0.900
 DMM           C7     C    CR66      0.000      1.541    3.388    0.009
 DMM           C6     C    CR6       0.000      2.972    2.971    0.009
 DMM           O6     O    O         0.000      3.921    3.775    0.021
 DMM           C5     C    CR66      0.000      3.350    1.536    0.005
 DMM           C4     C    CR6       0.000      4.784    1.092    0.000
 DMM           O4     O    O2        0.000      5.785    1.986    0.000
 DMM           C21    C    CH3       0.000      7.140    1.610   -0.131
 DMM           H213   H    H         0.000      7.403    0.967    0.667
 DMM           H212   H    H         0.000      7.276    1.108   -1.052
 DMM           H211   H    H         0.000      7.748    2.476   -0.105
 DMM           C3     C    CR16      0.000      5.045   -0.262   -0.002
 DMM           H3     H    H         0.000      6.069   -0.615   -0.005
 DMM           C2     C    CR16      0.000      4.006   -1.168    0.000
 DMM           H2     H    H         0.000      4.256   -2.222    0.000
 DMM           C1     C    CR16      0.000      2.673   -0.827    0.003
 DMM           H1     H    H         0.000      1.919   -1.605    0.007
 DMM           O10    O    O2        0.000      0.298    7.392   -0.856
 DMM           C1*    C    CH1       0.000      1.020    8.467   -0.256
 DMM           H1*    H    H         0.000      1.555    8.070    0.618
 DMM           C2*    C    CH2       0.000      2.051    9.040   -1.220
 DMM           H2*1   H    H         0.000      2.609    8.196   -1.629
 DMM           H2*2   H    H         0.000      2.723    9.669   -0.631
 DMM           C3*    C    CH1       0.000      1.460    9.852   -2.350
 DMM           H3*    H    H         0.000      0.875    9.199   -3.013
 DMM           C4*    C    CH1       0.000      0.560   10.901   -1.735
 DMM           H4*    H    H         0.000      0.023   11.421   -2.541
 DMM           C5*    C    CH1       0.000     -0.447   10.274   -0.813
 DMM           H5*    H    H         0.000     -1.106    9.621   -1.403
 DMM           C6*    C    CH3       0.000     -1.301   11.339   -0.127
 DMM           H6*3   H    H         0.000     -0.679   11.977    0.445
 DMM           H6*2   H    H         0.000     -1.812   11.909   -0.860
 DMM           H6*1   H    H         0.000     -2.007   10.871    0.509
 DMM           O5*    O    O2        0.000      0.176    9.503    0.183
 DMM           O4*    O    OH1       0.000      1.324   11.860   -1.001
 DMM           HO4*   H    H         0.000      0.730   12.514   -0.610
 DMM           N3*    N    NT        0.000      2.500   10.525   -3.110
 DMM           C33    C    CH2       0.000      3.027    9.581   -4.121
 DMM           H331   H    H         0.000      2.264    9.387   -4.878
 DMM           H332   H    H         0.000      3.305    8.641   -3.638
 DMM           C23    C    CH1       0.000      4.257   10.200   -4.781
 DMM           H23    H    H         0.000      4.989   10.487   -4.013
 DMM           O23    O    O2        0.000      4.838    9.247   -5.675
 DMM           C73    C    CH3       0.000      6.064    9.701   -6.248
 DMM           H733   H    H         0.000      5.892   10.592   -6.794
 DMM           H732   H    H         0.000      6.766    9.889   -5.477
 DMM           H731   H    H         0.000      6.447    8.957   -6.898
 DMM           O16    O    O2        0.000      3.856   11.336   -5.509
 DMM           C63    C    CH2       0.000      3.387   12.308   -4.627
 DMM           H631   H    H         0.000      3.095   13.193   -5.196
 DMM           H632   H    H         0.000      4.187   12.571   -3.931
 DMM           C53    C    CH2       0.000      2.179   11.779   -3.844
 DMM           H532   H    H         0.000      1.370   11.591   -4.553
 DMM           H531   H    H         0.000      1.869   12.549   -3.135
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
 DMM      O19    n/a    C19    START
 DMM      C19    O19    C18    .
 DMM      C20    C19    .      .
 DMM      C18    C19    C17    .
 DMM      C17    C18    C16    .
 DMM      O17    C17    HO17   .
 DMM      HO17   O17    .      .
 DMM      C16    C17    C15    .
 DMM      C15    C16    C12    .
 DMM      H151   C15    .      .
 DMM      H152   C15    .      .
 DMM      C12    C15    C11    .
 DMM      O12    C12    HO12   .
 DMM      HO12   O12    .      .
 DMM      C13    C12    O13    .
 DMM      C14    C13    O14    .
 DMM      H141   C14    .      .
 DMM      H142   C14    .      .
 DMM      O14    C14    HO14   .
 DMM      HO14   O14    .      .
 DMM      O13    C13    .      .
 DMM      C11    C12    C10    .
 DMM      H111   C11    .      .
 DMM      H112   C11    .      .
 DMM      C10    C11    O10    .
 DMM      H10    C10    .      .
 DMM      C9     C10    C8     .
 DMM      C8     C9     C7     .
 DMM      O8     C8     HO8    .
 DMM      HO8    O8     .      .
 DMM      C7     C8     C6     .
 DMM      C6     C7     C5     .
 DMM      O6     C6     .      .
 DMM      C5     C6     C4     .
 DMM      C4     C5     C3     .
 DMM      O4     C4     C21    .
 DMM      C21    O4     H211   .
 DMM      H213   C21    .      .
 DMM      H212   C21    .      .
 DMM      H211   C21    .      .
 DMM      C3     C4     C2     .
 DMM      H3     C3     .      .
 DMM      C2     C3     C1     .
 DMM      H2     C2     .      .
 DMM      C1     C2     H1     .
 DMM      H1     C1     .      .
 DMM      O10    C10    C1*    .
 DMM      C1*    O10    C2*    .
 DMM      H1*    C1*    .      .
 DMM      C2*    C1*    C3*    .
 DMM      H2*1   C2*    .      .
 DMM      H2*2   C2*    .      .
 DMM      C3*    C2*    N3*    .
 DMM      H3*    C3*    .      .
 DMM      C4*    C3*    O4*    .
 DMM      H4*    C4*    .      .
 DMM      C5*    C4*    O5*    .
 DMM      H5*    C5*    .      .
 DMM      C6*    C5*    H6*1   .
 DMM      H6*3   C6*    .      .
 DMM      H6*2   C6*    .      .
 DMM      H6*1   C6*    .      .
 DMM      O5*    C5*    .      .
 DMM      O4*    C4*    HO4*   .
 DMM      HO4*   O4*    .      .
 DMM      N3*    C3*    C33    .
 DMM      C33    N3*    C23    .
 DMM      H331   C33    .      .
 DMM      H332   C33    .      .
 DMM      C23    C33    O16    .
 DMM      H23    C23    .      .
 DMM      O23    C23    C73    .
 DMM      C73    O23    H731   .
 DMM      H733   C73    .      .
 DMM      H732   C73    .      .
 DMM      H731   C73    .      .
 DMM      O16    C23    C63    .
 DMM      C63    O16    C53    .
 DMM      H631   C63    .      .
 DMM      H632   C63    .      .
 DMM      C53    C63    H531   .
 DMM      H532   C53    .      .
 DMM      H531   C53    .      END
 DMM      C1     C20    .    ADD
 DMM      C5     C20    .    ADD
 DMM      C7     C18    .    ADD
 DMM      C9     C16    .    ADD
 DMM      C1*    O5*    .    ADD
 DMM      N3*    C53    .    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
 DMM      C1     C2        double      1.390    0.020
 DMM      C1     C20       single      1.390    0.020
 DMM      H1     C1        single      1.083    0.020
 DMM      C2     C3        single      1.390    0.020
 DMM      H2     C2        single      1.083    0.020
 DMM      C3     C4        double      1.390    0.020
 DMM      H3     C3        single      1.083    0.020
 DMM      O4     C4        single      1.370    0.020
 DMM      C4     C5        single      1.490    0.020
 DMM      C21    O4        single      1.426    0.020
 DMM      C5     C6        single      1.490    0.020
 DMM      C5     C20       double      1.490    0.020
 DMM      O6     C6        double      1.250    0.020
 DMM      C6     C7        single      1.490    0.020
 DMM      C7     C8        double      1.490    0.020
 DMM      C7     C18       single      1.490    0.020
 DMM      O8     C8        single      1.362    0.020
 DMM      C8     C9        single      1.487    0.020
 DMM      HO8    O8        single      0.967    0.020
 DMM      C9     C10       single      1.480    0.020
 DMM      C9     C16       double      1.487    0.020
 DMM      O10    C10       single      1.426    0.020
 DMM      C10    C11       single      1.524    0.020
 DMM      H10    C10       single      1.099    0.020
 DMM      C1*    O10       single      1.426    0.020
 DMM      C11    C12       single      1.524    0.020
 DMM      H111   C11       single      1.092    0.020
 DMM      H112   C11       single      1.092    0.020
 DMM      O12    C12       single      1.432    0.020
 DMM      C13    C12       single      1.507    0.020
 DMM      C12    C15       single      1.524    0.020
 DMM      HO12   O12       single      0.967    0.020
 DMM      O13    C13       double      1.220    0.020
 DMM      C14    C13       single      1.510    0.020
 DMM      O14    C14       single      1.432    0.020
 DMM      H141   C14       single      1.092    0.020
 DMM      H142   C14       single      1.092    0.020
 DMM      HO14   O14       single      0.967    0.020
 DMM      C15    C16       single      1.511    0.020
 DMM      H151   C15       single      1.092    0.020
 DMM      H152   C15       single      1.092    0.020
 DMM      C16    C17       single      1.487    0.020
 DMM      O17    C17       single      1.362    0.020
 DMM      C17    C18       double      1.490    0.020
 DMM      HO17   O17       single      0.967    0.020
 DMM      C18    C19       single      1.490    0.020
 DMM      C19    O19       double      1.250    0.020
 DMM      C20    C19       single      1.490    0.020
 DMM      H211   C21       single      1.059    0.020
 DMM      H212   C21       single      1.059    0.020
 DMM      H213   C21       single      1.059    0.020
 DMM      C2*    C1*       single      1.524    0.020
 DMM      C1*    O5*       single      1.426    0.020
 DMM      H1*    C1*       single      1.099    0.020
 DMM      C3*    C2*       single      1.524    0.020
 DMM      H2*1   C2*       single      1.092    0.020
 DMM      H2*2   C2*       single      1.092    0.020
 DMM      C4*    C3*       single      1.524    0.020
 DMM      N3*    C3*       single      1.469    0.020
 DMM      H3*    C3*       single      1.099    0.020
 DMM      O4*    C4*       single      1.432    0.020
 DMM      C5*    C4*       single      1.524    0.020
 DMM      H4*    C4*       single      1.099    0.020
 DMM      HO4*   O4*       single      0.967    0.020
 DMM      O5*    C5*       single      1.426    0.020
 DMM      C6*    C5*       single      1.524    0.020
 DMM      H5*    C5*       single      1.099    0.020
 DMM      H6*1   C6*       single      1.059    0.020
 DMM      H6*2   C6*       single      1.059    0.020
 DMM      H6*3   C6*       single      1.059    0.020
 DMM      C33    N3*       single      1.469    0.020
 DMM      N3*    C53       single      1.469    0.020
 DMM      C23    C33       single      1.524    0.020
 DMM      H331   C33       single      1.092    0.020
 DMM      H332   C33       single      1.092    0.020
 DMM      O16    C23       single      1.426    0.020
 DMM      O23    C23       single      1.426    0.020
 DMM      C63    O16       single      1.426    0.020
 DMM      C53    C63       single      1.524    0.020
 DMM      H631   C63       single      1.092    0.020
 DMM      H632   C63       single      1.092    0.020
 DMM      H531   C53       single      1.092    0.020
 DMM      H532   C53       single      1.092    0.020
 DMM      C73    O23       single      1.426    0.020
 DMM      H23    C23       single      1.099    0.020
 DMM      H731   C73       single      1.059    0.020
 DMM      H732   C73       single      1.059    0.020
 DMM      H733   C73       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
 DMM      O19    C19    C20     120.000    3.000
 DMM      O19    C19    C18     120.000    3.000
 DMM      C20    C19    C18     120.000    3.000
 DMM      C19    C20    C1      120.000    3.000
 DMM      C19    C20    C5      120.000    3.000
 DMM      C1     C20    C5      120.000    3.000
 DMM      C19    C18    C17     120.000    3.000
 DMM      C19    C18    C7      120.000    3.000
 DMM      C17    C18    C7      120.000    3.000
 DMM      C18    C17    O17     120.000    3.000
 DMM      C18    C17    C16     120.000    3.000
 DMM      O17    C17    C16     120.000    3.000
 DMM      C17    O17    HO17    109.470    3.000
 DMM      C17    C16    C15     120.000    3.000
 DMM      C17    C16    C9      120.000    3.000
 DMM      C15    C16    C9      120.000    3.000
 DMM      C16    C15    H151    109.470    3.000
 DMM      C16    C15    H152    109.470    3.000
 DMM      C16    C15    C12     109.470    3.000
 DMM      H151   C15    H152    107.900    3.000
 DMM      H151   C15    C12     109.470    3.000
 DMM      H152   C15    C12     109.470    3.000
 DMM      C15    C12    O12     109.470    3.000
 DMM      C15    C12    C13     109.470    3.000
 DMM      C15    C12    C11     111.000    3.000
 DMM      O12    C12    C13     109.470    3.000
 DMM      O12    C12    C11     109.470    3.000
 DMM      C13    C12    C11     109.470    3.000
 DMM      C12    O12    HO12    109.470    3.000
 DMM      C12    C13    C14     120.000    3.000
 DMM      C12    C13    O13     120.500    3.000
 DMM      C14    C13    O13     120.500    3.000
 DMM      C13    C14    H141    109.470    3.000
 DMM      C13    C14    H142    109.470    3.000
 DMM      C13    C14    O14     109.500    3.000
 DMM      H141   C14    H142    107.900    3.000
 DMM      H141   C14    O14     109.470    3.000
 DMM      H142   C14    O14     109.470    3.000
 DMM      C14    O14    HO14    109.470    3.000
 DMM      C12    C11    H111    109.470    3.000
 DMM      C12    C11    H112    109.470    3.000
 DMM      C12    C11    C10     111.000    3.000
 DMM      H111   C11    H112    107.900    3.000
 DMM      H111   C11    C10     109.470    3.000
 DMM      H112   C11    C10     109.470    3.000
 DMM      C11    C10    H10     108.340    3.000
 DMM      C11    C10    C9      109.470    3.000
 DMM      C11    C10    O10     109.470    3.000
 DMM      H10    C10    C9      109.470    3.000
 DMM      H10    C10    O10     109.470    3.000
 DMM      C9     C10    O10     109.470    3.000
 DMM      C10    C9     C8      120.000    3.000
 DMM      C10    C9     C16     120.000    3.000
 DMM      C8     C9     C16     120.000    3.000
 DMM      C9     C8     O8      120.000    3.000
 DMM      C9     C8     C7      120.000    3.000
 DMM      O8     C8     C7      120.000    3.000
 DMM      C8     O8     HO8     109.470    3.000
 DMM      C8     C7     C6      120.000    3.000
 DMM      C8     C7     C18     120.000    3.000
 DMM      C6     C7     C18     120.000    3.000
 DMM      C7     C6     O6      120.000    3.000
 DMM      C7     C6     C5      120.000    3.000
 DMM      O6     C6     C5      120.000    3.000
 DMM      C6     C5     C4      120.000    3.000
 DMM      C6     C5     C20     120.000    3.000
 DMM      C4     C5     C20     120.000    3.000
 DMM      C5     C4     O4      120.000    3.000
 DMM      C5     C4     C3      120.000    3.000
 DMM      O4     C4     C3      120.000    3.000
 DMM      C4     O4     C21     120.000    3.000
 DMM      O4     C21    H213    109.470    3.000
 DMM      O4     C21    H212    109.470    3.000
 DMM      O4     C21    H211    109.470    3.000
 DMM      H213   C21    H212    109.470    3.000
 DMM      H213   C21    H211    109.470    3.000
 DMM      H212   C21    H211    109.470    3.000
 DMM      C4     C3     H3      120.000    3.000
 DMM      C4     C3     C2      120.000    3.000
 DMM      H3     C3     C2      120.000    3.000
 DMM      C3     C2     H2      120.000    3.000
 DMM      C3     C2     C1      120.000    3.000
 DMM      H2     C2     C1      120.000    3.000
 DMM      C2     C1     H1      120.000    3.000
 DMM      C2     C1     C20     120.000    3.000
 DMM      H1     C1     C20     120.000    3.000
 DMM      C10    O10    C1*     111.800    3.000
 DMM      O10    C1*    H1*     109.470    3.000
 DMM      O10    C1*    C2*     109.470    3.000
 DMM      O10    C1*    O5*     109.470    3.000
 DMM      H1*    C1*    C2*     108.340    3.000
 DMM      H1*    C1*    O5*     109.470    3.000
 DMM      C2*    C1*    O5*     109.470    3.000
 DMM      C1*    C2*    H2*1    109.470    3.000
 DMM      C1*    C2*    H2*2    109.470    3.000
 DMM      C1*    C2*    C3*     111.000    3.000
 DMM      H2*1   C2*    H2*2    107.900    3.000
 DMM      H2*1   C2*    C3*     109.470    3.000
 DMM      H2*2   C2*    C3*     109.470    3.000
 DMM      C2*    C3*    H3*     108.340    3.000
 DMM      C2*    C3*    C4*     111.000    3.000
 DMM      C2*    C3*    N3*     109.500    3.000
 DMM      H3*    C3*    C4*     108.340    3.000
 DMM      H3*    C3*    N3*     109.500    3.000
 DMM      C4*    C3*    N3*     109.500    3.000
 DMM      C3*    C4*    H4*     108.340    3.000
 DMM      C3*    C4*    C5*     111.000    3.000
 DMM      C3*    C4*    O4*     109.470    3.000
 DMM      H4*    C4*    C5*     108.340    3.000
 DMM      H4*    C4*    O4*     109.470    3.000
 DMM      C5*    C4*    O4*     109.470    3.000
 DMM      C4*    C5*    H5*     108.340    3.000
 DMM      C4*    C5*    C6*     111.000    3.000
 DMM      C4*    C5*    O5*     109.470    3.000
 DMM      H5*    C5*    C6*     108.340    3.000
 DMM      H5*    C5*    O5*     109.470    3.000
 DMM      C6*    C5*    O5*     109.470    3.000
 DMM      C5*    C6*    H6*3    109.470    3.000
 DMM      C5*    C6*    H6*2    109.470    3.000
 DMM      C5*    C6*    H6*1    109.470    3.000
 DMM      H6*3   C6*    H6*2    109.470    3.000
 DMM      H6*3   C6*    H6*1    109.470    3.000
 DMM      H6*2   C6*    H6*1    109.470    3.000
 DMM      C5*    O5*    C1*     111.800    3.000
 DMM      C4*    O4*    HO4*    109.470    3.000
 DMM      C3*    N3*    C33     109.470    3.000
 DMM      C3*    N3*    C53     109.470    3.000
 DMM      C33    N3*    C53     109.470    3.000
 DMM      N3*    C33    H331    109.470    3.000
 DMM      N3*    C33    H332    109.470    3.000
 DMM      N3*    C33    C23     109.500    3.000
 DMM      H331   C33    H332    107.900    3.000
 DMM      H331   C33    C23     109.470    3.000
 DMM      H332   C33    C23     109.470    3.000
 DMM      C33    C23    H23     108.340    3.000
 DMM      C33    C23    O23     109.470    3.000
 DMM      C33    C23    O16     109.470    3.000
 DMM      H23    C23    O23     109.470    3.000
 DMM      H23    C23    O16     109.470    3.000
 DMM      O23    C23    O16     109.470    3.000
 DMM      C23    O23    C73     111.800    3.000
 DMM      O23    C73    H733    109.470    3.000
 DMM      O23    C73    H732    109.470    3.000
 DMM      O23    C73    H731    109.470    3.000
 DMM      H733   C73    H732    109.470    3.000
 DMM      H733   C73    H731    109.470    3.000
 DMM      H732   C73    H731    109.470    3.000
 DMM      C23    O16    C63     111.800    3.000
 DMM      O16    C63    H631    109.470    3.000
 DMM      O16    C63    H632    109.470    3.000
 DMM      O16    C63    C53     109.470    3.000
 DMM      H631   C63    H632    107.900    3.000
 DMM      H631   C63    C53     109.470    3.000
 DMM      H632   C63    C53     109.470    3.000
 DMM      C63    C53    H532    109.470    3.000
 DMM      C63    C53    H531    109.470    3.000
 DMM      C63    C53    N3*     109.470    3.000
 DMM      H532   C53    H531    107.900    3.000
 DMM      H532   C53    N3*     109.470    3.000
 DMM      H531   C53    N3*     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
 DMM      CONST_1  O19    C19    C20    C1         0.000    0.000   0
 DMM      CONST_2  O19    C19    C18    C17        0.000    0.000   0
 DMM      CONST_3  C19    C18    C17    C16      180.000    0.000   0
 DMM      var_1    C18    C17    O17    HO17     -89.973   20.000   1
 DMM      CONST_4  C18    C17    C16    C15      180.000    0.000   0
 DMM      var_2    C17    C16    C15    C12      150.000   20.000   2
 DMM      var_3    C16    C15    C12    C11       60.000   20.000   1
 DMM      var_4    C15    C12    O12    HO12      61.140   20.000   1
 DMM      var_5    C15    C12    C13    O13       23.353   20.000   1
 DMM      var_6    C12    C13    C14    O14      180.000   20.000   3
 DMM      var_7    C13    C14    O14    HO14     180.000   20.000   1
 DMM      var_8    C15    C12    C11    C10      -60.000   20.000   1
 DMM      var_9    C12    C11    C10    O10      180.000   20.000   3
 DMM      var_10   C11    C10    C9     C8       150.000   20.000   1
 DMM      CONST_5  C10    C9     C16    C17      180.000    0.000   0
 DMM      CONST_6  C10    C9     C8     C7       180.000    0.000   0
 DMM      var_11   C9     C8     O8     HO8      -95.270   20.000   1
 DMM      CONST_7  C9     C8     C7     C6       180.000    0.000   0
 DMM      CONST_8  C8     C7     C18    C19      180.000    0.000   0
 DMM      CONST_9  C8     C7     C6     C5       180.000    0.000   0
 DMM      CONST_10 C7     C6     C5     C4       180.000    0.000   0
 DMM      CONST_11 C6     C5     C20    C19        0.000    0.000   0
 DMM      CONST_12 C6     C5     C4     C3       180.000    0.000   0
 DMM      var_12   C5     C4     O4     C21     -179.980   20.000   1
 DMM      var_13   C4     O4     C21    H211     180.000   20.000   1
 DMM      CONST_13 C5     C4     C3     C2         0.000    0.000   0
 DMM      CONST_14 C4     C3     C2     C1         0.000    0.000   0
 DMM      CONST_15 C3     C2     C1     C20        0.000    0.000   0
 DMM      CONST_16 C2     C1     C20    C19      180.000    0.000   0
 DMM      var_14   C11    C10    O10    C1*      108.240   20.000   1
 DMM      var_15   C10    O10    C1*    C2*      166.313   20.000   1
 DMM      var_16   O10    C1*    O5*    C5*      -60.000   20.000   1
 DMM      var_17   O10    C1*    C2*    C3*       60.000   20.000   3
 DMM      var_18   C1*    C2*    C3*    N3*      180.000   20.000   3
 DMM      var_19   C2*    C3*    C4*    O4*       60.000   20.000   3
 DMM      var_20   C3*    C4*    C5*    O5*       60.000   20.000   3
 DMM      var_21   C4*    C5*    C6*    H6*1     179.528   20.000   3
 DMM      var_22   C4*    C5*    O5*    C1*      -60.000   20.000   1
 DMM      var_23   C3*    C4*    O4*    HO4*    -179.436   20.000   1
 DMM      var_24   C2*    C3*    N3*    C33       60.324   20.000   1
 DMM      var_25   C3*    N3*    C53    C63      180.000   20.000   1
 DMM      var_26   C3*    N3*    C33    C23      180.000   20.000   1
 DMM      var_27   N3*    C33    C23    O16      -60.000   20.000   3
 DMM      var_28   C33    C23    O23    C73     -179.893   20.000   1
 DMM      var_29   C23    O23    C73    H731     180.000   20.000   1
 DMM      var_30   C33    C23    O16    C63       60.000   20.000   1
 DMM      var_31   C23    O16    C63    C53      -60.000   20.000   1
 DMM      var_32   O16    C63    C53    N3*       60.000   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
 DMM      chir_01  C10    C9     O10    C11       negativ
 DMM      chir_02  C12    C11    O12    C13       positiv
 DMM      chir_03  C1*    O10    C2*    O5*       negativ
 DMM      chir_04  C3*    C2*    C4*    N3*       negativ
 DMM      chir_05  C4*    C3*    O4*    C5*       positiv
 DMM      chir_06  C5*    C4*    O5*    C6*       negativ
 DMM      chir_07  N3*    C3*    C33    C53       negativ
 DMM      chir_08  C23    C33    O16    O23       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
 DMM      plan-1    C1        0.020
 DMM      plan-1    C2        0.020
 DMM      plan-1    C20       0.020
 DMM      plan-1    H1        0.020
 DMM      plan-1    C3        0.020
 DMM      plan-1    C4        0.020
 DMM      plan-1    H2        0.020
 DMM      plan-1    H3        0.020
 DMM      plan-1    O4        0.020
 DMM      plan-1    C5        0.020
 DMM      plan-1    C6        0.020
 DMM      plan-1    C19       0.020
 DMM      plan-1    O6        0.020
 DMM      plan-1    C7        0.020
 DMM      plan-1    C8        0.020
 DMM      plan-1    C18       0.020
 DMM      plan-1    C9        0.020
 DMM      plan-1    C16       0.020
 DMM      plan-1    C17       0.020
 DMM      plan-1    O8        0.020
 DMM      plan-1    C10       0.020
 DMM      plan-1    C15       0.020
 DMM      plan-1    O17       0.020
 DMM      plan-1    O19       0.020
 DMM      plan-2    C13       0.020
 DMM      plan-2    C12       0.020
 DMM      plan-2    O13       0.020
 DMM      plan-2    C14       0.020
