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
GMM      GMM 'GLUCOSE MONOMYCOLATE                ' non-polymer       200  74 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GMM
#
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
 GMM           OCR    O    O        -0.500      0.000    0.000    0.000
 GMM           CCQ    C    C         0.000     -0.315    1.200    0.163
 GMM           OCS    O    O2       -0.500      0.213    2.181   -0.404
 GMM           CCT    C    CH2       0.000      1.318    1.964   -1.370
 GMM           HCT1   H    H         0.000      1.321    2.765   -2.112
 GMM           HCT2   H    H         0.000      1.183    1.004   -1.873
 GMM           CCU    C    CH1       0.000      2.646    1.962   -0.612
 GMM           HCU    H    H         0.000      2.575    1.172    0.149
 GMM           CDC    C    CH1       0.000      3.871    1.634   -1.474
 GMM           HDC    H    H         0.000      4.723    1.446   -0.806
 GMM           ODD    O    OH1       0.000      3.644    0.464   -2.252
 GMM           HDD    H    H         0.000      2.751    0.135   -2.082
 GMM           CDA    C    CH1       0.000      4.234    2.791   -2.402
 GMM           HDA    H    H         0.000      3.474    2.882   -3.191
 GMM           ODB    O    OH1       0.000      5.510    2.535   -2.994
 GMM           HDB    H    H         0.000      6.203    2.660   -2.331
 GMM           CCY    C    CH1       0.000      4.323    4.101   -1.624
 GMM           HCY    H    H         0.000      5.221    4.084   -0.991
 GMM           OCZ    O    OH1       0.000      4.422    5.188   -2.546
 GMM           HCZ    H    H         0.000      3.605    5.248   -3.060
 GMM           CCW    C    CH1       0.000      3.094    4.323   -0.744
 GMM           HCW    H    H         0.000      2.216    4.509   -1.378
 GMM           OCX    O    OH1       0.000      3.347    5.469    0.071
 GMM           HCX    H    H         0.000      3.912    5.218    0.813
 GMM           OCV    O    O2        0.000      2.848    3.191    0.091
 GMM           CCG    C    CH1       0.000     -1.421    1.676    1.094
 GMM           HCG    H    H         0.000     -1.461    2.773    1.045
 GMM           CCH    C    CH2       0.000     -1.097    1.272    2.545
 GMM           HCH1   H    H         0.000     -1.111    0.181    2.579
 GMM           HCH2   H    H         0.000     -1.903    1.665    3.169
 GMM           CCI    C    CH2       0.000      0.254    1.786    3.067
 GMM           HCI1   H    H         0.000      1.013    1.392    2.388
 GMM           HCI2   H    H         0.000      0.387    1.344    4.057
 GMM           CCJ    C    CH2       0.000      0.394    3.309    3.162
 GMM           HCJ1   H    H         0.000     -0.438    3.655    3.780
 GMM           HCJ2   H    H         0.000      0.276    3.692    2.147
 GMM           CCK    C    CH2       0.000      1.714    3.816    3.751
 GMM           HCK1   H    H         0.000      2.525    3.383    3.161
 GMM           HCK2   H    H         0.000      1.778    3.452    4.778
 GMM           CCL    C    CH2       0.000      1.831    5.342    3.740
 GMM           HCL1   H    H         0.000      0.994    5.739    4.318
 GMM           HCL2   H    H         0.000      1.744    5.671    2.703
 GMM           CCM    C    CH2       0.000      3.149    5.853    4.330
 GMM           HCM1   H    H         0.000      3.962    5.375    3.779
 GMM           HCM2   H    H         0.000      3.185    5.537    5.375
 GMM           CCN    C    CH2       0.000      3.300    7.372    4.249
 GMM           HCN1   H    H         0.000      2.473    7.830    4.796
 GMM           HCN2   H    H         0.000      3.249    7.668    3.199
 GMM           CCO    C    CH3       0.000      4.621    7.835    4.845
 GMM           HCO3   H    H         0.000      4.679    7.531    5.858
 GMM           HCO2   H    H         0.000      5.424    7.405    4.303
 GMM           HCO1   H    H         0.000      4.685    8.891    4.790
 GMM           CCE    C    CH1       0.000     -2.767    1.121    0.576
 GMM           HCE    H    H         0.000     -3.568    1.478    1.239
 GMM           OCF    O    OH1       0.000     -2.770   -0.304    0.591
 GMM           HCF    H    H         0.000     -2.737   -0.635   -0.317
 GMM           CCD    C    CH2       0.000     -3.069    1.598   -0.850
 GMM           HCD1   H    H         0.000     -2.248    1.281   -1.495
 GMM           HCD2   H    H         0.000     -3.121    2.689   -0.839
 GMM           CCC    C    CH2       0.000     -4.389    1.027   -1.381
 GMM           HCC1   H    H         0.000     -5.204    1.367   -0.738
 GMM           HCC2   H    H         0.000     -4.337   -0.063   -1.355
 GMM           CCB    C    CH2       0.000     -4.642    1.492   -2.815
 GMM           HCB1   H    H         0.000     -3.800    1.174   -3.433
 GMM           HCB2   H    H         0.000     -4.703    2.582   -2.818
 GMM           CCA    C    CH2       0.000     -5.936    0.907   -3.377
 GMM           HCA1   H    H         0.000     -6.762    1.201   -2.725
 GMM           HCA2   H    H         0.000     -5.851   -0.181   -3.386
 GMM           CBZ    C    CH2       0.000     -6.201    1.412   -4.797
 GMM           HBZ1   H    H         0.000     -5.357    1.127   -5.430
 GMM           HBZ2   H    H         0.000     -6.283    2.500   -4.770
 GMM           CBY    C    CH2       0.000     -7.492    0.815   -5.366
 GMM           HBY1   H    H         0.000     -8.313    1.125   -4.717
 GMM           HBY2   H    H         0.000     -7.395   -0.273   -5.334
 GMM           CBX    C    CH2       0.000     -7.777    1.262   -6.804
 GMM           HBX1   H    H         0.000     -6.922    0.961   -7.413
 GMM           HBX2   H    H         0.000     -7.852    2.351   -6.797
 GMM           CBW    C    CH2       0.000     -9.063    0.662   -7.392
 GMM           HBW1   H    H         0.000     -9.888    0.981   -6.752
 GMM           HBW2   H    H         0.000     -8.963   -0.424   -7.341
 GMM           CBV    C    CH2       0.000     -9.342    1.084   -8.834
 GMM           HBV1   H    H         0.000     -8.479    0.810   -9.445
 GMM           HBV2   H    H         0.000     -9.472    2.168   -8.855
 GMM           CBU    C    CH2       0.000    -10.598    0.406   -9.387
 GMM           HBU1   H    H         0.000    -11.442    0.650   -8.740
 GMM           HBU2   H    H         0.000    -10.442   -0.675   -9.387
 GMM           CBT    C    CH2       0.000    -10.890    0.881  -10.812
 GMM           HBT1   H    H         0.000    -10.028    0.610  -11.426
 GMM           HBT2   H    H         0.000    -10.983    1.968  -10.777
 GMM           CBS    C    CH2       0.000    -12.157    0.279  -11.417
 GMM           HBS1   H    H         0.000    -11.978   -0.797  -11.468
 GMM           HBS2   H    H         0.000    -12.223    0.684  -12.429
 GMM           CBR    C    CH2       0.000    -13.470    0.547  -10.669
 GMM           HBR1   H    H         0.000    -13.378    0.047   -9.703
 GMM           HBR2   H    H         0.000    -14.257    0.065  -11.253
 GMM           CBQ    C    CH2       0.000    -13.824    2.026  -10.452
 GMM           HBQ1   H    H         0.000    -13.726    2.498  -11.431
 GMM           HBQ2   H    H         0.000    -13.055    2.416   -9.782
 GMM           CBP    C    CH2       0.000    -15.212    2.330   -9.871
 GMM           HBP1   H    H         0.000    -15.249    1.890   -8.873
 GMM           HBP2   H    H         0.000    -15.946    1.836  -10.512
 GMM           CBO    C    CH2       0.000    -15.532    3.824   -9.785
 GMM           HBO1   H    H         0.000    -15.550    4.216  -10.803
 GMM           HBO2   H    H         0.000    -14.724    4.301   -9.227
 GMM           CBN    C    CH2       0.000    -16.871    4.116   -9.098
 GMM           HBN1   H    H         0.000    -16.829    3.670   -8.102
 GMM           HBN2   H    H         0.000    -17.650    3.622   -9.683
 GMM           CBM    C    CH2       0.000    -17.190    5.609   -8.977
 GMM           HBM1   H    H         0.000    -17.160    6.056   -9.973
 GMM           HBM2   H    H         0.000    -16.435    6.080   -8.345
 GMM           CBL    C    CH2       0.000    -18.578    5.819   -8.362
 GMM           HBL1   H    H         0.000    -18.591    5.339   -7.382
 GMM           HBL2   H    H         0.000    -19.313    5.338   -9.011
 GMM           CBK    C    C1        0.000    -18.917    7.274   -8.213
 GMM           HBK    H    H         0.000    -18.946    7.878   -9.104
 GMM           CBJ    C    C1        0.000    -19.186    7.871   -7.042
 GMM           HBJ    H    H         0.000    -19.419    8.923   -7.042
 GMM           CBI    C    CH2       0.000    -19.178    7.136   -5.730
 GMM           HBI1   H    H         0.000    -18.902    7.863   -4.964
 GMM           HBI2   H    H         0.000    -18.401    6.372   -5.802
 GMM           CBH    C    CH2       0.000    -20.510    6.479   -5.357
 GMM           HBH1   H    H         0.000    -20.371    5.974   -4.399
 GMM           HBH2   H    H         0.000    -20.739    5.739   -6.127
 GMM           CBG    C    CH2       0.000    -21.668    7.478   -5.247
 GMM           HBG1   H    H         0.000    -21.781    7.989   -6.205
 GMM           HBG2   H    H         0.000    -21.426    8.209   -4.472
 GMM           CBF    C    CH2       0.000    -22.976    6.767   -4.889
 GMM           HBF1   H    H         0.000    -22.818    6.254   -3.937
 GMM           HBF2   H    H         0.000    -23.170    6.029   -5.670
 GMM           CBE    C    CH2       0.000    -24.175    7.713   -4.768
 GMM           HBE1   H    H         0.000    -24.285    8.231   -5.724
 GMM           HBE2   H    H         0.000    -23.946    8.440   -3.986
 GMM           CBD    C    CH2       0.000    -25.477    6.988   -4.427
 GMM           HBD1   H    H         0.000    -25.342    6.470   -3.475
 GMM           HBD2   H    H         0.000    -25.679    6.257   -5.212
 GMM           CBC    C    CH2       0.000    -26.656    7.962   -4.318
 GMM           HBC1   H    H         0.000    -26.745    8.486   -5.272
 GMM           HBC2   H    H         0.000    -26.424    8.680   -3.529
 GMM           CBB    C    CH2       0.000    -27.978    7.255   -3.996
 GMM           HBB1   H    H         0.000    -27.844    6.720   -3.053
 GMM           HBB2   H    H         0.000    -28.170    6.537   -4.796
 GMM           CBA    C    C1        0.000    -29.141    8.199   -3.878
 GMM           HBA    H    H         0.000    -29.721    8.401   -4.762
 GMM           CAZ    C    C1        0.000    -29.500    8.804   -2.736
 GMM           HAZ    H    H         0.000    -30.351    9.464   -2.753
 GMM           CAY    C    CH2       0.000    -28.774    8.608   -1.436
 GMM           HAY1   H    H         0.000    -28.877    9.530   -0.860
 GMM           HAY2   H    H         0.000    -27.720    8.442   -1.670
 GMM           CAX    C    CH2       0.000    -29.310    7.428   -0.615
 GMM           HAX1   H    H         0.000    -29.223    6.526   -1.224
 GMM           HAX2   H    H         0.000    -30.363    7.619   -0.397
 GMM           CAW    C    CH2       0.000    -28.542    7.238    0.695
 GMM           HAW1   H    H         0.000    -28.656    8.149    1.285
 GMM           HAW2   H    H         0.000    -27.488    7.095    0.448
 GMM           CAV    C    CH2       0.000    -29.045    6.039    1.501
 GMM           HAV1   H    H         0.000    -28.944    5.133    0.900
 GMM           HAV2   H    H         0.000    -30.097    6.191    1.753
 GMM           CAU    C    CH2       0.000    -28.228    5.894    2.785
 GMM           HAU1   H    H         0.000    -28.363    6.804    3.373
 GMM           HAU2   H    H         0.000    -27.177    5.796    2.504
 GMM           CAT    C    CH2       0.000    -28.652    4.682    3.614
 GMM           HAT1   H    H         0.000    -28.518    3.789    3.000
 GMM           HAT2   H    H         0.000    -29.709    4.796    3.863
 GMM           CAS    C    CH2       0.000    -27.835    4.544    4.904
 GMM           HAS1   H    H         0.000    -27.965    5.462    5.479
 GMM           HAS2   H    H         0.000    -26.785    4.439    4.621
 GMM           CAR    C    CH2       0.000    -28.259    3.342    5.753
 GMM           HAR1   H    H         0.000    -28.097    2.433    5.170
 GMM           HAR2   H    H         0.000    -29.322    3.441    5.984
 GMM           CAQ    C    CH2       0.000    -27.457    3.265    7.055
 GMM           HAQ1   H    H         0.000    -27.612    4.199    7.598
 GMM           HAQ2   H    H         0.000    -26.402    3.168    6.792
 GMM           CAP    C    CH2       0.000    -27.878    2.083    7.937
 GMM           HAP1   H    H         0.000    -27.716    1.175    7.353
 GMM           HAP2   H    H         0.000    -28.944    2.199    8.140
 GMM           CAO    C    CH2       0.000    -27.113    1.983    9.261
 GMM           HAO1   H    H         0.000    -27.271    2.933    9.774
 GMM           HAO2   H    H         0.000    -26.058    1.885    8.995
 GMM           CAN    C    CH2       0.000    -27.518    0.830   10.182
 GMM           HAN1   H    H         0.000    -27.409   -0.097    9.615
 GMM           HAN2   H    H         0.000    -28.568    0.974   10.445
 GMM           CAM    C    CH2       0.000    -26.676    0.751   11.459
 GMM           HAM1   H    H         0.000    -26.792    1.698   11.989
 GMM           HAM2   H    H         0.000    -25.634    0.627   11.159
 GMM           CAL    C    CH2       0.000    -27.085   -0.405   12.380
 GMM           HAL1   H    H         0.000    -27.035   -1.324   11.793
 GMM           HAL2   H    H         0.000    -28.118   -0.227   12.688
 GMM           CAK    C    CH2       0.000    -26.199   -0.541   13.618
 GMM           HAK1   H    H         0.000    -26.284    0.393   14.177
 GMM           HAK2   H    H         0.000    -25.173   -0.661   13.266
 GMM           CAJ    C    CH2       0.000    -26.570   -1.718   14.528
 GMM           HAJ1   H    H         0.000    -26.551   -2.614   13.905
 GMM           HAJ2   H    H         0.000    -27.590   -1.537   14.874
 GMM           CAI    C    CH2       0.000    -25.647   -1.914   15.735
 GMM           HAI1   H    H         0.000    -25.692   -1.001   16.333
 GMM           HAI2   H    H         0.000    -24.633   -2.048   15.353
 GMM           CAH    C    CH3       0.000    -26.028   -3.107   16.598
 GMM           HAH3   H    H         0.000    -26.995   -2.956   17.006
 GMM           HAH2   H    H         0.000    -26.030   -3.987   16.007
 GMM           HAH1   H    H         0.000    -25.327   -3.214   17.386
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
 GMM      OCR    n/a    CCQ    START
 GMM      CCQ    OCR    CCG    .
 GMM      OCS    CCQ    CCT    .
 GMM      CCT    OCS    CCU    .
 GMM      HCT1   CCT    .      .
 GMM      HCT2   CCT    .      .
 GMM      CCU    CCT    CDC    .
 GMM      HCU    CCU    .      .
 GMM      CDC    CCU    CDA    .
 GMM      HDC    CDC    .      .
 GMM      ODD    CDC    HDD    .
 GMM      HDD    ODD    .      .
 GMM      CDA    CDC    CCY    .
 GMM      HDA    CDA    .      .
 GMM      ODB    CDA    HDB    .
 GMM      HDB    ODB    .      .
 GMM      CCY    CDA    CCW    .
 GMM      HCY    CCY    .      .
 GMM      OCZ    CCY    HCZ    .
 GMM      HCZ    OCZ    .      .
 GMM      CCW    CCY    OCV    .
 GMM      HCW    CCW    .      .
 GMM      OCX    CCW    HCX    .
 GMM      HCX    OCX    .      .
 GMM      OCV    CCW    .      .
 GMM      CCG    CCQ    CCE    .
 GMM      HCG    CCG    .      .
 GMM      CCH    CCG    CCI    .
 GMM      HCH1   CCH    .      .
 GMM      HCH2   CCH    .      .
 GMM      CCI    CCH    CCJ    .
 GMM      HCI1   CCI    .      .
 GMM      HCI2   CCI    .      .
 GMM      CCJ    CCI    CCK    .
 GMM      HCJ1   CCJ    .      .
 GMM      HCJ2   CCJ    .      .
 GMM      CCK    CCJ    CCL    .
 GMM      HCK1   CCK    .      .
 GMM      HCK2   CCK    .      .
 GMM      CCL    CCK    CCM    .
 GMM      HCL1   CCL    .      .
 GMM      HCL2   CCL    .      .
 GMM      CCM    CCL    CCN    .
 GMM      HCM1   CCM    .      .
 GMM      HCM2   CCM    .      .
 GMM      CCN    CCM    CCO    .
 GMM      HCN1   CCN    .      .
 GMM      HCN2   CCN    .      .
 GMM      CCO    CCN    HCO1   .
 GMM      HCO3   CCO    .      .
 GMM      HCO2   CCO    .      .
 GMM      HCO1   CCO    .      .
 GMM      CCE    CCG    CCD    .
 GMM      HCE    CCE    .      .
 GMM      OCF    CCE    HCF    .
 GMM      HCF    OCF    .      .
 GMM      CCD    CCE    CCC    .
 GMM      HCD1   CCD    .      .
 GMM      HCD2   CCD    .      .
 GMM      CCC    CCD    CCB    .
 GMM      HCC1   CCC    .      .
 GMM      HCC2   CCC    .      .
 GMM      CCB    CCC    CCA    .
 GMM      HCB1   CCB    .      .
 GMM      HCB2   CCB    .      .
 GMM      CCA    CCB    CBZ    .
 GMM      HCA1   CCA    .      .
 GMM      HCA2   CCA    .      .
 GMM      CBZ    CCA    CBY    .
 GMM      HBZ1   CBZ    .      .
 GMM      HBZ2   CBZ    .      .
 GMM      CBY    CBZ    CBX    .
 GMM      HBY1   CBY    .      .
 GMM      HBY2   CBY    .      .
 GMM      CBX    CBY    CBW    .
 GMM      HBX1   CBX    .      .
 GMM      HBX2   CBX    .      .
 GMM      CBW    CBX    CBV    .
 GMM      HBW1   CBW    .      .
 GMM      HBW2   CBW    .      .
 GMM      CBV    CBW    CBU    .
 GMM      HBV1   CBV    .      .
 GMM      HBV2   CBV    .      .
 GMM      CBU    CBV    CBT    .
 GMM      HBU1   CBU    .      .
 GMM      HBU2   CBU    .      .
 GMM      CBT    CBU    CBS    .
 GMM      HBT1   CBT    .      .
 GMM      HBT2   CBT    .      .
 GMM      CBS    CBT    CBR    .
 GMM      HBS1   CBS    .      .
 GMM      HBS2   CBS    .      .
 GMM      CBR    CBS    CBQ    .
 GMM      HBR1   CBR    .      .
 GMM      HBR2   CBR    .      .
 GMM      CBQ    CBR    CBP    .
 GMM      HBQ1   CBQ    .      .
 GMM      HBQ2   CBQ    .      .
 GMM      CBP    CBQ    CBO    .
 GMM      HBP1   CBP    .      .
 GMM      HBP2   CBP    .      .
 GMM      CBO    CBP    CBN    .
 GMM      HBO1   CBO    .      .
 GMM      HBO2   CBO    .      .
 GMM      CBN    CBO    CBM    .
 GMM      HBN1   CBN    .      .
 GMM      HBN2   CBN    .      .
 GMM      CBM    CBN    CBL    .
 GMM      HBM1   CBM    .      .
 GMM      HBM2   CBM    .      .
 GMM      CBL    CBM    CBK    .
 GMM      HBL1   CBL    .      .
 GMM      HBL2   CBL    .      .
 GMM      CBK    CBL    CBJ    .
 GMM      HBK    CBK    .      .
 GMM      CBJ    CBK    CBI    .
 GMM      HBJ    CBJ    .      .
 GMM      CBI    CBJ    CBH    .
 GMM      HBI1   CBI    .      .
 GMM      HBI2   CBI    .      .
 GMM      CBH    CBI    CBG    .
 GMM      HBH1   CBH    .      .
 GMM      HBH2   CBH    .      .
 GMM      CBG    CBH    CBF    .
 GMM      HBG1   CBG    .      .
 GMM      HBG2   CBG    .      .
 GMM      CBF    CBG    CBE    .
 GMM      HBF1   CBF    .      .
 GMM      HBF2   CBF    .      .
 GMM      CBE    CBF    CBD    .
 GMM      HBE1   CBE    .      .
 GMM      HBE2   CBE    .      .
 GMM      CBD    CBE    CBC    .
 GMM      HBD1   CBD    .      .
 GMM      HBD2   CBD    .      .
 GMM      CBC    CBD    CBB    .
 GMM      HBC1   CBC    .      .
 GMM      HBC2   CBC    .      .
 GMM      CBB    CBC    CBA    .
 GMM      HBB1   CBB    .      .
 GMM      HBB2   CBB    .      .
 GMM      CBA    CBB    CAZ    .
 GMM      HBA    CBA    .      .
 GMM      CAZ    CBA    CAY    .
 GMM      HAZ    CAZ    .      .
 GMM      CAY    CAZ    CAX    .
 GMM      HAY1   CAY    .      .
 GMM      HAY2   CAY    .      .
 GMM      CAX    CAY    CAW    .
 GMM      HAX1   CAX    .      .
 GMM      HAX2   CAX    .      .
 GMM      CAW    CAX    CAV    .
 GMM      HAW1   CAW    .      .
 GMM      HAW2   CAW    .      .
 GMM      CAV    CAW    CAU    .
 GMM      HAV1   CAV    .      .
 GMM      HAV2   CAV    .      .
 GMM      CAU    CAV    CAT    .
 GMM      HAU1   CAU    .      .
 GMM      HAU2   CAU    .      .
 GMM      CAT    CAU    CAS    .
 GMM      HAT1   CAT    .      .
 GMM      HAT2   CAT    .      .
 GMM      CAS    CAT    CAR    .
 GMM      HAS1   CAS    .      .
 GMM      HAS2   CAS    .      .
 GMM      CAR    CAS    CAQ    .
 GMM      HAR1   CAR    .      .
 GMM      HAR2   CAR    .      .
 GMM      CAQ    CAR    CAP    .
 GMM      HAQ1   CAQ    .      .
 GMM      HAQ2   CAQ    .      .
 GMM      CAP    CAQ    CAO    .
 GMM      HAP1   CAP    .      .
 GMM      HAP2   CAP    .      .
 GMM      CAO    CAP    CAN    .
 GMM      HAO1   CAO    .      .
 GMM      HAO2   CAO    .      .
 GMM      CAN    CAO    CAM    .
 GMM      HAN1   CAN    .      .
 GMM      HAN2   CAN    .      .
 GMM      CAM    CAN    CAL    .
 GMM      HAM1   CAM    .      .
 GMM      HAM2   CAM    .      .
 GMM      CAL    CAM    CAK    .
 GMM      HAL1   CAL    .      .
 GMM      HAL2   CAL    .      .
 GMM      CAK    CAL    CAJ    .
 GMM      HAK1   CAK    .      .
 GMM      HAK2   CAK    .      .
 GMM      CAJ    CAK    CAI    .
 GMM      HAJ1   CAJ    .      .
 GMM      HAJ2   CAJ    .      .
 GMM      CAI    CAJ    CAH    .
 GMM      HAI1   CAI    .      .
 GMM      HAI2   CAI    .      .
 GMM      CAH    CAI    HAH1   .
 GMM      HAH3   CAH    .      .
 GMM      HAH2   CAH    .      .
 GMM      HAH1   CAH    .      END
 GMM      CCU    OCV    .    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
 GMM      CAH    CAI       single      1.513    0.020
 GMM      HAH1   CAH       single      1.059    0.020
 GMM      HAH2   CAH       single      1.059    0.020
 GMM      HAH3   CAH       single      1.059    0.020
 GMM      CAI    CAJ       single      1.524    0.020
 GMM      HAI1   CAI       single      1.092    0.020
 GMM      HAI2   CAI       single      1.092    0.020
 GMM      CAJ    CAK       single      1.524    0.020
 GMM      HAJ1   CAJ       single      1.092    0.020
 GMM      HAJ2   CAJ       single      1.092    0.020
 GMM      CAK    CAL       single      1.524    0.020
 GMM      HAK1   CAK       single      1.092    0.020
 GMM      HAK2   CAK       single      1.092    0.020
 GMM      CAL    CAM       single      1.524    0.020
 GMM      HAL1   CAL       single      1.092    0.020
 GMM      HAL2   CAL       single      1.092    0.020
 GMM      CAM    CAN       single      1.524    0.020
 GMM      HAM1   CAM       single      1.092    0.020
 GMM      HAM2   CAM       single      1.092    0.020
 GMM      CAN    CAO       single      1.524    0.020
 GMM      HAN1   CAN       single      1.092    0.020
 GMM      HAN2   CAN       single      1.092    0.020
 GMM      CAO    CAP       single      1.524    0.020
 GMM      HAO1   CAO       single      1.092    0.020
 GMM      HAO2   CAO       single      1.092    0.020
 GMM      CAP    CAQ       single      1.524    0.020
 GMM      HAP1   CAP       single      1.092    0.020
 GMM      HAP2   CAP       single      1.092    0.020
 GMM      CAQ    CAR       single      1.524    0.020
 GMM      HAQ1   CAQ       single      1.092    0.020
 GMM      HAQ2   CAQ       single      1.092    0.020
 GMM      CAR    CAS       single      1.524    0.020
 GMM      HAR1   CAR       single      1.092    0.020
 GMM      HAR2   CAR       single      1.092    0.020
 GMM      CAS    CAT       single      1.524    0.020
 GMM      HAS1   CAS       single      1.092    0.020
 GMM      HAS2   CAS       single      1.092    0.020
 GMM      CAT    CAU       single      1.524    0.020
 GMM      HAT1   CAT       single      1.092    0.020
 GMM      HAT2   CAT       single      1.092    0.020
 GMM      CAU    CAV       single      1.524    0.020
 GMM      HAU1   CAU       single      1.092    0.020
 GMM      HAU2   CAU       single      1.092    0.020
 GMM      CAV    CAW       single      1.524    0.020
 GMM      HAV1   CAV       single      1.092    0.020
 GMM      HAV2   CAV       single      1.092    0.020
 GMM      CAW    CAX       single      1.524    0.020
 GMM      HAW1   CAW       single      1.092    0.020
 GMM      HAW2   CAW       single      1.092    0.020
 GMM      CAX    CAY       single      1.524    0.020
 GMM      HAX1   CAX       single      1.092    0.020
 GMM      HAX2   CAX       single      1.092    0.020
 GMM      CAY    CAZ       single      1.510    0.020
 GMM      HAY1   CAY       single      1.092    0.020
 GMM      HAY2   CAY       single      1.092    0.020
 GMM      CAZ    CBA       double      1.330    0.020
 GMM      HAZ    CAZ       single      1.077    0.020
 GMM      CBA    CBB       single      1.510    0.020
 GMM      HBA    CBA       single      1.077    0.020
 GMM      CBB    CBC       single      1.524    0.020
 GMM      HBB1   CBB       single      1.092    0.020
 GMM      HBB2   CBB       single      1.092    0.020
 GMM      CBC    CBD       single      1.524    0.020
 GMM      HBC1   CBC       single      1.092    0.020
 GMM      HBC2   CBC       single      1.092    0.020
 GMM      CBD    CBE       single      1.524    0.020
 GMM      HBD1   CBD       single      1.092    0.020
 GMM      HBD2   CBD       single      1.092    0.020
 GMM      CBE    CBF       single      1.524    0.020
 GMM      HBE1   CBE       single      1.092    0.020
 GMM      HBE2   CBE       single      1.092    0.020
 GMM      CBF    CBG       single      1.524    0.020
 GMM      HBF1   CBF       single      1.092    0.020
 GMM      HBF2   CBF       single      1.092    0.020
 GMM      CBG    CBH       single      1.524    0.020
 GMM      HBG1   CBG       single      1.092    0.020
 GMM      HBG2   CBG       single      1.092    0.020
 GMM      CBH    CBI       single      1.524    0.020
 GMM      HBH1   CBH       single      1.092    0.020
 GMM      HBH2   CBH       single      1.092    0.020
 GMM      CBI    CBJ       single      1.510    0.020
 GMM      HBI1   CBI       single      1.092    0.020
 GMM      HBI2   CBI       single      1.092    0.020
 GMM      CBJ    CBK       double      1.330    0.020
 GMM      HBJ    CBJ       single      1.077    0.020
 GMM      CBK    CBL       single      1.510    0.020
 GMM      HBK    CBK       single      1.077    0.020
 GMM      CBL    CBM       single      1.524    0.020
 GMM      HBL1   CBL       single      1.092    0.020
 GMM      HBL2   CBL       single      1.092    0.020
 GMM      CBM    CBN       single      1.524    0.020
 GMM      HBM1   CBM       single      1.092    0.020
 GMM      HBM2   CBM       single      1.092    0.020
 GMM      CBN    CBO       single      1.524    0.020
 GMM      HBN1   CBN       single      1.092    0.020
 GMM      HBN2   CBN       single      1.092    0.020
 GMM      CBO    CBP       single      1.524    0.020
 GMM      HBO1   CBO       single      1.092    0.020
 GMM      HBO2   CBO       single      1.092    0.020
 GMM      CBP    CBQ       single      1.524    0.020
 GMM      HBP1   CBP       single      1.092    0.020
 GMM      HBP2   CBP       single      1.092    0.020
 GMM      CBQ    CBR       single      1.524    0.020
 GMM      HBQ1   CBQ       single      1.092    0.020
 GMM      HBQ2   CBQ       single      1.092    0.020
 GMM      CBR    CBS       single      1.524    0.020
 GMM      HBR1   CBR       single      1.092    0.020
 GMM      HBR2   CBR       single      1.092    0.020
 GMM      CBS    CBT       single      1.524    0.020
 GMM      HBS1   CBS       single      1.092    0.020
 GMM      HBS2   CBS       single      1.092    0.020
 GMM      CBT    CBU       single      1.524    0.020
 GMM      HBT1   CBT       single      1.092    0.020
 GMM      HBT2   CBT       single      1.092    0.020
 GMM      CBU    CBV       single      1.524    0.020
 GMM      HBU1   CBU       single      1.092    0.020
 GMM      HBU2   CBU       single      1.092    0.020
 GMM      CBV    CBW       single      1.524    0.020
 GMM      HBV1   CBV       single      1.092    0.020
 GMM      HBV2   CBV       single      1.092    0.020
 GMM      CBW    CBX       single      1.524    0.020
 GMM      HBW1   CBW       single      1.092    0.020
 GMM      HBW2   CBW       single      1.092    0.020
 GMM      CBX    CBY       single      1.524    0.020
 GMM      HBX1   CBX       single      1.092    0.020
 GMM      HBX2   CBX       single      1.092    0.020
 GMM      CBY    CBZ       single      1.524    0.020
 GMM      HBY1   CBY       single      1.092    0.020
 GMM      HBY2   CBY       single      1.092    0.020
 GMM      CBZ    CCA       single      1.524    0.020
 GMM      HBZ1   CBZ       single      1.092    0.020
 GMM      HBZ2   CBZ       single      1.092    0.020
 GMM      CCA    CCB       single      1.524    0.020
 GMM      HCA1   CCA       single      1.092    0.020
 GMM      HCA2   CCA       single      1.092    0.020
 GMM      CCB    CCC       single      1.524    0.020
 GMM      HCB1   CCB       single      1.092    0.020
 GMM      HCB2   CCB       single      1.092    0.020
 GMM      CCC    CCD       single      1.524    0.020
 GMM      HCC1   CCC       single      1.092    0.020
 GMM      HCC2   CCC       single      1.092    0.020
 GMM      CCD    CCE       single      1.524    0.020
 GMM      HCD1   CCD       single      1.092    0.020
 GMM      HCD2   CCD       single      1.092    0.020
 GMM      OCF    CCE       single      1.432    0.020
 GMM      CCE    CCG       single      1.524    0.020
 GMM      HCE    CCE       single      1.099    0.020
 GMM      HCF    OCF       single      0.967    0.020
 GMM      CCH    CCG       single      1.524    0.020
 GMM      CCG    CCQ       single      1.500    0.020
 GMM      HCG    CCG       single      1.099    0.020
 GMM      CCI    CCH       single      1.524    0.020
 GMM      HCH1   CCH       single      1.092    0.020
 GMM      HCH2   CCH       single      1.092    0.020
 GMM      CCJ    CCI       single      1.524    0.020
 GMM      HCI1   CCI       single      1.092    0.020
 GMM      HCI2   CCI       single      1.092    0.020
 GMM      CCK    CCJ       single      1.524    0.020
 GMM      HCJ1   CCJ       single      1.092    0.020
 GMM      HCJ2   CCJ       single      1.092    0.020
 GMM      CCL    CCK       single      1.524    0.020
 GMM      HCK1   CCK       single      1.092    0.020
 GMM      HCK2   CCK       single      1.092    0.020
 GMM      CCM    CCL       single      1.524    0.020
 GMM      HCL1   CCL       single      1.092    0.020
 GMM      HCL2   CCL       single      1.092    0.020
 GMM      CCN    CCM       single      1.524    0.020
 GMM      HCM1   CCM       single      1.092    0.020
 GMM      HCM2   CCM       single      1.092    0.020
 GMM      CCO    CCN       single      1.513    0.020
 GMM      HCN1   CCN       single      1.092    0.020
 GMM      HCN2   CCN       single      1.092    0.020
 GMM      HCO1   CCO       single      1.059    0.020
 GMM      HCO2   CCO       single      1.059    0.020
 GMM      HCO3   CCO       single      1.059    0.020
 GMM      CCQ    OCR       deloc       1.220    0.020
 GMM      OCS    CCQ       deloc       1.454    0.020
 GMM      CCT    OCS       single      1.426    0.020
 GMM      CCU    CCT       single      1.524    0.020
 GMM      HCT1   CCT       single      1.092    0.020
 GMM      HCT2   CCT       single      1.092    0.020
 GMM      CCU    OCV       single      1.426    0.020
 GMM      CDC    CCU       single      1.524    0.020
 GMM      HCU    CCU       single      1.099    0.020
 GMM      OCV    CCW       single      1.426    0.020
 GMM      OCX    CCW       single      1.432    0.020
 GMM      CCW    CCY       single      1.524    0.020
 GMM      HCW    CCW       single      1.099    0.020
 GMM      HCX    OCX       single      0.967    0.020
 GMM      OCZ    CCY       single      1.432    0.020
 GMM      CCY    CDA       single      1.524    0.020
 GMM      HCY    CCY       single      1.099    0.020
 GMM      HCZ    OCZ       single      0.967    0.020
 GMM      ODB    CDA       single      1.432    0.020
 GMM      CDA    CDC       single      1.524    0.020
 GMM      HDA    CDA       single      1.099    0.020
 GMM      HDB    ODB       single      0.967    0.020
 GMM      ODD    CDC       single      1.432    0.020
 GMM      HDC    CDC       single      1.099    0.020
 GMM      HDD    ODD       single      0.967    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
 GMM      OCR    CCQ    OCS     119.000    3.000
 GMM      OCR    CCQ    CCG     120.500    3.000
 GMM      OCS    CCQ    CCG     120.000    3.000
 GMM      CCQ    OCS    CCT     120.000    3.000
 GMM      OCS    CCT    HCT1    109.470    3.000
 GMM      OCS    CCT    HCT2    109.470    3.000
 GMM      OCS    CCT    CCU     109.470    3.000
 GMM      HCT1   CCT    HCT2    107.900    3.000
 GMM      HCT1   CCT    CCU     109.470    3.000
 GMM      HCT2   CCT    CCU     109.470    3.000
 GMM      CCT    CCU    HCU     108.340    3.000
 GMM      CCT    CCU    CDC     111.000    3.000
 GMM      CCT    CCU    OCV     109.470    3.000
 GMM      HCU    CCU    CDC     108.340    3.000
 GMM      HCU    CCU    OCV     109.470    3.000
 GMM      CDC    CCU    OCV     109.470    3.000
 GMM      CCU    CDC    HDC     108.340    3.000
 GMM      CCU    CDC    ODD     109.470    3.000
 GMM      CCU    CDC    CDA     111.000    3.000
 GMM      HDC    CDC    ODD     109.470    3.000
 GMM      HDC    CDC    CDA     108.340    3.000
 GMM      ODD    CDC    CDA     109.470    3.000
 GMM      CDC    ODD    HDD     109.470    3.000
 GMM      CDC    CDA    HDA     108.340    3.000
 GMM      CDC    CDA    ODB     109.470    3.000
 GMM      CDC    CDA    CCY     111.000    3.000
 GMM      HDA    CDA    ODB     109.470    3.000
 GMM      HDA    CDA    CCY     108.340    3.000
 GMM      ODB    CDA    CCY     109.470    3.000
 GMM      CDA    ODB    HDB     109.470    3.000
 GMM      CDA    CCY    HCY     108.340    3.000
 GMM      CDA    CCY    OCZ     109.470    3.000
 GMM      CDA    CCY    CCW     111.000    3.000
 GMM      HCY    CCY    OCZ     109.470    3.000
 GMM      HCY    CCY    CCW     108.340    3.000
 GMM      OCZ    CCY    CCW     109.470    3.000
 GMM      CCY    OCZ    HCZ     109.470    3.000
 GMM      CCY    CCW    HCW     108.340    3.000
 GMM      CCY    CCW    OCX     109.470    3.000
 GMM      CCY    CCW    OCV     109.470    3.000
 GMM      HCW    CCW    OCX     109.470    3.000
 GMM      HCW    CCW    OCV     109.470    3.000
 GMM      OCX    CCW    OCV     109.470    3.000
 GMM      CCW    OCX    HCX     109.470    3.000
 GMM      CCW    OCV    CCU     111.800    3.000
 GMM      CCQ    CCG    HCG     108.810    3.000
 GMM      CCQ    CCG    CCH     109.470    3.000
 GMM      CCQ    CCG    CCE     109.470    3.000
 GMM      HCG    CCG    CCH     108.340    3.000
 GMM      HCG    CCG    CCE     108.340    3.000
 GMM      CCH    CCG    CCE     111.000    3.000
 GMM      CCG    CCH    HCH1    109.470    3.000
 GMM      CCG    CCH    HCH2    109.470    3.000
 GMM      CCG    CCH    CCI     111.000    3.000
 GMM      HCH1   CCH    HCH2    107.900    3.000
 GMM      HCH1   CCH    CCI     109.470    3.000
 GMM      HCH2   CCH    CCI     109.470    3.000
 GMM      CCH    CCI    HCI1    109.470    3.000
 GMM      CCH    CCI    HCI2    109.470    3.000
 GMM      CCH    CCI    CCJ     111.000    3.000
 GMM      HCI1   CCI    HCI2    107.900    3.000
 GMM      HCI1   CCI    CCJ     109.470    3.000
 GMM      HCI2   CCI    CCJ     109.470    3.000
 GMM      CCI    CCJ    HCJ1    109.470    3.000
 GMM      CCI    CCJ    HCJ2    109.470    3.000
 GMM      CCI    CCJ    CCK     111.000    3.000
 GMM      HCJ1   CCJ    HCJ2    107.900    3.000
 GMM      HCJ1   CCJ    CCK     109.470    3.000
 GMM      HCJ2   CCJ    CCK     109.470    3.000
 GMM      CCJ    CCK    HCK1    109.470    3.000
 GMM      CCJ    CCK    HCK2    109.470    3.000
 GMM      CCJ    CCK    CCL     111.000    3.000
 GMM      HCK1   CCK    HCK2    107.900    3.000
 GMM      HCK1   CCK    CCL     109.470    3.000
 GMM      HCK2   CCK    CCL     109.470    3.000
 GMM      CCK    CCL    HCL1    109.470    3.000
 GMM      CCK    CCL    HCL2    109.470    3.000
 GMM      CCK    CCL    CCM     111.000    3.000
 GMM      HCL1   CCL    HCL2    107.900    3.000
 GMM      HCL1   CCL    CCM     109.470    3.000
 GMM      HCL2   CCL    CCM     109.470    3.000
 GMM      CCL    CCM    HCM1    109.470    3.000
 GMM      CCL    CCM    HCM2    109.470    3.000
 GMM      CCL    CCM    CCN     111.000    3.000
 GMM      HCM1   CCM    HCM2    107.900    3.000
 GMM      HCM1   CCM    CCN     109.470    3.000
 GMM      HCM2   CCM    CCN     109.470    3.000
 GMM      CCM    CCN    HCN1    109.470    3.000
 GMM      CCM    CCN    HCN2    109.470    3.000
 GMM      CCM    CCN    CCO     111.000    3.000
 GMM      HCN1   CCN    HCN2    107.900    3.000
 GMM      HCN1   CCN    CCO     109.470    3.000
 GMM      HCN2   CCN    CCO     109.470    3.000
 GMM      CCN    CCO    HCO3    109.470    3.000
 GMM      CCN    CCO    HCO2    109.470    3.000
 GMM      CCN    CCO    HCO1    109.470    3.000
 GMM      HCO3   CCO    HCO2    109.470    3.000
 GMM      HCO3   CCO    HCO1    109.470    3.000
 GMM      HCO2   CCO    HCO1    109.470    3.000
 GMM      CCG    CCE    HCE     108.340    3.000
 GMM      CCG    CCE    OCF     109.470    3.000
 GMM      CCG    CCE    CCD     111.000    3.000
 GMM      HCE    CCE    OCF     109.470    3.000
 GMM      HCE    CCE    CCD     108.340    3.000
 GMM      OCF    CCE    CCD     109.470    3.000
 GMM      CCE    OCF    HCF     109.470    3.000
 GMM      CCE    CCD    HCD1    109.470    3.000
 GMM      CCE    CCD    HCD2    109.470    3.000
 GMM      CCE    CCD    CCC     111.000    3.000
 GMM      HCD1   CCD    HCD2    107.900    3.000
 GMM      HCD1   CCD    CCC     109.470    3.000
 GMM      HCD2   CCD    CCC     109.470    3.000
 GMM      CCD    CCC    HCC1    109.470    3.000
 GMM      CCD    CCC    HCC2    109.470    3.000
 GMM      CCD    CCC    CCB     111.000    3.000
 GMM      HCC1   CCC    HCC2    107.900    3.000
 GMM      HCC1   CCC    CCB     109.470    3.000
 GMM      HCC2   CCC    CCB     109.470    3.000
 GMM      CCC    CCB    HCB1    109.470    3.000
 GMM      CCC    CCB    HCB2    109.470    3.000
 GMM      CCC    CCB    CCA     111.000    3.000
 GMM      HCB1   CCB    HCB2    107.900    3.000
 GMM      HCB1   CCB    CCA     109.470    3.000
 GMM      HCB2   CCB    CCA     109.470    3.000
 GMM      CCB    CCA    HCA1    109.470    3.000
 GMM      CCB    CCA    HCA2    109.470    3.000
 GMM      CCB    CCA    CBZ     111.000    3.000
 GMM      HCA1   CCA    HCA2    107.900    3.000
 GMM      HCA1   CCA    CBZ     109.470    3.000
 GMM      HCA2   CCA    CBZ     109.470    3.000
 GMM      CCA    CBZ    HBZ1    109.470    3.000
 GMM      CCA    CBZ    HBZ2    109.470    3.000
 GMM      CCA    CBZ    CBY     111.000    3.000
 GMM      HBZ1   CBZ    HBZ2    107.900    3.000
 GMM      HBZ1   CBZ    CBY     109.470    3.000
 GMM      HBZ2   CBZ    CBY     109.470    3.000
 GMM      CBZ    CBY    HBY1    109.470    3.000
 GMM      CBZ    CBY    HBY2    109.470    3.000
 GMM      CBZ    CBY    CBX     111.000    3.000
 GMM      HBY1   CBY    HBY2    107.900    3.000
 GMM      HBY1   CBY    CBX     109.470    3.000
 GMM      HBY2   CBY    CBX     109.470    3.000
 GMM      CBY    CBX    HBX1    109.470    3.000
 GMM      CBY    CBX    HBX2    109.470    3.000
 GMM      CBY    CBX    CBW     111.000    3.000
 GMM      HBX1   CBX    HBX2    107.900    3.000
 GMM      HBX1   CBX    CBW     109.470    3.000
 GMM      HBX2   CBX    CBW     109.470    3.000
 GMM      CBX    CBW    HBW1    109.470    3.000
 GMM      CBX    CBW    HBW2    109.470    3.000
 GMM      CBX    CBW    CBV     111.000    3.000
 GMM      HBW1   CBW    HBW2    107.900    3.000
 GMM      HBW1   CBW    CBV     109.470    3.000
 GMM      HBW2   CBW    CBV     109.470    3.000
 GMM      CBW    CBV    HBV1    109.470    3.000
 GMM      CBW    CBV    HBV2    109.470    3.000
 GMM      CBW    CBV    CBU     111.000    3.000
 GMM      HBV1   CBV    HBV2    107.900    3.000
 GMM      HBV1   CBV    CBU     109.470    3.000
 GMM      HBV2   CBV    CBU     109.470    3.000
 GMM      CBV    CBU    HBU1    109.470    3.000
 GMM      CBV    CBU    HBU2    109.470    3.000
 GMM      CBV    CBU    CBT     111.000    3.000
 GMM      HBU1   CBU    HBU2    107.900    3.000
 GMM      HBU1   CBU    CBT     109.470    3.000
 GMM      HBU2   CBU    CBT     109.470    3.000
 GMM      CBU    CBT    HBT1    109.470    3.000
 GMM      CBU    CBT    HBT2    109.470    3.000
 GMM      CBU    CBT    CBS     111.000    3.000
 GMM      HBT1   CBT    HBT2    107.900    3.000
 GMM      HBT1   CBT    CBS     109.470    3.000
 GMM      HBT2   CBT    CBS     109.470    3.000
 GMM      CBT    CBS    HBS1    109.470    3.000
 GMM      CBT    CBS    HBS2    109.470    3.000
 GMM      CBT    CBS    CBR     111.000    3.000
 GMM      HBS1   CBS    HBS2    107.900    3.000
 GMM      HBS1   CBS    CBR     109.470    3.000
 GMM      HBS2   CBS    CBR     109.470    3.000
 GMM      CBS    CBR    HBR1    109.470    3.000
 GMM      CBS    CBR    HBR2    109.470    3.000
 GMM      CBS    CBR    CBQ     111.000    3.000
 GMM      HBR1   CBR    HBR2    107.900    3.000
 GMM      HBR1   CBR    CBQ     109.470    3.000
 GMM      HBR2   CBR    CBQ     109.470    3.000
 GMM      CBR    CBQ    HBQ1    109.470    3.000
 GMM      CBR    CBQ    HBQ2    109.470    3.000
 GMM      CBR    CBQ    CBP     111.000    3.000
 GMM      HBQ1   CBQ    HBQ2    107.900    3.000
 GMM      HBQ1   CBQ    CBP     109.470    3.000
 GMM      HBQ2   CBQ    CBP     109.470    3.000
 GMM      CBQ    CBP    HBP1    109.470    3.000
 GMM      CBQ    CBP    HBP2    109.470    3.000
 GMM      CBQ    CBP    CBO     111.000    3.000
 GMM      HBP1   CBP    HBP2    107.900    3.000
 GMM      HBP1   CBP    CBO     109.470    3.000
 GMM      HBP2   CBP    CBO     109.470    3.000
 GMM      CBP    CBO    HBO1    109.470    3.000
 GMM      CBP    CBO    HBO2    109.470    3.000
 GMM      CBP    CBO    CBN     111.000    3.000
 GMM      HBO1   CBO    HBO2    107.900    3.000
 GMM      HBO1   CBO    CBN     109.470    3.000
 GMM      HBO2   CBO    CBN     109.470    3.000
 GMM      CBO    CBN    HBN1    109.470    3.000
 GMM      CBO    CBN    HBN2    109.470    3.000
 GMM      CBO    CBN    CBM     111.000    3.000
 GMM      HBN1   CBN    HBN2    107.900    3.000
 GMM      HBN1   CBN    CBM     109.470    3.000
 GMM      HBN2   CBN    CBM     109.470    3.000
 GMM      CBN    CBM    HBM1    109.470    3.000
 GMM      CBN    CBM    HBM2    109.470    3.000
 GMM      CBN    CBM    CBL     111.000    3.000
 GMM      HBM1   CBM    HBM2    107.900    3.000
 GMM      HBM1   CBM    CBL     109.470    3.000
 GMM      HBM2   CBM    CBL     109.470    3.000
 GMM      CBM    CBL    HBL1    109.470    3.000
 GMM      CBM    CBL    HBL2    109.470    3.000
 GMM      CBM    CBL    CBK     109.470    3.000
 GMM      HBL1   CBL    HBL2    107.900    3.000
 GMM      HBL1   CBL    CBK     109.470    3.000
 GMM      HBL2   CBL    CBK     109.470    3.000
 GMM      CBL    CBK    HBK     120.000    3.000
 GMM      CBL    CBK    CBJ     120.000    3.000
 GMM      HBK    CBK    CBJ     120.000    3.000
 GMM      CBK    CBJ    HBJ     120.000    3.000
 GMM      CBK    CBJ    CBI     120.000    3.000
 GMM      HBJ    CBJ    CBI     120.000    3.000
 GMM      CBJ    CBI    HBI1    109.470    3.000
 GMM      CBJ    CBI    HBI2    109.470    3.000
 GMM      CBJ    CBI    CBH     109.470    3.000
 GMM      HBI1   CBI    HBI2    107.900    3.000
 GMM      HBI1   CBI    CBH     109.470    3.000
 GMM      HBI2   CBI    CBH     109.470    3.000
 GMM      CBI    CBH    HBH1    109.470    3.000
 GMM      CBI    CBH    HBH2    109.470    3.000
 GMM      CBI    CBH    CBG     111.000    3.000
 GMM      HBH1   CBH    HBH2    107.900    3.000
 GMM      HBH1   CBH    CBG     109.470    3.000
 GMM      HBH2   CBH    CBG     109.470    3.000
 GMM      CBH    CBG    HBG1    109.470    3.000
 GMM      CBH    CBG    HBG2    109.470    3.000
 GMM      CBH    CBG    CBF     111.000    3.000
 GMM      HBG1   CBG    HBG2    107.900    3.000
 GMM      HBG1   CBG    CBF     109.470    3.000
 GMM      HBG2   CBG    CBF     109.470    3.000
 GMM      CBG    CBF    HBF1    109.470    3.000
 GMM      CBG    CBF    HBF2    109.470    3.000
 GMM      CBG    CBF    CBE     111.000    3.000
 GMM      HBF1   CBF    HBF2    107.900    3.000
 GMM      HBF1   CBF    CBE     109.470    3.000
 GMM      HBF2   CBF    CBE     109.470    3.000
 GMM      CBF    CBE    HBE1    109.470    3.000
 GMM      CBF    CBE    HBE2    109.470    3.000
 GMM      CBF    CBE    CBD     111.000    3.000
 GMM      HBE1   CBE    HBE2    107.900    3.000
 GMM      HBE1   CBE    CBD     109.470    3.000
 GMM      HBE2   CBE    CBD     109.470    3.000
 GMM      CBE    CBD    HBD1    109.470    3.000
 GMM      CBE    CBD    HBD2    109.470    3.000
 GMM      CBE    CBD    CBC     111.000    3.000
 GMM      HBD1   CBD    HBD2    107.900    3.000
 GMM      HBD1   CBD    CBC     109.470    3.000
 GMM      HBD2   CBD    CBC     109.470    3.000
 GMM      CBD    CBC    HBC1    109.470    3.000
 GMM      CBD    CBC    HBC2    109.470    3.000
 GMM      CBD    CBC    CBB     111.000    3.000
 GMM      HBC1   CBC    HBC2    107.900    3.000
 GMM      HBC1   CBC    CBB     109.470    3.000
 GMM      HBC2   CBC    CBB     109.470    3.000
 GMM      CBC    CBB    HBB1    109.470    3.000
 GMM      CBC    CBB    HBB2    109.470    3.000
 GMM      CBC    CBB    CBA     109.470    3.000
 GMM      HBB1   CBB    HBB2    107.900    3.000
 GMM      HBB1   CBB    CBA     109.470    3.000
 GMM      HBB2   CBB    CBA     109.470    3.000
 GMM      CBB    CBA    HBA     120.000    3.000
 GMM      CBB    CBA    CAZ     120.000    3.000
 GMM      HBA    CBA    CAZ     120.000    3.000
 GMM      CBA    CAZ    HAZ     120.000    3.000
 GMM      CBA    CAZ    CAY     120.000    3.000
 GMM      HAZ    CAZ    CAY     120.000    3.000
 GMM      CAZ    CAY    HAY1    109.470    3.000
 GMM      CAZ    CAY    HAY2    109.470    3.000
 GMM      CAZ    CAY    CAX     109.470    3.000
 GMM      HAY1   CAY    HAY2    107.900    3.000
 GMM      HAY1   CAY    CAX     109.470    3.000
 GMM      HAY2   CAY    CAX     109.470    3.000
 GMM      CAY    CAX    HAX1    109.470    3.000
 GMM      CAY    CAX    HAX2    109.470    3.000
 GMM      CAY    CAX    CAW     111.000    3.000
 GMM      HAX1   CAX    HAX2    107.900    3.000
 GMM      HAX1   CAX    CAW     109.470    3.000
 GMM      HAX2   CAX    CAW     109.470    3.000
 GMM      CAX    CAW    HAW1    109.470    3.000
 GMM      CAX    CAW    HAW2    109.470    3.000
 GMM      CAX    CAW    CAV     111.000    3.000
 GMM      HAW1   CAW    HAW2    107.900    3.000
 GMM      HAW1   CAW    CAV     109.470    3.000
 GMM      HAW2   CAW    CAV     109.470    3.000
 GMM      CAW    CAV    HAV1    109.470    3.000
 GMM      CAW    CAV    HAV2    109.470    3.000
 GMM      CAW    CAV    CAU     111.000    3.000
 GMM      HAV1   CAV    HAV2    107.900    3.000
 GMM      HAV1   CAV    CAU     109.470    3.000
 GMM      HAV2   CAV    CAU     109.470    3.000
 GMM      CAV    CAU    HAU1    109.470    3.000
 GMM      CAV    CAU    HAU2    109.470    3.000
 GMM      CAV    CAU    CAT     111.000    3.000
 GMM      HAU1   CAU    HAU2    107.900    3.000
 GMM      HAU1   CAU    CAT     109.470    3.000
 GMM      HAU2   CAU    CAT     109.470    3.000
 GMM      CAU    CAT    HAT1    109.470    3.000
 GMM      CAU    CAT    HAT2    109.470    3.000
 GMM      CAU    CAT    CAS     111.000    3.000
 GMM      HAT1   CAT    HAT2    107.900    3.000
 GMM      HAT1   CAT    CAS     109.470    3.000
 GMM      HAT2   CAT    CAS     109.470    3.000
 GMM      CAT    CAS    HAS1    109.470    3.000
 GMM      CAT    CAS    HAS2    109.470    3.000
 GMM      CAT    CAS    CAR     111.000    3.000
 GMM      HAS1   CAS    HAS2    107.900    3.000
 GMM      HAS1   CAS    CAR     109.470    3.000
 GMM      HAS2   CAS    CAR     109.470    3.000
 GMM      CAS    CAR    HAR1    109.470    3.000
 GMM      CAS    CAR    HAR2    109.470    3.000
 GMM      CAS    CAR    CAQ     111.000    3.000
 GMM      HAR1   CAR    HAR2    107.900    3.000
 GMM      HAR1   CAR    CAQ     109.470    3.000
 GMM      HAR2   CAR    CAQ     109.470    3.000
 GMM      CAR    CAQ    HAQ1    109.470    3.000
 GMM      CAR    CAQ    HAQ2    109.470    3.000
 GMM      CAR    CAQ    CAP     111.000    3.000
 GMM      HAQ1   CAQ    HAQ2    107.900    3.000
 GMM      HAQ1   CAQ    CAP     109.470    3.000
 GMM      HAQ2   CAQ    CAP     109.470    3.000
 GMM      CAQ    CAP    HAP1    109.470    3.000
 GMM      CAQ    CAP    HAP2    109.470    3.000
 GMM      CAQ    CAP    CAO     111.000    3.000
 GMM      HAP1   CAP    HAP2    107.900    3.000
 GMM      HAP1   CAP    CAO     109.470    3.000
 GMM      HAP2   CAP    CAO     109.470    3.000
 GMM      CAP    CAO    HAO1    109.470    3.000
 GMM      CAP    CAO    HAO2    109.470    3.000
 GMM      CAP    CAO    CAN     111.000    3.000
 GMM      HAO1   CAO    HAO2    107.900    3.000
 GMM      HAO1   CAO    CAN     109.470    3.000
 GMM      HAO2   CAO    CAN     109.470    3.000
 GMM      CAO    CAN    HAN1    109.470    3.000
 GMM      CAO    CAN    HAN2    109.470    3.000
 GMM      CAO    CAN    CAM     111.000    3.000
 GMM      HAN1   CAN    HAN2    107.900    3.000
 GMM      HAN1   CAN    CAM     109.470    3.000
 GMM      HAN2   CAN    CAM     109.470    3.000
 GMM      CAN    CAM    HAM1    109.470    3.000
 GMM      CAN    CAM    HAM2    109.470    3.000
 GMM      CAN    CAM    CAL     111.000    3.000
 GMM      HAM1   CAM    HAM2    107.900    3.000
 GMM      HAM1   CAM    CAL     109.470    3.000
 GMM      HAM2   CAM    CAL     109.470    3.000
 GMM      CAM    CAL    HAL1    109.470    3.000
 GMM      CAM    CAL    HAL2    109.470    3.000
 GMM      CAM    CAL    CAK     111.000    3.000
 GMM      HAL1   CAL    HAL2    107.900    3.000
 GMM      HAL1   CAL    CAK     109.470    3.000
 GMM      HAL2   CAL    CAK     109.470    3.000
 GMM      CAL    CAK    HAK1    109.470    3.000
 GMM      CAL    CAK    HAK2    109.470    3.000
 GMM      CAL    CAK    CAJ     111.000    3.000
 GMM      HAK1   CAK    HAK2    107.900    3.000
 GMM      HAK1   CAK    CAJ     109.470    3.000
 GMM      HAK2   CAK    CAJ     109.470    3.000
 GMM      CAK    CAJ    HAJ1    109.470    3.000
 GMM      CAK    CAJ    HAJ2    109.470    3.000
 GMM      CAK    CAJ    CAI     111.000    3.000
 GMM      HAJ1   CAJ    HAJ2    107.900    3.000
 GMM      HAJ1   CAJ    CAI     109.470    3.000
 GMM      HAJ2   CAJ    CAI     109.470    3.000
 GMM      CAJ    CAI    HAI1    109.470    3.000
 GMM      CAJ    CAI    HAI2    109.470    3.000
 GMM      CAJ    CAI    CAH     111.000    3.000
 GMM      HAI1   CAI    HAI2    107.900    3.000
 GMM      HAI1   CAI    CAH     109.470    3.000
 GMM      HAI2   CAI    CAH     109.470    3.000
 GMM      CAI    CAH    HAH3    109.470    3.000
 GMM      CAI    CAH    HAH2    109.470    3.000
 GMM      CAI    CAH    HAH1    109.470    3.000
 GMM      HAH3   CAH    HAH2    109.470    3.000
 GMM      HAH3   CAH    HAH1    109.470    3.000
 GMM      HAH2   CAH    HAH1    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
 GMM      var_1    OCR    CCQ    OCS    CCT        0.023   20.000   1
 GMM      var_2    CCQ    OCS    CCT    CCU      -88.651   20.000   1
 GMM      var_3    OCS    CCT    CCU    CDC      175.310   20.000   3
 GMM      var_4    CCT    CCU    OCV    CCW      -60.000   20.000   1
 GMM      var_5    CCT    CCU    CDC    CDA       60.000   20.000   3
 GMM      var_6    CCU    CDC    ODD    HDD        1.168   20.000   1
 GMM      var_7    CCU    CDC    CDA    CCY       60.000   20.000   3
 GMM      var_8    CDC    CDA    ODB    HDB      -73.168   20.000   1
 GMM      var_9    CDC    CDA    CCY    CCW      -60.000   20.000   3
 GMM      var_10   CDA    CCY    OCZ    HCZ       65.065   20.000   1
 GMM      var_11   CDA    CCY    CCW    OCV       60.000   20.000   3
 GMM      var_12   CCY    CCW    OCX    HCX      -79.361   20.000   1
 GMM      var_13   CCY    CCW    OCV    CCU      -60.000   20.000   1
 GMM      var_14   OCR    CCQ    CCG    CCE      -63.766   20.000   3
 GMM      var_15   CCQ    CCG    CCH    CCI       56.731   20.000   3
 GMM      var_16   CCG    CCH    CCI    CCJ       63.660   20.000   3
 GMM      var_17   CCH    CCI    CCJ    CCK      176.949   20.000   3
 GMM      var_18   CCI    CCJ    CCK    CCL      176.410   20.000   3
 GMM      var_19   CCJ    CCK    CCL    CCM      179.910   20.000   3
 GMM      var_20   CCK    CCL    CCM    CCN      176.817   20.000   3
 GMM      var_21   CCL    CCM    CCN    CCO     -179.982   20.000   3
 GMM      var_22   CCM    CCN    CCO    HCO1    -178.909   20.000   3
 GMM      var_23   CCQ    CCG    CCE    CCD      -59.638   20.000   3
 GMM      var_24   CCG    CCE    OCF    HCF     -109.138   20.000   1
 GMM      var_25   CCG    CCE    CCD    CCC      178.763   20.000   3
 GMM      var_26   CCE    CCD    CCC    CCB     -178.525   20.000   3
 GMM      var_27   CCD    CCC    CCB    CCA      178.649   20.000   3
 GMM      var_28   CCC    CCB    CCA    CBZ      178.313   20.000   3
 GMM      var_29   CCB    CCA    CBZ    CBY      179.430   20.000   3
 GMM      var_30   CCA    CBZ    CBY    CBX     -178.380   20.000   3
 GMM      var_31   CBZ    CBY    CBX    CBW      179.554   20.000   3
 GMM      var_32   CBY    CBX    CBW    CBV     -178.997   20.000   3
 GMM      var_33   CBX    CBW    CBV    CBU      177.326   20.000   3
 GMM      var_34   CBW    CBV    CBU    CBT      177.856   20.000   3
 GMM      var_35   CBV    CBU    CBT    CBS     -178.169   20.000   3
 GMM      var_36   CBU    CBT    CBS    CBR       59.276   20.000   3
 GMM      var_37   CBT    CBS    CBR    CBQ       56.974   20.000   3
 GMM      var_38   CBS    CBR    CBQ    CBP      172.325   20.000   3
 GMM      var_39   CBR    CBQ    CBP    CBO     -175.533   20.000   3
 GMM      var_40   CBQ    CBP    CBO    CBN     -175.257   20.000   3
 GMM      var_41   CBP    CBO    CBN    CBM      178.773   20.000   3
 GMM      var_42   CBO    CBN    CBM    CBL      176.482   20.000   3
 GMM      var_43   CBN    CBM    CBL    CBK      179.269   20.000   3
 GMM      var_44   CBM    CBL    CBK    CBJ     -119.824   20.000   1
 GMM      CONST_1  CBL    CBK    CBJ    CBI        0.005    0.000   0
 GMM      var_45   CBK    CBJ    CBI    CBH      -87.718   20.000   1
 GMM      var_46   CBJ    CBI    CBH    CBG      -59.421   20.000   3
 GMM      var_47   CBI    CBH    CBG    CBF      179.325   20.000   3
 GMM      var_48   CBH    CBG    CBF    CBE     -179.792   20.000   3
 GMM      var_49   CBG    CBF    CBE    CBD      179.319   20.000   3
 GMM      var_50   CBF    CBE    CBD    CBC     -179.833   20.000   3
 GMM      var_51   CBE    CBD    CBC    CBB      179.169   20.000   3
 GMM      var_52   CBD    CBC    CBB    CBA      179.623   20.000   3
 GMM      var_53   CBC    CBB    CBA    CAZ      -88.594   20.000   1
 GMM      CONST_2  CBB    CBA    CAZ    CAY        0.064    0.000   0
 GMM      var_54   CBA    CAZ    CAY    CAX      -88.886   20.000   1
 GMM      var_55   CAZ    CAY    CAX    CAW      179.239   20.000   3
 GMM      var_56   CAY    CAX    CAW    CAV     -178.409   20.000   3
 GMM      var_57   CAX    CAW    CAV    CAU      179.279   20.000   3
 GMM      var_58   CAW    CAV    CAU    CAT     -178.040   20.000   3
 GMM      var_59   CAV    CAU    CAT    CAS     -179.735   20.000   3
 GMM      var_60   CAU    CAT    CAS    CAR      179.337   20.000   3
 GMM      var_61   CAT    CAS    CAR    CAQ     -177.932   20.000   3
 GMM      var_62   CAS    CAR    CAQ    CAP      179.065   20.000   3
 GMM      var_63   CAR    CAQ    CAP    CAO     -179.109   20.000   3
 GMM      var_64   CAQ    CAP    CAO    CAN      179.020   20.000   3
 GMM      var_65   CAP    CAO    CAN    CAM      177.533   20.000   3
 GMM      var_66   CAO    CAN    CAM    CAL      179.971   20.000   3
 GMM      var_67   CAN    CAM    CAL    CAK      176.696   20.000   3
 GMM      var_68   CAM    CAL    CAK    CAJ     -178.288   20.000   3
 GMM      var_69   CAL    CAK    CAJ    CAI      176.923   20.000   3
 GMM      var_70   CAK    CAJ    CAI    CAH     -178.790   20.000   3
 GMM      var_71   CAJ    CAI    CAH    HAH1     177.346   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
 GMM      chir_01  CCE    CCD    OCF    CCG       negativ
 GMM      chir_02  CCG    CCE    CCH    CCQ       negativ
 GMM      chir_03  CCU    CCT    OCV    CDC       positiv
 GMM      chir_04  CCW    OCV    OCX    CCY       negativ
 GMM      chir_05  CCY    CCW    OCZ    CDA       positiv
 GMM      chir_06  CDA    CCY    ODB    CDC       negativ
 GMM      chir_07  CDC    CCU    CDA    ODD       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
 GMM      plan-1    CAZ       0.020
 GMM      plan-1    CAY       0.020
 GMM      plan-1    CBA       0.020
 GMM      plan-1    HAZ       0.020
 GMM      plan-1    CBB       0.020
 GMM      plan-1    HBA       0.020
 GMM      plan-2    CBJ       0.020
 GMM      plan-2    CBI       0.020
 GMM      plan-2    CBK       0.020
 GMM      plan-2    HBJ       0.020
 GMM      plan-2    CBL       0.020
 GMM      plan-2    HBK       0.020
 GMM      plan-3    CCQ       0.020
 GMM      plan-3    CCG       0.020
 GMM      plan-3    OCR       0.020
 GMM      plan-3    OCS       0.020
# ------------------------------------------------------
