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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
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
# ------------------------------------------------------
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