# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Fri Jun  5 21:43:03 2020
#   Inital geometry file: a 321 line input string
#   Ligand name: 2-decyl-2-({[4-O-(alpha-L-glucopyranosyl)-beta-L-mannopyranosyl]oxy}methyl)dodecyl 4-O-alpha-L-glucopyranosyl-beta-L-glucopyranoside
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCCCCCCCCCC(CCCCCCCCCC)(CO[C@H]1O[C@@H](CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O)CO[C@H]3O[C@@H](CO)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@H]3O
#
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
_chem_comp.initial_date
_chem_comp.modified_date
_chem_comp.source
 LMN  LMN  '2-decyl-2-({[4-O-(alpha-L-glucopyranosyl)-beta-L-mannopyranosyl]oxy}methyl)dodecyl 4-O-alpha-L-glucopyranosyl-beta-L-glucopyranoside'  ligand  157  69  .  2022-07-25  2022-07-26
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_LMN
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 LMN  C1    C  CH1   0   0.303  -3.4230    0.6421   0.3002
 LMN  O1    O  O2    0  -0.502  -2.6735   -0.3360   0.9075
 LMN  C2    C  CH1   0  -0.027  -3.9007    1.6263   1.3628
 LMN  O2    O  OH1   0  -0.664  -2.8275    2.2934   1.9768
 LMN  C3    C  CH1   0   0.012  -4.7610    2.6806   0.6825
 LMN  O3    O  OH1   0  -0.670  -5.3515    3.5586   1.6132
 LMN  C4    C  CH1   0   0.018  -5.8799    2.0338  -0.1274
 LMN  O4    O  O2    0  -0.517  -6.5117    3.0658  -0.8493
 LMN  C5    C  CH1   0  -0.012  -5.2991    0.9711  -1.0739
 LMN  O5    O  O2    0  -0.494  -4.5308    0.0508  -0.3264
 LMN  C6    C  CH2   0  -0.187  -6.3763    0.1923  -1.7962
 LMN  O6    O  OH1   0  -0.669  -5.7597   -0.7222  -2.6726
 LMN  CAA   C  CH3   0  -0.662   4.6404   10.2468   0.5279
 LMN  CAB   C  CH3   0  -0.662  -3.5447  -13.4543   3.8980
 LMN  OAN   O  OH1   0  -0.669   6.2951   -3.3570   0.7062
 LMN  OAP   O  OH1   0  -0.668   3.8899   -2.7253   1.9724
 LMN  OAQ   O  OH1   0  -0.673  -7.9277    5.8637  -3.9805
 LMN  OAR   O  OH1   0  -0.673   9.6756    0.2265  -3.7412
 LMN  OAS   O  OH1   0  -0.677  -8.1736    6.9209  -1.3478
 LMN  OAT   O  OH1   0  -0.677  10.6825   -1.6953  -1.9038
 LMN  OAU   O  OH1   0  -0.689  -7.6982    5.0556   0.8041
 LMN  OAV   O  OH1   0  -0.691   8.9774   -2.2859   0.3537
 LMN  CAW   C  CH2   0  -0.419   4.3979    8.9909   1.3538
 LMN  CAX   C  CH2   0  -0.418  -3.0347  -12.1085   4.3946
 LMN  CAY   C  CH2   0  -0.406   3.5697    7.9484   0.6132
 LMN  CAZ   C  CH2   0  -0.406  -3.0694  -11.0273   3.3213
 LMN  CBA   C  CH2   0  -0.412   3.3174    6.6852   1.4266
 LMN  CBB   C  CH2   0  -0.411  -2.5605   -9.6759   3.8066
 LMN  CBC   C  CH2   0  -0.411   2.4900    5.6467   0.6801
 LMN  CBD   C  CH2   0  -0.411  -2.5853   -8.5999   2.7281
 LMN  CBE   C  CH2   0  -0.413   2.2315    4.3813   1.4882
 LMN  CBF   C  CH2   0  -0.412  -2.0702   -7.2491   3.2091
 LMN  CBG   C  CH2   0  -0.418   1.4088    3.3472   0.7315
 LMN  CBH   C  CH2   0  -0.412  -2.0603   -6.1866   2.1173
 LMN  CBK   C  CH2   0  -0.446   0.3750    1.0265   0.7393
 LMN  CBL   C  CH2   0  -0.438  -1.4210   -3.8158   1.4599
 LMN  CBM   C  CH2   0  -0.161  -8.8384    3.1099  -4.3286
 LMN  CBN   C  CH2   0  -0.161   8.1738    2.4401  -2.5520
 LMN  CBP   C  CH2   0  -0.188   4.3757    0.9320  -0.7635
 LMN  CBS   C  CH2   0  -0.151  -1.7623   -1.0284   0.0726
 LMN  OBV   O  O2    0  -0.511   1.6041   -2.5228   0.4722
 LMN  OBX   O  O2    0  -0.479   3.0877   -0.9402  -0.1334
 LMN  OBY   O  O2    0  -0.496  -8.5001    2.8794  -2.0045
 LMN  OBZ   O  O2    0  -0.497   7.8008    0.9864  -0.7332
 LMN  OCB   O  O2    0  -0.519   6.6800   -1.0351  -0.7245
 LMN  CCC   C  CH1   0  -0.013  -8.1014    3.6571  -3.1247
 LMN  CCD   C  CH1   0  -0.013   8.1210    0.9907  -2.1171
 LMN  CCF   C  CH1   0  -0.004   4.2981   -0.5795  -0.7591
 LMN  CCH   C  CH1   0   0.024   5.2318   -2.7552   0.0065
 LMN  CCJ   C  CH1   0   0.303   2.8106   -2.3138  -0.1598
 LMN  CCL   C  CH1   0  -0.047   3.8758   -3.0849   0.6172
 LMN  CCM   C  CT    0  -0.174  -0.5202   -1.4334   0.8679
 LMN  CCN   C  CH1   0   0.033  -8.4145    5.1342  -2.8806
 LMN  CCO   C  CH1   0   0.035   9.4498    0.2723  -2.3533
 LMN  CCQ   C  CH1   0   0.021   5.4718   -1.2477  -0.0270
 LMN  CCR   C  CH1   0   0.220  -7.9022    3.2163  -0.7922
 LMN  CCS   C  CH1   0   0.215   7.6928   -0.2688  -0.1372
 LMN  CCT   C  CH1   0  -0.011  -7.7759    5.5877  -1.5731
 LMN  CCU   C  CH1   0  -0.013   9.4038   -1.1233  -1.7425
 LMN  CCV   C  CH1   0  -0.009  -8.2218    4.6693  -0.4380
 LMN  CCW   C  CH1   0  -0.006   9.0122   -1.0297  -0.2701
 LMN  H1    H  HCH1  0   0.185  -2.8201    1.1864  -0.4521
 LMN  H4    H  HCH1  0   0.241  -6.5883    1.5462   0.5588
 LMN  H5    H  HCH1  0   0.228  -4.6634    1.4774  -1.8184
 LMN  H2    H  HCH1  0   0.228  -4.5116    1.0784   2.0966
 LMN  HO2   H  HOH1  0   0.459  -2.3155    1.6534   2.4816
 LMN  H3    H  HCH1  0   0.229  -4.1212    3.2388  -0.0189
 LMN  HO3   H  HOH1  0   0.466  -4.6580    4.0801   2.0317
 LMN  H6    H  HCH2  0   0.194  -7.0074   -0.3159  -1.0529
 LMN  H6A   H  HCH2  0   0.237  -7.0150    0.8932  -2.3380
 LMN  HBP   H  HCH2  0   0.245   5.3826    1.2444  -1.0425
 LMN  HBPA  H  HCH2  0   0.199   4.1887    1.2989   0.2552
 LMN  HBS   H  HCH2  0   0.235  -2.2451   -1.9119  -0.3579
 LMN  HBSA  H  HCH2  0   0.223  -1.4670   -0.3910  -0.7712
 LMN  HOAJ  H  HOH1  0   0.456   6.9227    3.9037  -2.7471
 LMN  HO6   H  HOH1  0   0.455  -6.4414   -1.0902  -3.2412
 LMN  HOAL  H  HOH1  0   0.451   3.6279    2.3516  -1.8490
 LMN  HOAN  H  HOH1  0   0.466   6.2717   -4.3076   0.5520
 LMN  HOAP  H  HOH1  0   0.450   2.9863   -2.7708   2.3032
 LMN  HOAQ  H  HOH1  0   0.455  -8.1101    6.7964  -3.8270
 LMN  HOAR  H  HOH1  0   0.454  10.4928   -0.2593  -3.8936
 LMN  HOAS  H  HOH1  0   0.454  -7.7071    7.2463  -0.5712
 LMN  HOAT  H  HOH1  0   0.454  10.6391   -2.6119  -1.6138
 LMN  HOAU  H  HOH1  0   0.448  -6.8031    4.6958   0.9161
 LMN  HOAV  H  HOH1  0   0.448   8.0975   -2.6810   0.2430
 LMN  HAX   H  HCH2  0   0.210  -3.6301  -11.7840   5.2540
 LMN  HAXA  H  HCH2  0   0.209  -2.0101  -12.2195   4.7627
 LMN  HAY   H  HCH2  0   0.206   2.6101    8.3898   0.3205
 LMN  HAYA  H  HCH2  0   0.205   4.0759    7.6830  -0.3218
 LMN  HAZ   H  HCH2  0   0.205  -2.4729  -11.3522   2.4611
 LMN  HAZA  H  HCH2  0   0.205  -4.0952  -10.9181   2.9519
 LMN  HAA   H  HCH3  0   0.215   5.1736   10.0126  -0.3955
 LMN  HAAA  H  HCH3  0   0.215   3.6979   10.7228   0.2498
 LMN  HAAB  H  HCH3  0   0.225   5.2332   10.9813   1.0743
 LMN  HAB   H  HCH3  0   0.215  -4.5809  -13.3852   3.5614
 LMN  HABA  H  HCH3  0   0.215  -2.9503  -13.8132   3.0556
 LMN  HABB  H  HCH3  0   0.226  -3.5015  -14.2138   4.6792
 LMN  HAW   H  HCH2  0   0.210   5.3571    8.5506   1.6438
 LMN  HAWA  H  HCH2  0   0.210   3.8927    9.2560   2.2878
 LMN  HBN   H  HCH2  0   0.211   8.5312    2.4798  -3.5862
 LMN  HBNA  H  HCH2  0   0.197   8.9123    2.9697  -1.9338
 LMN  HBA   H  HCH2  0   0.206   4.2767    6.2433   1.7190
 LMN  HBAA  H  HCH2  0   0.206   2.8099    6.9498   2.3611
 LMN  HBB   H  HCH2  0   0.206  -3.1608   -9.3475   4.6626
 LMN  HBBA  H  HCH2  0   0.205  -1.5369   -9.7875   4.1813
 LMN  HBC   H  HCH2  0   0.206   1.5325    6.0901   0.3841
 LMN  HBCA  H  HCH2  0   0.204   2.9995    5.3818  -0.2534
 LMN  HBD   H  HCH2  0   0.206  -1.9856   -8.9314   1.8728
 LMN  HBDA  H  HCH2  0   0.206  -3.6082   -8.4859   2.3526
 LMN  HBE   H  HCH2  0   0.205   3.1892    3.9367   1.7824
 LMN  HBEA  H  HCH2  0   0.205   1.7208    4.6434   2.4217
 LMN  HBF   H  HCH2  0   0.206  -2.6819   -6.9051   4.0508
 LMN  HBFA  H  HCH2  0   0.205  -1.0547   -7.3685   3.6031
 LMN  HBG   H  HCH2  0   0.203   0.4507    3.7894   0.4350
 LMN  HBGA  H  HCH2  0   0.206   1.9234    3.0846  -0.1979
 LMN  HBH   H  HCH2  0   0.206  -1.4510   -6.5401   1.2776
 LMN  HBHA  H  HCH2  0   0.207  -3.0741   -6.0604   1.7216
 LMN  HBI   H  HCH2  0   0.208   2.1114    1.6420   1.8375
 LMN  HBIA  H  HCH2  0   0.201   0.6153    2.3207   2.4484
 LMN  HBJ   H  HCH2  0   0.209  -2.1692   -4.4476   3.3839
 LMN  HBJA  H  HCH2  0   0.206  -0.5375   -4.9764   3.0346
 LMN  HBK   H  HCH2  0   0.206  -0.5647    1.4725   0.4003
 LMN  HBKA  H  HCH2  0   0.233   0.9463    0.7756  -0.1574
 LMN  HBL   H  HCH2  0   0.216  -0.7838   -4.2372   0.6767
 LMN  HBLA  H  HCH2  0   0.214  -2.4080   -3.6786   1.0074
 LMN  HBM   H  HCH2  0   0.211  -8.6306    3.7589  -5.1860
 LMN  HBMA  H  HCH2  0   0.197  -9.9198    3.1613  -4.1393
 LMN  HCC   H  HCH1  0   0.229  -7.0213    3.5511  -3.2967
 LMN  HCD   H  HCH1  0   0.229   7.3352    0.4819  -2.6929
 LMN  HCF   H  HCH1  0   0.217   4.3139   -0.9300  -1.8051
 LMN  HCH   H  HCH1  0   0.232   5.2101   -3.1049  -1.0365
 LMN  HCJ   H  HCH1  0   0.194   2.7898   -2.6715  -1.2061
 LMN  HCL   H  HCH1  0   0.235   3.6810   -4.1614   0.4871
 LMN  HCQ   H  HCH1  0   0.242   5.5413   -0.8552   0.9962
 LMN  HCR   H  HCH1  0   0.253  -8.3334    2.5434  -0.0417
 LMN  HCS   H  HCH1  0   0.255   7.4679   -0.0797   0.9190
 LMN  HCN   H  HCH1  0   0.210  -9.5067    5.2465  -2.7831
 LMN  HCO   H  HCH1  0   0.209  10.2458    0.8407  -1.8442
 LMN  HCT   H  HCH1  0   0.212  -6.6827    5.5255  -1.6842
 LMN  HCU   H  HCH1  0   0.213   8.6486   -1.7152  -2.2817
 LMN  HCV   H  HCH1  0   0.236  -9.3122    4.7445  -0.3510
 LMN  HCW   H  HCH1  0   0.235   9.7770   -0.4391   0.2481
 LMN  OAI   O  OH1   0  -0.664  -8.4089    1.7893  -4.5612
 LMN  CBQ   C  CH2   0  -0.402   0.1106   -0.2205   1.5766
 LMN  CBR   C  CH2   0  -0.394  -0.8628   -2.4813   1.9441
 LMN  CBT   C  CH2   0  -0.149   0.4536   -2.0015  -0.1705
 LMN  OAL   O  OH1   0  -0.664   3.4239    1.4280  -1.6804
 LMN  CBI   C  CH2   0  -0.407   1.1538    2.0736   1.5259
 LMN  CBJ   C  CH2   0  -0.408  -1.5277   -4.8385   2.5862
 LMN  HBQ   H  HCH2  0   0.228   1.0575   -0.5475   2.0159
 LMN  OAJ   O  OH1   0  -0.663   6.8867    2.9979  -2.4272
 LMN  HBQA  H  HCH2  0   0.212  -0.5194    0.0543   2.4294
 LMN  HBR   H  HCH2  0   0.224  -1.5727   -2.0319   2.6451
 LMN  HBRA  H  HCH2  0   0.221   0.0416   -2.6733   2.5302
 LMN  HBT   H  HCH2  0   0.240   0.7212   -1.2142  -0.8799
 LMN  HBTA  H  HCH2  0   0.226  -0.0233   -2.8003  -0.7510
 LMN  HOAI  H  HOH1  0   0.456  -8.8795    1.4549  -5.3298

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
_chem_comp_bond.value_dist_neutron
 LMN  O5    C1    single  1.403  0.020  1.403
 LMN  C2    C1    single  1.525  0.020  1.525
 LMN  C1    O1    single  1.374  0.020  1.374
 LMN  C1    H1    single  0.970  0.020  1.090
 LMN  CBS   O1    single  1.417  0.020  1.417
 LMN  H2    C2    single  0.970  0.020  1.090
 LMN  C2    C3    single  1.521  0.020  1.521
 LMN  C2    O2    single  1.405  0.020  1.405
 LMN  HO2   O2    single  0.850  0.020  0.980
 LMN  O3    C3    single  1.409  0.020  1.409
 LMN  C4    C3    single  1.525  0.020  1.525
 LMN  C3    H3    single  0.970  0.020  1.090
 LMN  HO3   O3    single  0.850  0.020  0.980
 LMN  C5    C4    single  1.537  0.020  1.537
 LMN  H4    C4    single  0.970  0.020  1.090
 LMN  C4    O4    single  1.409  0.020  1.409
 LMN  O4    CCR   single  1.400  0.020  1.400
 LMN  C6    C5    single  1.513  0.020  1.513
 LMN  C5    H5    single  0.970  0.020  1.090
 LMN  C5    O5    single  1.413  0.020  1.413
 LMN  O6    C6    single  1.409  0.020  1.409
 LMN  H6A   C6    single  0.970  0.020  1.090
 LMN  H6    C6    single  0.970  0.020  1.090
 LMN  HO6   O6    single  0.850  0.020  0.980
 LMN  HAAB  CAA   single  0.970  0.020  1.090
 LMN  CAW   CAA   single  1.523  0.020  1.523
 LMN  CAA   HAA   single  0.970  0.020  1.090
 LMN  CAA   HAAA  single  0.970  0.020  1.090
 LMN  HABB  CAB   single  0.970  0.020  1.090
 LMN  CAB   HABA  single  0.970  0.020  1.090
 LMN  CAB   CAX   single  1.522  0.020  1.522
 LMN  CAB   HAB   single  0.970  0.020  1.090
 LMN  CBM   OAI   single  1.408  0.020  1.408
 LMN  HOAI  OAI   single  0.850  0.020  0.980
 LMN  HOAJ  OAJ   single  0.850  0.020  0.980
 LMN  CBN   OAJ   single  1.408  0.020  1.408
 LMN  HOAL  OAL   single  0.850  0.020  0.980
 LMN  OAL   CBP   single  1.412  0.020  1.412
 LMN  CCH   OAN   single  1.408  0.020  1.408
 LMN  OAN   HOAN  single  0.850  0.020  0.980
 LMN  CCL   OAP   single  1.402  0.020  1.402
 LMN  HOAP  OAP   single  0.850  0.020  0.980
 LMN  CCN   OAQ   single  1.407  0.020  1.407
 LMN  OAQ   HOAQ  single  0.850  0.020  0.980
 LMN  CCO   OAR   single  1.407  0.020  1.407
 LMN  HOAR  OAR   single  0.850  0.020  0.980
 LMN  HOAS  OAS   single  0.850  0.020  0.980
 LMN  CCT   OAS   single  1.409  0.020  1.409
 LMN  HOAT  OAT   single  0.850  0.020  0.980
 LMN  OAT   CCU   single  1.410  0.020  1.410
 LMN  HOAU  OAU   single  0.850  0.020  0.980
 LMN  OAU   CCV   single  1.402  0.020  1.402
 LMN  CCW   OAV   single  1.403  0.020  1.403
 LMN  OAV   HOAV  single  0.850  0.020  0.980
 LMN  CAY   CAW   single  1.524  0.020  1.524
 LMN  CAW   HAW   single  0.970  0.020  1.090
 LMN  CAW   HAWA  single  0.970  0.020  1.090
 LMN  CAZ   CAX   single  1.524  0.020  1.524
 LMN  HAXA  CAX   single  0.970  0.020  1.090
 LMN  CAX   HAX   single  0.970  0.020  1.090
 LMN  HAYA  CAY   single  0.970  0.020  1.090
 LMN  CBA   CAY   single  1.523  0.020  1.523
 LMN  CAY   HAY   single  0.970  0.020  1.090
 LMN  HAZA  CAZ   single  0.970  0.020  1.090
 LMN  CAZ   CBB   single  1.523  0.020  1.523
 LMN  CAZ   HAZ   single  0.970  0.020  1.090
 LMN  HBA   CBA   single  0.970  0.020  1.090
 LMN  HBAA  CBA   single  0.970  0.020  1.090
 LMN  CBA   CBC   single  1.523  0.020  1.523
 LMN  CBD   CBB   single  1.524  0.020  1.524
 LMN  CBB   HBB   single  0.970  0.020  1.090
 LMN  CBB   HBBA  single  0.970  0.020  1.090
 LMN  CBE   CBC   single  1.524  0.020  1.524
 LMN  CBC   HBCA  single  0.970  0.020  1.090
 LMN  CBC   HBC   single  0.970  0.020  1.090
 LMN  HBD   CBD   single  0.970  0.020  1.090
 LMN  CBF   CBD   single  1.524  0.020  1.524
 LMN  CBD   HBDA  single  0.970  0.020  1.090
 LMN  HBE   CBE   single  0.970  0.020  1.090
 LMN  CBE   HBEA  single  0.970  0.020  1.090
 LMN  CBE   CBG   single  1.523  0.020  1.523
 LMN  HBFA  CBF   single  0.970  0.020  1.090
 LMN  CBH   CBF   single  1.524  0.020  1.524
 LMN  CBF   HBF   single  0.970  0.020  1.090
 LMN  CBI   CBG   single  1.522  0.020  1.522
 LMN  HBGA  CBG   single  0.970  0.020  1.090
 LMN  CBG   HBG   single  0.970  0.020  1.090
 LMN  HBHA  CBH   single  0.970  0.020  1.090
 LMN  HBH   CBH   single  0.970  0.020  1.090
 LMN  CBH   CBJ   single  1.523  0.020  1.523
 LMN  CBK   CBI   single  1.524  0.020  1.524
 LMN  HBI   CBI   single  0.970  0.020  1.090
 LMN  CBI   HBIA  single  0.970  0.020  1.090
 LMN  CBL   CBJ   single  1.525  0.020  1.525
 LMN  CBJ   HBJ   single  0.970  0.020  1.090
 LMN  CBJ   HBJA  single  0.970  0.020  1.090
 LMN  HBKA  CBK   single  0.970  0.020  1.090
 LMN  CBQ   CBK   single  1.525  0.020  1.525
 LMN  CBK   HBK   single  0.970  0.020  1.090
 LMN  HBL   CBL   single  0.970  0.020  1.090
 LMN  HBLA  CBL   single  0.970  0.020  1.090
 LMN  CBL   CBR   single  1.525  0.020  1.525
 LMN  CCC   CBM   single  1.514  0.020  1.514
 LMN  HBM   CBM   single  0.970  0.020  1.090
 LMN  CBM   HBMA  single  0.970  0.020  1.090
 LMN  HBNA  CBN   single  0.970  0.020  1.090
 LMN  CCD   CBN   single  1.514  0.020  1.514
 LMN  CBN   HBN   single  0.970  0.020  1.090
 LMN  CCF   CBP   single  1.513  0.020  1.513
 LMN  CBP   HBPA  single  0.970  0.020  1.090
 LMN  CBP   HBP   single  0.970  0.020  1.090
 LMN  CCM   CBQ   single  1.540  0.020  1.540
 LMN  HBQ   CBQ   single  0.970  0.020  1.090
 LMN  CBQ   HBQA  single  0.970  0.020  1.090
 LMN  HBRA  CBR   single  0.970  0.020  1.090
 LMN  CBR   HBR   single  0.970  0.020  1.090
 LMN  CBR   CCM   single  1.541  0.020  1.541
 LMN  HBS   CBS   single  0.970  0.020  1.090
 LMN  HBSA  CBS   single  0.970  0.020  1.090
 LMN  CBS   CCM   single  1.529  0.020  1.529
 LMN  OBV   CBT   single  1.417  0.020  1.417
 LMN  CCM   CBT   single  1.533  0.020  1.533
 LMN  CBT   HBT   single  0.970  0.020  1.090
 LMN  CBT   HBTA  single  0.970  0.020  1.090
 LMN  CCJ   OBV   single  1.378  0.020  1.378
 LMN  CCJ   OBX   single  1.402  0.020  1.402
 LMN  CCF   OBX   single  1.410  0.020  1.410
 LMN  CCR   OBY   single  1.393  0.020  1.393
 LMN  OBY   CCC   single  1.421  0.020  1.421
 LMN  CCS   OBZ   single  1.394  0.020  1.394
 LMN  OBZ   CCD   single  1.421  0.020  1.421
 LMN  CCS   OCB   single  1.399  0.020  1.399
 LMN  OCB   CCQ   single  1.411  0.020  1.411
 LMN  HCC   CCC   single  0.970  0.020  1.090
 LMN  CCC   CCN   single  1.529  0.020  1.529
 LMN  CCO   CCD   single  1.529  0.020  1.529
 LMN  CCD   HCD   single  0.970  0.020  1.090
 LMN  HCF   CCF   single  0.970  0.020  1.090
 LMN  CCF   CCQ   single  1.536  0.020  1.536
 LMN  HCH   CCH   single  0.970  0.020  1.090
 LMN  CCH   CCL   single  1.523  0.020  1.523
 LMN  CCH   CCQ   single  1.527  0.020  1.527
 LMN  HCJ   CCJ   single  0.970  0.020  1.090
 LMN  CCJ   CCL   single  1.527  0.020  1.527
 LMN  CCL   HCL   single  0.970  0.020  1.090
 LMN  CCT   CCN   single  1.524  0.020  1.524
 LMN  CCN   HCN   single  0.970  0.020  1.090
 LMN  CCU   CCO   single  1.524  0.020  1.524
 LMN  CCO   HCO   single  0.970  0.020  1.090
 LMN  CCQ   HCQ   single  0.970  0.020  1.090
 LMN  CCV   CCR   single  1.529  0.020  1.529
 LMN  CCR   HCR   single  0.970  0.020  1.090
 LMN  HCS   CCS   single  0.970  0.020  1.090
 LMN  CCW   CCS   single  1.529  0.020  1.529
 LMN  CCV   CCT   single  1.527  0.020  1.527
 LMN  CCT   HCT   single  0.970  0.020  1.090
 LMN  CCU   CCW   single  1.526  0.020  1.526
 LMN  CCU   HCU   single  0.970  0.020  1.090
 LMN  CCV   HCV   single  0.970  0.020  1.090
 LMN  CCW   HCW   single  0.970  0.020  1.090

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
 LMN  H1    C1   O5    109.49  3.000
 LMN  H1    C1   C2    109.07  3.000
 LMN  O5    C1   C2    109.62  3.000
 LMN  H1    C1   O1    110.69  3.000
 LMN  C2    C1   O1    108.81  3.000
 LMN  O5    C1   O1    109.15  3.000
 LMN  CBS   O1   C1    116.00  3.000
 LMN  H2    C2   C3    109.22  3.000
 LMN  C3    C2   O2    107.36  3.000
 LMN  H2    C2   O2    111.65  3.000
 LMN  O2    C2   C1    111.82  3.000
 LMN  C3    C2   C1    108.23  3.000
 LMN  H2    C2   C1    108.48  3.000
 LMN  HO2   O2   C2    108.65  3.000
 LMN  H3    C3   C4    107.63  3.000
 LMN  H3    C3   O3    110.38  3.000
 LMN  C4    C3   O3    107.91  3.000
 LMN  H3    C3   C2    107.91  3.000
 LMN  C4    C3   C2    111.00  3.000
 LMN  O3    C3   C2    111.93  3.000
 LMN  HO3   O3   C3    108.81  3.000
 LMN  H4    C4   C5    108.72  3.000
 LMN  H4    C4   O4    110.83  3.000
 LMN  C5    C4   O4    111.12  3.000
 LMN  O4    C4   C3    106.88  3.000
 LMN  H4    C4   C3    109.21  3.000
 LMN  C5    C4   C3    110.06  3.000
 LMN  CCR   O4   C4    120.22  3.000
 LMN  H5    C5   C6    108.94  3.000
 LMN  H5    C5   O5    110.05  3.000
 LMN  C6    C5   O5    107.73  3.000
 LMN  O5    C5   C4    109.27  3.000
 LMN  H5    C5   C4    108.44  3.000
 LMN  C6    C5   C4    112.39  3.000
 LMN  C5    O5   C1    113.02  3.000
 LMN  H6A   C6   H6    107.24  3.000
 LMN  H6    C6   O6    111.82  3.000
 LMN  H6A   C6   O6    111.34  3.000
 LMN  H6    C6   C5    108.89  3.000
 LMN  H6A   C6   C5    108.84  3.000
 LMN  O6    C6   C5    108.64  3.000
 LMN  HO6   O6   C6    107.83  3.000
 LMN  HAAB  CAA  HAAA  107.65  3.000
 LMN  HAAA  CAA  HAA   107.44  3.000
 LMN  HAAB  CAA  HAA   107.62  3.000
 LMN  HAAA  CAA  CAW   111.12  3.000
 LMN  HAA   CAA  CAW   111.08  3.000
 LMN  HAAB  CAA  CAW   111.74  3.000
 LMN  HABB  CAB  HABA  107.59  3.000
 LMN  HABA  CAB  HAB   107.44  3.000
 LMN  HABB  CAB  HAB   107.61  3.000
 LMN  HAB   CAB  CAX   111.26  3.000
 LMN  HABA  CAB  CAX   111.10  3.000
 LMN  HABB  CAB  CAX   111.64  3.000
 LMN  HOAN  OAN  CCH   108.90  3.000
 LMN  HOAP  OAP  CCL   108.08  3.000
 LMN  HOAQ  OAQ  CCN   108.19  3.000
 LMN  HOAR  OAR  CCO   107.98  3.000
 LMN  HOAS  OAS  CCT   108.18  3.000
 LMN  HOAT  OAT  CCU   108.12  3.000
 LMN  HOAU  OAU  CCV   110.13  3.000
 LMN  HOAV  OAV  CCW   109.64  3.000
 LMN  HAWA  CAW  HAW   106.02  3.000
 LMN  HAWA  CAW  CAY   109.24  3.000
 LMN  HAW   CAW  CAY   109.26  3.000
 LMN  HAWA  CAW  CAA   109.67  3.000
 LMN  HAW   CAW  CAA   109.64  3.000
 LMN  CAY   CAW  CAA   112.78  3.000
 LMN  HAXA  CAX  HAX   105.98  3.000
 LMN  HAX   CAX  CAZ   109.29  3.000
 LMN  HAXA  CAX  CAZ   109.28  3.000
 LMN  HAX   CAX  CAB   109.63  3.000
 LMN  HAXA  CAX  CAB   109.49  3.000
 LMN  CAZ   CAX  CAB   112.94  3.000
 LMN  HAYA  CAY  HAY   105.91  3.000
 LMN  HAY   CAY  CBA   109.36  3.000
 LMN  HAYA  CAY  CBA   109.35  3.000
 LMN  HAY   CAY  CAW   109.28  3.000
 LMN  CBA   CAY  CAW   113.44  3.000
 LMN  HAYA  CAY  CAW   109.23  3.000
 LMN  HAZA  CAZ  HAZ   105.93  3.000
 LMN  HAZ   CAZ  CBB   109.34  3.000
 LMN  HAZA  CAZ  CBB   109.37  3.000
 LMN  HAZ   CAZ  CAX   109.28  3.000
 LMN  CBB   CAZ  CAX   113.42  3.000
 LMN  HAZA  CAZ  CAX   109.23  3.000
 LMN  HBAA  CBA  HBA   105.97  3.000
 LMN  HBAA  CBA  CBC   109.33  3.000
 LMN  HBA   CBA  CBC   109.35  3.000
 LMN  CBC   CBA  CAY   113.18  3.000
 LMN  HBAA  CBA  CAY   109.38  3.000
 LMN  HBA   CBA  CAY   109.38  3.000
 LMN  HBBA  CBB  HBB   105.97  3.000
 LMN  HBBA  CBB  CBD   109.22  3.000
 LMN  HBB   CBB  CBD   109.41  3.000
 LMN  HBBA  CBB  CAZ   109.30  3.000
 LMN  HBB   CBB  CAZ   109.37  3.000
 LMN  CBD   CBB  CAZ   113.30  3.000
 LMN  HBCA  CBC  HBC   105.90  3.000
 LMN  HBC   CBC  CBE   109.33  3.000
 LMN  HBCA  CBC  CBE   109.26  3.000
 LMN  HBC   CBC  CBA   109.34  3.000
 LMN  HBCA  CBC  CBA   109.25  3.000
 LMN  CBE   CBC  CBA   113.48  3.000
 LMN  HBDA  CBD  HBD   105.95  3.000
 LMN  HBDA  CBD  CBF   109.36  3.000
 LMN  HBD   CBD  CBF   109.25  3.000
 LMN  HBDA  CBD  CBB   109.35  3.000
 LMN  CBF   CBD  CBB   113.40  3.000
 LMN  HBD   CBD  CBB   109.26  3.000
 LMN  HBEA  CBE  HBE   106.00  3.000
 LMN  HBEA  CBE  CBG   109.51  3.000
 LMN  HBE   CBE  CBG   109.26  3.000
 LMN  CBG   CBE  CBC   113.09  3.000
 LMN  HBEA  CBE  CBC   109.41  3.000
 LMN  HBE   CBE  CBC   109.33  3.000
 LMN  HBFA  CBF  HBF   105.98  3.000
 LMN  HBF   CBF  CBH   109.58  3.000
 LMN  HBFA  CBF  CBH   109.12  3.000
 LMN  HBF   CBF  CBD   109.40  3.000
 LMN  CBH   CBF  CBD   113.22  3.000
 LMN  HBFA  CBF  CBD   109.28  3.000
 LMN  HBGA  CBG  HBG   106.15  3.000
 LMN  HBG   CBG  CBI   109.40  3.000
 LMN  HBGA  CBG  CBI   108.73  3.000
 LMN  HBG   CBG  CBE   109.43  3.000
 LMN  HBGA  CBG  CBE   109.32  3.000
 LMN  CBI   CBG  CBE   113.53  3.000
 LMN  HBHA  CBH  HBH   105.95  3.000
 LMN  HBH   CBH  CBJ   109.08  3.000
 LMN  HBHA  CBH  CBJ   109.43  3.000
 LMN  CBJ   CBH  CBF   113.50  3.000
 LMN  HBH   CBH  CBF   109.14  3.000
 LMN  HBHA  CBH  CBF   109.46  3.000
 LMN  HBKA  CBK  HBK   106.76  3.000
 LMN  HBK   CBK  CBQ   110.77  3.000
 LMN  HBKA  CBK  CBQ   110.71  3.000
 LMN  HBK   CBK  CBI   108.59  3.000
 LMN  CBQ   CBK  CBI   111.54  3.000
 LMN  HBKA  CBK  CBI   108.32  3.000
 LMN  HBLA  CBL  HBL   106.11  3.000
 LMN  HBLA  CBL  CBR   110.58  3.000
 LMN  HBL   CBL  CBR   110.55  3.000
 LMN  CBR   CBL  CBJ   112.20  3.000
 LMN  HBLA  CBL  CBJ   109.05  3.000
 LMN  HBL   CBL  CBJ   108.13  3.000
 LMN  HBMA  CBM  HBM   107.09  3.000
 LMN  HBMA  CBM  CCC   108.97  3.000
 LMN  HBM   CBM  CCC   108.42  3.000
 LMN  HBMA  CBM  OAI   111.87  3.000
 LMN  HBM   CBM  OAI   111.63  3.000
 LMN  CCC   CBM  OAI   108.77  3.000
 LMN  HBNA  CBN  HBN   107.12  3.000
 LMN  HBN   CBN  CCD   108.50  3.000
 LMN  HBNA  CBN  CCD   108.85  3.000
 LMN  HBN   CBN  OAJ   111.57  3.000
 LMN  CCD   CBN  OAJ   108.78  3.000
 LMN  HBNA  CBN  OAJ   111.93  3.000
 LMN  HBPA  CBP  HBP   107.38  3.000
 LMN  HBP   CBP  CCF   109.52  3.000
 LMN  HBPA  CBP  CCF   108.78  3.000
 LMN  HBP   CBP  OAL   110.84  3.000
 LMN  HBPA  CBP  OAL   111.73  3.000
 LMN  CCF   CBP  OAL   108.56  3.000
 LMN  HBSA  CBS  HBS   106.55  3.000
 LMN  HBSA  CBS  CCM   109.56  3.000
 LMN  HBS   CBS  CCM   110.42  3.000
 LMN  CCM   CBS  O1    110.21  3.000
 LMN  HBSA  CBS  O1    110.01  3.000
 LMN  HBS   CBS  O1    110.03  3.000
 LMN  CCJ   OBV  CBT   116.55  3.000
 LMN  CCJ   OBX  CCF   114.35  3.000
 LMN  CCR   OBY  CCC   115.68  3.000
 LMN  CCS   OBZ  CCD   115.90  3.000
 LMN  CCS   OCB  CCQ   119.65  3.000
 LMN  HCC   CCC  CCN   108.62  3.000
 LMN  CCN   CCC  OBY   110.20  3.000
 LMN  HCC   CCC  OBY   110.26  3.000
 LMN  CCN   CCC  CBM   112.11  3.000
 LMN  HCC   CCC  CBM   108.61  3.000
 LMN  OBY   CCC  CBM   107.01  3.000
 LMN  HCD   CCD  CCO   108.84  3.000
 LMN  HCD   CCD  OBZ   110.35  3.000
 LMN  CCO   CCD  OBZ   110.18  3.000
 LMN  HCD   CCD  CBN   108.52  3.000
 LMN  CCO   CCD  CBN   112.03  3.000
 LMN  OBZ   CCD  CBN   106.89  3.000
 LMN  HCF   CCF  CCQ   107.62  3.000
 LMN  CCQ   CCF  OBX   109.46  3.000
 LMN  HCF   CCF  OBX   110.60  3.000
 LMN  CCQ   CCF  CBP   113.37  3.000
 LMN  HCF   CCF  CBP   108.28  3.000
 LMN  OBX   CCF  CBP   107.51  3.000
 LMN  HCH   CCH  CCQ   107.23  3.000
 LMN  CCQ   CCH  CCL   111.25  3.000
 LMN  HCH   CCH  CCL   107.08  3.000
 LMN  CCQ   CCH  OAN   108.31  3.000
 LMN  CCL   CCH  OAN   112.37  3.000
 LMN  HCH   CCH  OAN   110.49  3.000
 LMN  HCJ   CCJ  CCL   109.34  3.000
 LMN  CCL   CCJ  OBX   110.32  3.000
 LMN  HCJ   CCJ  OBX   109.79  3.000
 LMN  CCL   CCJ  OBV   107.50  3.000
 LMN  HCJ   CCJ  OBV   111.62  3.000
 LMN  OBX   CCJ  OBV   108.24  3.000
 LMN  HCL   CCL  CCJ   108.05  3.000
 LMN  HCL   CCL  CCH   108.76  3.000
 LMN  CCJ   CCL  CCH   107.92  3.000
 LMN  HCL   CCL  OAP   111.50  3.000
 LMN  CCJ   CCL  OAP   111.67  3.000
 LMN  CCH   CCL  OAP   108.84  3.000
 LMN  CBT   CCM  CBS   105.18  3.000
 LMN  CBT   CCM  CBR   111.25  3.000
 LMN  CBS   CCM  CBR   111.26  3.000
 LMN  CBT   CCM  CBQ   110.09  3.000
 LMN  CBS   CCM  CBQ   111.31  3.000
 LMN  CBR   CCM  CBQ   107.78  3.000
 LMN  HCN   CCN  CCT   108.00  3.000
 LMN  HCN   CCN  CCC   108.38  3.000
 LMN  CCT   CCN  CCC   109.79  3.000
 LMN  HCN   CCN  OAQ   111.04  3.000
 LMN  CCT   CCN  OAQ   111.80  3.000
 LMN  CCC   CCN  OAQ   107.77  3.000
 LMN  HCO   CCO  CCU   107.99  3.000
 LMN  HCO   CCO  CCD   108.29  3.000
 LMN  CCU   CCO  CCD   110.01  3.000
 LMN  HCO   CCO  OAR   110.88  3.000
 LMN  CCU   CCO  OAR   111.74  3.000
 LMN  CCD   CCO  OAR   107.89  3.000
 LMN  HCQ   CCQ  CCH   110.02  3.000
 LMN  HCQ   CCQ  CCF   109.69  3.000
 LMN  CCH   CCQ  CCF   108.65  3.000
 LMN  HCQ   CCQ  OCB   110.64  3.000
 LMN  CCH   CCQ  OCB   107.11  3.000
 LMN  CCF   CCQ  OCB   110.67  3.000
 LMN  HCR   CCR  CCV   110.02  3.000
 LMN  HCR   CCR  OBY   106.17  3.000
 LMN  CCV   CCR  OBY   109.98  3.000
 LMN  HCR   CCR  O4    110.65  3.000
 LMN  CCV   CCR  O4    108.61  3.000
 LMN  OBY   CCR  O4    111.40  3.000
 LMN  HCS   CCS  CCW   110.28  3.000
 LMN  CCW   CCS  OCB   108.40  3.000
 LMN  HCS   CCS  OCB   110.51  3.000
 LMN  CCW   CCS  OBZ   110.13  3.000
 LMN  HCS   CCS  OBZ   105.81  3.000
 LMN  OCB   CCS  OBZ   111.71  3.000
 LMN  HCT   CCT  CCV   109.33  3.000
 LMN  HCT   CCT  CCN   108.22  3.000
 LMN  CCV   CCT  CCN   109.66  3.000
 LMN  HCT   CCT  OAS   110.48  3.000
 LMN  CCV   CCT  OAS   111.58  3.000
 LMN  CCN   CCT  OAS   107.49  3.000
 LMN  HCU   CCU  CCW   109.24  3.000
 LMN  HCU   CCU  CCO   108.47  3.000
 LMN  CCW   CCU  CCO   109.77  3.000
 LMN  HCU   CCU  OAT   110.37  3.000
 LMN  CCW   CCU  OAT   111.59  3.000
 LMN  CCO   CCU  OAT   107.35  3.000
 LMN  HCV   CCV  CCT   107.95  3.000
 LMN  HCV   CCV  CCR   106.94  3.000
 LMN  CCT   CCV  CCR   109.78  3.000
 LMN  HCV   CCV  OAU   106.39  3.000
 LMN  CCT   CCV  OAU   112.57  3.000
 LMN  CCR   CCV  OAU   112.89  3.000
 LMN  HCW   CCW  CCU   108.06  3.000
 LMN  HCW   CCW  CCS   107.02  3.000
 LMN  CCU   CCW  CCS   109.62  3.000
 LMN  HCW   CCW  OAV   106.83  3.000
 LMN  CCU   CCW  OAV   112.36  3.000
 LMN  CCS   CCW  OAV   112.68  3.000
 LMN  HOAI  OAI  CBM   108.00  3.000
 LMN  HBQA  CBQ  HBQ   105.09  3.000
 LMN  HBQA  CBQ  CCM   108.68  3.000
 LMN  HBQ   CBQ  CCM   107.69  3.000
 LMN  HBQA  CBQ  CBK   108.79  3.000
 LMN  HBQ   CBQ  CBK   108.35  3.000
 LMN  CCM   CBQ  CBK   117.54  3.000
 LMN  HBRA  CBR  HBR   105.37  3.000
 LMN  HBR   CBR  CCM   108.21  3.000
 LMN  HBRA  CBR  CCM   108.03  3.000
 LMN  CCM   CBR  CBL   117.04  3.000
 LMN  HBR   CBR  CBL   108.98  3.000
 LMN  HBRA  CBR  CBL   108.59  3.000
 LMN  HBTA  CBT  HBT   106.71  3.000
 LMN  HBTA  CBT  CCM   110.63  3.000
 LMN  HBT   CBT  CCM   109.17  3.000
 LMN  HBTA  CBT  OBV   108.98  3.000
 LMN  HBT   CBT  OBV   111.13  3.000
 LMN  CCM   CBT  OBV   110.17  3.000
 LMN  HOAL  OAL  CBP   107.98  3.000
 LMN  HBIA  CBI  HBI   106.19  3.000
 LMN  HBIA  CBI  CBK   109.77  3.000
 LMN  HBI   CBI  CBK   108.83  3.000
 LMN  HBIA  CBI  CBG   109.44  3.000
 LMN  HBI   CBI  CBG   109.36  3.000
 LMN  CBK   CBI  CBG   113.03  3.000
 LMN  HBJA  CBJ  HBJ   106.03  3.000
 LMN  HBJA  CBJ  CBL   108.87  3.000
 LMN  HBJ   CBJ  CBL   109.84  3.000
 LMN  HBJA  CBJ  CBH   109.30  3.000
 LMN  HBJ   CBJ  CBH   109.58  3.000
 LMN  CBL   CBJ  CBH   112.99  3.000
 LMN  HOAJ  OAJ  CBN   108.04  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
 LMN  Var_01  CCM   CBS  O1   C1    147.33  30.0  3
 LMN  Var_02  CCM   CBT  OBV  CCJ  -141.45  30.0  3
 LMN  Var_03  CBQ   CCM  CBS  O1    -53.64  30.0  3
 LMN  Var_04  CBA   CAY  CAW  CAA  -179.97  30.0  1
 LMN  Var_05  CBB   CAZ  CAX  CAB  -179.97  30.0  1
 LMN  Var_06  CBC   CBA  CAY  CAW  -179.95  30.0  2
 LMN  Var_07  CBD   CBB  CAZ  CAX   179.51  30.0  3
 LMN  Var_08  CBE   CBC  CBA  CAY  -179.90  30.0  3
 LMN  Var_09  CBF   CBD  CBB  CAZ  -179.71  30.0  1
 LMN  Var_10  CBG   CBE  CBC  CBA  -179.76  30.0  2
 LMN  Var_11  CBH   CBF  CBD  CBB   178.39  30.0  2
 LMN  Var_12  CBI   CBG  CBE  CBC   179.54  30.0  3
 LMN  Var_13  CBJ   CBH  CBF  CBD  -179.18  30.0  1
 LMN  Var_14  CBK   CBI  CBG  CBE  -177.83  30.0  2
 LMN  Var_15  CBL   CBJ  CBH  CBF   175.53  30.0  3
 LMN  Var_16  CBQ   CBK  CBI  CBG  -178.67  30.0  1
 LMN  Var_17  CBR   CBL  CBJ  CBH  -178.98  30.0  1
 LMN  Var_18  CCM   CBQ  CBK  CBI  -172.93  30.0  2
 LMN  Var_19  CCM   CBR  CBL  CBJ   171.58  30.0  3
 LMN  Var_20  OBV   CBT  CCM  CBQ    65.18  30.0  3
 LMN  Var_21  HAAB  CAA  CAW  CAY   179.93  30.0  3
 LMN  Var_22  HABB  CAB  CAX  CAZ   179.44  30.0  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
 LMN  chir_01  C1   O5   C2   O1   negativ
 LMN  chir_02  C2   O2   C1   C3   positiv
 LMN  chir_03  C3   O3   C2   C4   negativ
 LMN  chir_04  C4   O4   C5   C3   negativ
 LMN  chir_05  C5   O5   C4   C6   positiv
 LMN  chir_06  CCC  OBY  CBM  CCN  negativ
 LMN  chir_07  CCD  CBN  OBZ  CCO  positiv
 LMN  chir_08  CCF  OBX  CBP  CCQ  negativ
 LMN  chir_09  CCH  OAN  CCQ  CCL  positiv
 LMN  chir_10  CCJ  OBV  OBX  CCL  negativ
 LMN  chir_11  CCL  OAP  CCJ  CCH  negativ
 LMN  chir_12  CCN  OAQ  CCC  CCT  negativ
 LMN  chir_13  CCO  OAR  CCD  CCU  negativ
 LMN  chir_14  CCQ  OCB  CCF  CCH  negativ
 LMN  chir_15  CCR  O4   OBY  CCV  positiv
 LMN  chir_16  CCS  OBZ  OCB  CCW  negativ
 LMN  chir_17  CCT  OAS  CCN  CCV  positiv
 LMN  chir_18  CCU  OAT  CCO  CCW  positiv
 LMN  chir_19  CCV  OAU  CCR  CCT  positiv
 LMN  chir_20  CCW  OAV  CCS  CCU  positiv

