# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Mar 20 09:53:17 2022
#   Inital geometry file: a 169 line input string
#   Ligand name: dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCCCCCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
#
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
 LMO  LMO  'dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside'  saccharide  81  35  .  2023-02-15  2023-02-15
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_LMO
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
 LMO  C13   C  CH2   0  -0.233  -27.4818  47.0073   -6.1798
 LMO  C17   C  CH1   0  -0.018  -25.1700  44.7895   -8.3494
 LMO  C24   C  CH2   0  -0.508  -27.3336  48.3424  -11.4046
 LMO  C26   C  CH2   0  -0.419  -29.6082  47.1486  -11.2711
 LMO  C28   C  CH2   0  -0.430  -30.1067  44.6386  -11.5797
 LMO  C14   C  CH1   0  -0.021  -26.8365  46.3866   -7.4042
 LMO  C16   C  CH1   0   0.014  -25.8198  45.2909   -7.0665
 LMO  C18   C  CH1   0   0.303  -25.7105  46.9587   -9.3878
 LMO  C19   C  CH1   0   0.010  -24.5913  45.9494   -9.1555
 LMO  C25   C  CH2   0  -0.461  -28.6102  48.0874  -10.5988
 LMO  C27   C  CH2   0  -0.457  -29.0522  45.7385  -11.4862
 LMO  C29   C  CH2   0  -0.437  -30.9395  44.4299  -10.3137
 LMO  C30   C  CH2   0  -0.463  -30.1314  44.2456   -9.0306
 LMO  C31   C  CH2   0  -0.449  -29.1118  43.1091   -9.0599
 LMO  C32   C  CH2   0  -0.425  -29.7035  41.7259   -9.3275
 LMO  C33   C  CH2   0  -0.430  -30.7772  41.2804   -8.3374
 LMO  C34   C  CH3   0  -0.664  -30.2996  41.2343   -6.8920
 LMO  O08   O  O2    0  -0.498  -26.5306  47.3859   -5.2092
 LMO  O15   O  O2    0  -0.507  -26.1975  47.4054   -8.1452
 LMO  O20   O  OH1   0  -0.672  -26.4388  44.1878   -6.4428
 LMO  O21   O  OH1   0  -0.666  -24.1148  45.5236  -10.4044
 LMO  O22   O  O2    0  -0.494  -25.2302  48.0350  -10.0901
 LMO  O35   O  OH1   0  -0.668  -24.1170  43.8915   -8.0938
 LMO  C04   C  CH1   0   0.259  -26.1404  48.7221   -5.1782
 LMO  C03   C  CH1   0   0.016  -24.7162  48.7995   -4.6255
 LMO  C02   C  CH1   0   0.002  -24.7046  48.3894   -3.1574
 LMO  C01   C  CH1   0  -0.032  -25.6887  49.2546   -2.3679
 LMO  C06   C  CH1   0  -0.006  -27.0653  49.1348   -3.0255
 LMO  C11   C  CH2   0  -0.170  -28.1055  50.0112   -2.3612
 LMO  O10   O  OH1   0  -0.665  -23.8858  47.9911   -5.4184
 LMO  O09   O  OH1   0  -0.669  -23.3798  48.5007   -2.6963
 LMO  O07   O  OH1   0  -0.668  -25.2090  50.5781   -2.3490
 LMO  O05   O  O2    0  -0.497  -27.0062  49.4946   -4.3973
 LMO  O12   O  OH1   0  -0.665  -29.3750  49.6713   -2.8659
 LMO  H131  H  HCH2  0   0.243  -28.1117  47.8500   -6.4862
 LMO  H132  H  HCH2  0   0.244  -28.1451  46.2700   -5.7215
 LMO  H171  H  HCH1  0   0.213  -25.9510  44.3102   -8.9642
 LMO  H241  H  HCH2  0   0.243  -26.9763  47.4292  -11.8903
 LMO  H242  H  HCH2  0   0.245  -27.5765  49.0243  -12.2242
 LMO  H262  H  HCH2  0   0.214  -29.9369  47.5654  -12.2285
 LMO  H261  H  HCH2  0   0.224  -30.5016  47.1076  -10.6417
 LMO  H281  H  HCH2  0   0.218  -30.7840  44.8504  -12.4136
 LMO  H282  H  HCH2  0   0.219  -29.6060  43.7013  -11.8410
 LMO  H141  H  HCH1  0   0.235  -27.6500  45.9408   -8.0021
 LMO  H161  H  HCH1  0   0.232  -25.0392  45.7221   -6.4287
 LMO  H181  H  HCH1  0   0.193  -26.5236  46.4500   -9.9346
 LMO  H191  H  HCH1  0   0.211  -23.8003  46.4363   -8.5623
 LMO  H232  H  HCH2  0   0.233  -25.6013  49.6207  -11.2420
 LMO  H231  H  HCH2  0   0.211  -26.5922  49.5786   -9.7916
 LMO  H252  H  HCH2  0   0.229  -29.0900  49.0495  -10.3973
 LMO  H251  H  HCH2  0   0.233  -28.3684  47.6746   -9.6159
 LMO  H271  H  HCH2  0   0.225  -28.3561  45.5000  -10.6743
 LMO  H272  H  HCH2  0   0.225  -28.4469  45.7178  -12.3964
 LMO  H291  H  HCH2  0   0.219  -31.6190  45.2754  -10.1729
 LMO  H292  H  HCH2  0   0.222  -31.5898  43.5631  -10.4681
 LMO  H302  H  HCH2  0   0.224  -30.8276  44.0889   -8.2012
 LMO  H301  H  HCH2  0   0.232  -29.6094  45.1780   -8.7932
 LMO  H312  H  HCH2  0   0.218  -28.5688  43.1034   -8.1104
 LMO  H311  H  HCH2  0   0.223  -28.3526  43.3129   -9.8213
 LMO  H322  H  HCH2  0   0.218  -30.1196  41.6977  -10.3393
 LMO  H321  H  HCH2  0   0.215  -28.8893  40.9938   -9.3206
 LMO  H331  H  HCH2  0   0.213  -31.6488  41.9376   -8.4118
 LMO  H332  H  HCH2  0   0.220  -31.1296  40.2878   -8.6309
 LMO  H343  H  HCH3  0   0.225  -31.0687  40.8270   -6.2347
 LMO  H342  H  HCH3  0   0.214  -29.4122  40.6059   -6.7906
 LMO  H341  H  HCH3  0   0.219  -30.0437  42.2259   -6.5158
 LMO  H201  H  HOH1  0   0.459  -26.4666  44.3366   -5.4933
 LMO  H211  H  HOH1  0   0.450  -23.4850  44.8102  -10.2558
 LMO  H351  H  HOH1  0   0.452  -24.4881  43.0860   -7.7199
 LMO  H041  H  HCH1  0   0.240  -26.1770  49.1691   -6.1771
 LMO  H031  H  HCH1  0   0.221  -24.4096  49.8528   -4.6970
 LMO  H021  H  HCH1  0   0.224  -25.0532  47.3501   -3.0812
 LMO  H011  H  HCH1  0   0.232  -25.7688  48.8486   -1.3490
 LMO  H061  H  HCH1  0   0.222  -27.3903  48.0907   -2.9141
 LMO  H111  H  HCH2  0   0.202  -28.0429  49.8440   -1.2770
 LMO  H112  H  HCH2  0   0.200  -27.8697  51.0679   -2.5394
 LMO  H101  H  HOH1  0   0.449  -22.9950  48.0405   -5.0563
 LMO  H091  H  HOH1  0   0.454  -23.2917  47.9876   -1.8873
 LMO  H071  H  HOH1  0   0.456  -25.5980  51.0420   -1.6024
 LMO  H121  H  HOH1  0   0.453  -30.0214  50.2651   -2.4743
 LMO  C23   C  CH2   0  -0.173  -26.1879  48.9614  -10.6022

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
 LMO  C28  C27   single  1.527  0.020  1.527
 LMO  C28  C29   single  1.530  0.020  1.530
 LMO  C32  C31   single  1.528  0.020  1.528
 LMO  C32  C33   single  1.527  0.020  1.527
 LMO  C26  C27   single  1.531  0.020  1.531
 LMO  C26  C25   single  1.526  0.020  1.526
 LMO  C31  C30   single  1.527  0.020  1.527
 LMO  C29  C30   single  1.528  0.020  1.528
 LMO  C24  C25   single  1.531  0.020  1.531
 LMO  C24  C23   single  1.530  0.020  1.530
 LMO  C33  C34   single  1.523  0.020  1.523
 LMO  C23  O22   single  1.428  0.020  1.428
 LMO  O21  C19   single  1.403  0.020  1.403
 LMO  O22  C18   single  1.372  0.020  1.372
 LMO  C18  C19   single  1.525  0.020  1.525
 LMO  C18  O15   single  1.407  0.020  1.407
 LMO  C19  C17   single  1.526  0.020  1.526
 LMO  C17  O35   single  1.407  0.020  1.407
 LMO  C17  C16   single  1.523  0.020  1.523
 LMO  O15  C14   single  1.413  0.020  1.413
 LMO  C16  C14   single  1.532  0.020  1.532
 LMO  C16  O20   single  1.410  0.020  1.410
 LMO  C14  C13   single  1.517  0.020  1.517
 LMO  O10  C03   single  1.404  0.020  1.404
 LMO  C04  C03   single  1.530  0.020  1.530
 LMO  C04  O05   single  1.399  0.020  1.399
 LMO  C04  O08   single  1.392  0.020  1.392
 LMO  C03  C02   single  1.524  0.020  1.524
 LMO  C13  O08   single  1.411  0.020  1.411
 LMO  O05  C06   single  1.419  0.020  1.419
 LMO  O07  C01   single  1.408  0.020  1.408
 LMO  C02  O09   single  1.407  0.020  1.407
 LMO  C02  C01   single  1.530  0.020  1.530
 LMO  C06  C11   single  1.514  0.020  1.514
 LMO  C06  C01   single  1.530  0.020  1.530
 LMO  C11  O12   single  1.408  0.020  1.408
 LMO  C13  H131  single  0.970  0.020  1.090
 LMO  C13  H132  single  0.970  0.020  1.090
 LMO  C17  H171  single  0.970  0.020  1.090
 LMO  C24  H241  single  0.970  0.020  1.090
 LMO  C24  H242  single  0.970  0.020  1.090
 LMO  C26  H262  single  0.970  0.020  1.090
 LMO  C26  H261  single  0.970  0.020  1.090
 LMO  C28  H281  single  0.970  0.020  1.090
 LMO  C28  H282  single  0.970  0.020  1.090
 LMO  C01  H011  single  0.970  0.020  1.090
 LMO  C02  H021  single  0.970  0.020  1.090
 LMO  C03  H031  single  0.970  0.020  1.090
 LMO  C04  H041  single  0.970  0.020  1.090
 LMO  C06  H061  single  0.970  0.020  1.090
 LMO  C11  H111  single  0.970  0.020  1.090
 LMO  C11  H112  single  0.970  0.020  1.090
 LMO  C14  H141  single  0.970  0.020  1.090
 LMO  C16  H161  single  0.970  0.020  1.090
 LMO  C18  H181  single  0.970  0.020  1.090
 LMO  C19  H191  single  0.970  0.020  1.090
 LMO  C23  H232  single  0.970  0.020  1.090
 LMO  C23  H231  single  0.970  0.020  1.090
 LMO  C25  H252  single  0.970  0.020  1.090
 LMO  C25  H251  single  0.970  0.020  1.090
 LMO  C27  H271  single  0.970  0.020  1.090
 LMO  C27  H272  single  0.970  0.020  1.090
 LMO  C29  H291  single  0.970  0.020  1.090
 LMO  C29  H292  single  0.970  0.020  1.090
 LMO  C30  H302  single  0.970  0.020  1.090
 LMO  C30  H301  single  0.970  0.020  1.090
 LMO  C31  H312  single  0.970  0.020  1.090
 LMO  C31  H311  single  0.970  0.020  1.090
 LMO  C32  H322  single  0.970  0.020  1.090
 LMO  C32  H321  single  0.970  0.020  1.090
 LMO  C33  H331  single  0.970  0.020  1.090
 LMO  C33  H332  single  0.970  0.020  1.090
 LMO  C34  H343  single  0.970  0.020  1.090
 LMO  C34  H342  single  0.970  0.020  1.090
 LMO  C34  H341  single  0.970  0.020  1.090
 LMO  O07  H071  single  0.850  0.020  0.980
 LMO  O09  H091  single  0.850  0.020  0.980
 LMO  O10  H101  single  0.850  0.020  0.980
 LMO  O12  H121  single  0.850  0.020  0.980
 LMO  O20  H201  single  0.850  0.020  0.980
 LMO  O21  H211  single  0.850  0.020  0.980
 LMO  O35  H351  single  0.850  0.020  0.980

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
 LMO  H132  C13  H131  106.69  3.000
 LMO  H132  C13  O08   107.57  3.000
 LMO  H131  C13  O08   111.94  3.000
 LMO  H132  C13  C14   108.71  3.000
 LMO  H131  C13  C14   109.48  3.000
 LMO  O08   C13  C14   112.23  3.000
 LMO  H171  C17  O35   110.71  3.000
 LMO  H171  C17  C19   107.71  3.000
 LMO  O35   C17  C19   107.29  3.000
 LMO  H171  C17  C16   108.08  3.000
 LMO  O35   C17  C16   112.11  3.000
 LMO  C19   C17  C16   110.88  3.000
 LMO  H242  C24  H241  105.09  3.000
 LMO  H242  C24  C25   108.25  3.000
 LMO  H241  C24  C25   111.52  3.000
 LMO  H242  C24  C23   107.90  3.000
 LMO  H241  C24  C23   109.02  3.000
 LMO  C25   C24  C23   114.57  3.000
 LMO  H261  C26  H262  105.80  3.000
 LMO  H261  C26  C27   110.06  3.000
 LMO  H262  C26  C27   109.68  3.000
 LMO  H261  C26  C25   107.69  3.000
 LMO  H262  C26  C25   110.33  3.000
 LMO  C27   C26  C25   113.01  3.000
 LMO  H282  C28  H281  105.48  3.000
 LMO  H282  C28  C29   109.26  3.000
 LMO  H281  C28  C29   108.66  3.000
 LMO  H282  C28  C27   108.40  3.000
 LMO  H281  C28  C27   109.55  3.000
 LMO  C29   C28  C27   115.07  3.000
 LMO  H141  C14  O15   109.91  3.000
 LMO  H141  C14  C16   108.64  3.000
 LMO  O15   C14  C16   109.34  3.000
 LMO  H141  C14  C13   106.80  3.000
 LMO  C16   C14  C13   113.39  3.000
 LMO  O15   C14  C13   108.71  3.000
 LMO  H161  C16  O20   111.27  3.000
 LMO  H161  C16  C14   108.62  3.000
 LMO  O20   C16  C14   111.44  3.000
 LMO  H161  C16  C17   108.40  3.000
 LMO  O20   C16  C17   107.60  3.000
 LMO  C14   C16  C17   109.44  3.000
 LMO  H181  C18  O22   111.45  3.000
 LMO  H181  C18  O15   109.18  3.000
 LMO  O22   C18  O15   108.91  3.000
 LMO  H181  C18  C19   108.12  3.000
 LMO  O15   C18  C19   109.24  3.000
 LMO  O22   C18  C19   109.90  3.000
 LMO  H191  C19  O21   111.68  3.000
 LMO  H191  C19  C18   108.45  3.000
 LMO  O21   C19  C18   108.34  3.000
 LMO  H191  C19  C17   108.88  3.000
 LMO  C18   C19  C17   107.77  3.000
 LMO  O21   C19  C17   111.61  3.000
 LMO  H251  C25  H252  105.28  3.000
 LMO  H251  C25  C26   107.96  3.000
 LMO  H252  C25  C26   109.60  3.000
 LMO  H251  C25  C24   110.60  3.000
 LMO  H252  C25  C24   108.43  3.000
 LMO  C26   C25  C24   114.58  3.000
 LMO  H272  C27  H271  105.13  3.000
 LMO  H272  C27  C28   108.53  3.000
 LMO  H271  C27  C28   109.11  3.000
 LMO  H272  C27  C26   109.60  3.000
 LMO  H271  C27  C26   109.10  3.000
 LMO  C28   C27  C26   114.92  3.000
 LMO  H292  C29  H291  105.14  3.000
 LMO  H292  C29  C30   109.71  3.000
 LMO  H291  C29  C30   108.29  3.000
 LMO  H292  C29  C28   108.35  3.000
 LMO  H291  C29  C28   109.83  3.000
 LMO  C30   C29  C28   115.07  3.000
 LMO  H301  C30  H302  105.13  3.000
 LMO  H301  C30  C31   108.64  3.000
 LMO  H302  C30  C31   109.44  3.000
 LMO  H301  C30  C29   109.37  3.000
 LMO  H302  C30  C29   108.51  3.000
 LMO  C31   C30  C29   115.27  3.000
 LMO  H311  C31  H312  105.10  3.000
 LMO  H311  C31  C32   108.38  3.000
 LMO  H312  C31  C32   109.85  3.000
 LMO  H311  C31  C30   109.75  3.000
 LMO  H312  C31  C30   108.58  3.000
 LMO  C32   C31  C30   114.74  3.000
 LMO  H321  C32  H322  105.75  3.000
 LMO  H321  C32  C33   108.89  3.000
 LMO  H322  C32  C33   108.94  3.000
 LMO  H321  C32  C31   108.43  3.000
 LMO  H322  C32  C31   109.42  3.000
 LMO  C33   C32  C31   115.01  3.000
 LMO  H332  C33  H331  105.68  3.000
 LMO  H332  C33  C34   109.17  3.000
 LMO  H331  C33  C34   109.42  3.000
 LMO  H332  C33  C32   108.51  3.000
 LMO  H331  C33  C32   109.93  3.000
 LMO  C34   C33  C32   113.81  3.000
 LMO  H341  C34  H342  107.48  3.000
 LMO  H341  C34  H343  107.28  3.000
 LMO  H342  C34  H343  107.59  3.000
 LMO  H341  C34  C33   111.92  3.000
 LMO  H342  C34  C33   111.12  3.000
 LMO  H343  C34  C33   111.23  3.000
 LMO  C04   O08  C13   117.50  3.000
 LMO  C18   O15  C14   113.01  3.000
 LMO  H201  O20  C16   109.17  3.000
 LMO  H211  O21  C19   108.03  3.000
 LMO  C23   O22  C18   117.25  3.000
 LMO  H351  O35  C17   108.43  3.000
 LMO  H041  C04  O05   105.26  3.000
 LMO  H041  C04  C03   109.89  3.000
 LMO  O05   C04  C03   110.28  3.000
 LMO  H041  C04  O08   111.23  3.000
 LMO  O05   C04  O08   111.65  3.000
 LMO  C03   C04  O08   108.51  3.000
 LMO  H031  C03  O10   110.48  3.000
 LMO  H031  C03  C02   108.56  3.000
 LMO  O10   C03  C02   112.61  3.000
 LMO  H031  C03  C04   106.53  3.000
 LMO  C02   C03  C04   109.97  3.000
 LMO  O10   C03  C04   108.51  3.000
 LMO  H021  C02  O09   110.54  3.000
 LMO  H021  C02  C01   107.16  3.000
 LMO  O09   C02  C01   113.06  3.000
 LMO  H021  C02  C03   108.59  3.000
 LMO  C01   C02  C03   109.88  3.000
 LMO  O09   C02  C03   107.55  3.000
 LMO  H011  C01  O07   111.07  3.000
 LMO  H011  C01  C06   107.68  3.000
 LMO  O07   C01  C06   112.70  3.000
 LMO  H011  C01  C02   108.43  3.000
 LMO  C06   C01  C02   108.22  3.000
 LMO  O07   C01  C02   108.62  3.000
 LMO  H061  C06  O05   110.55  3.000
 LMO  H061  C06  C11   107.60  3.000
 LMO  O05   C06  C11   107.82  3.000
 LMO  H061  C06  C01   107.26  3.000
 LMO  C11   C06  C01   112.60  3.000
 LMO  O05   C06  C01   110.97  3.000
 LMO  H112  C11  H111  107.13  3.000
 LMO  H112  C11  O12   111.59  3.000
 LMO  H111  C11  O12   111.61  3.000
 LMO  H112  C11  C06   109.80  3.000
 LMO  H111  C11  C06   107.81  3.000
 LMO  O12   C11  C06   108.82  3.000
 LMO  H101  O10  C03   107.77  3.000
 LMO  H091  O09  C02   108.63  3.000
 LMO  H071  O07  C01   109.03  3.000
 LMO  C06   O05  C04   115.18  3.000
 LMO  H121  O12  C11   108.14  3.000
 LMO  H231  C23  H232  106.98  3.000
 LMO  H231  C23  O22   110.34  3.000
 LMO  H232  C23  O22   104.01  3.000
 LMO  H231  C23  C24   109.85  3.000
 LMO  H232  C23  C24   109.87  3.000
 LMO  O22   C23  C24   115.35  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
 LMO  Var_01  H131  C13  O08  C04   -25.40  30.0  2
 LMO  Var_02  C27   C26  C25  C24    62.55  30.0  2
 LMO  Var_03  C29   C28  C27  C26   -63.48  30.0  2
 LMO  Var_04  C23   C24  C25  C26  -164.47  30.0  2
 LMO  Var_05  C25   C26  C27  C28   155.10  30.0  2
 LMO  Var_06  C31   C30  C29  C28   -55.95  30.0  3
 LMO  Var_07  O22   C23  C24  C25    95.90  30.0  3
 LMO  Var_08  C30   C29  C28  C27   -51.62  30.0  3
 LMO  Var_09  C32   C31  C30  C29   -59.13  30.0  2
 LMO  Var_10  C33   C32  C31  C30   -57.54  30.0  1
 LMO  Var_11  C34   C33  C32  C31   -58.68  30.0  3
 LMO  Var_12  H343  C34  C33  C32  -174.90  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
 LMO  chir_01  C17  C19  O35  C16  negativ
 LMO  chir_02  C14  O15  C13  C16  positiv
 LMO  chir_03  C16  O20  C14  C17  positiv
 LMO  chir_04  C18  O22  O15  C19  positiv
 LMO  chir_05  C19  O21  C18  C17  negativ
 LMO  chir_06  C04  O05  O08  C03  positiv
 LMO  chir_07  C03  O10  C04  C02  negativ
 LMO  chir_08  C02  O09  C03  C01  positiv
 LMO  chir_09  C01  O07  C02  C06  positiv
 LMO  chir_10  C06  O05  C01  C11  negativ

