data_str_m2_o334_tbo.ed
_audit_creation_date              2014-07-30T16:41:03-0400
_symmetry_space_group_name_H-M    P1
_symmetry_Int_Tables_number       1
_space_group_crystal_system       triclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
_cell_length_a                    22.4104746
_cell_length_b                    22.5155926
_cell_length_c                    22.2740430
_cell_angle_alpha                 100.141171
_cell_angle_beta                  64.2652164
_cell_angle_gamma                 66.7532042
_cell_volume                      8443.06703385

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_description
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_type_partial_charge
O1    O     O_R   0.409230 0.597221 0.605866 -0.269651
O2    O     O_R   0.497737 0.501472 0.607699 -0.275245
C1    C     C_R   0.436367 0.566125 0.640686 0.255950
O3    O     O_R   0.392405 0.501977 0.529520 -0.272034
O4    O     O_R   0.489807 0.405332 0.521497 -0.274148
C2    C     C_R   0.419846 0.440821 0.533923 0.256763
Cu1   Cu    Cu3+1 0.450576 0.548966 0.502467 0.394062
Cu2   Cu    Cu3+1 0.558865 0.441964 0.502590 0.361181
O5    O     O_R   0.510441 0.488178 0.397882 -0.272883
O6    O     O_R   0.602080 0.394082 0.398595 -0.272034
O7    O     O_R   0.520365 0.584857 0.481295 -0.269129
O8    O     O_R   0.615715 0.490435 0.477837 -0.277120
C3    C     C_R   0.573117 0.423983 0.364492 0.256548
C4    C     C_R   0.589146 0.550646 0.470957 0.256714
H1    H     H_    0.485326 0.845216 0.918442 0.132144
C5    C     C_R   0.551158 0.893204 0.877257 0.023724
C6    C     C_R   0.564550 0.931207 0.835898 -0.082079
H2    H     H_    0.607050 0.945793 0.827981 0.129993
C7    C     C_R   0.521484 0.952927 0.806164 -0.092425
H3    H     H_    0.531570 0.983283 0.774524 0.105981
C8    C     C_R   0.464708 0.937147 0.818414 -0.015194
C9    C     C_R   0.453461 0.897433 0.857984 -0.091739
H4    H     H_    0.412527 0.880979 0.864977 0.123166
C10   C     C_R   0.496037 0.875922 0.887459 -0.082762
C11   C     C_R   0.344967 0.973130 0.822830 -0.074032
H5    H     H_    0.315256 0.990065 0.881516 0.137827
C12   C     C_R   0.311599 0.959575 0.787029 0.000748
C13   C     C_R   0.351337 0.940622 0.711004 -0.076474
H6    H     H_    0.327114 0.928857 0.681250 0.138615
C14   C     C_R   0.425405 0.932438 0.673216 0.004164
C15   C     C_R   0.460042 0.937104 0.710917 -0.070910
H7    H     H_    0.520352 0.921995 0.682845 0.139656
C16   C     C_R   0.421043 0.954805 0.784497 -0.034462
H8    H     H_    0.044554 0.776629 0.944053 0.127216
C17   C     C_R   0.997658 0.872261 0.032963 0.021584
C18   C     C_R   0.941306 0.914934 0.112166 -0.084126
H9    H     H_    0.937164 0.962647 0.139069 0.124744
C19   C     C_R   0.887009 0.898757 0.151552 -0.089730
H10   H     H_    0.839578 0.935276 0.207866 0.106801
C20   C     C_R   0.889006 0.839956 0.116984 -0.015253
C21   C     C_R   0.949047 0.794749 0.043794 -0.095343
H11   H     H_    0.950926 0.748575 0.016699 0.108892
C22   C     C_R   0.001735 0.811128 0.001848 -0.087665
C23   C     C_R   0.775739 0.840837 0.218375 -0.077915
H12   H     H_    0.797095 0.843935 0.253252 0.130470
C24   C     C_R   0.706091 0.841499 0.243374 0.001332
C25   C     C_R   0.678823 0.840524 0.198011 -0.072795
H13   H     H_    0.623861 0.843757 0.217146 0.152569
C26   C     C_R   0.719992 0.839208 0.129510 0.001669
C27   C     C_R   0.789253 0.835845 0.105176 -0.075436
H14   H     H_    0.820258 0.836377 0.052523 0.141350
C28   C     C_R   0.818088 0.836487 0.148089 -0.034323
H15   H     H_    0.386182 0.064446 0.170286 0.129332
C29   C     C_R   0.489023 0.070028 0.122550 0.024382
C30   C     C_R   0.517640 0.114036 0.113506 -0.082559
H16   H     H_    0.579697 0.093114 0.082824 0.130063
C31   C     C_R   0.467280 0.185941 0.143565 -0.092030
H17   H     H_    0.491418 0.219288 0.137353 0.119578
C32   C     C_R   0.387669 0.214787 0.182220 -0.015102
C33   C     C_R   0.358496 0.171165 0.193650 -0.092428
H18   H     H_    0.296168 0.193268 0.224553 0.105914
C34   C     C_R   0.409325 0.098533 0.163557 -0.082176
C35   C     C_R   0.279630 0.327095 0.288539 -0.071148
H19   H     H_    0.266065 0.295381 0.316787 0.139982
C36   C     C_R   0.246014 0.399353 0.325635 0.004132
C37   C     C_R   0.275928 0.435153 0.287781 -0.076969
H20   H     H_    0.256761 0.489475 0.317170 0.138065
C38   C     C_R   0.334516 0.398131 0.212194 0.002208
C39   C     C_R   0.358055 0.328699 0.176757 -0.073686
H21   H     H_    0.400863 0.299073 0.118263 0.138316
C40   C     C_R   0.336763 0.291951 0.215376 -0.034918
H22   H     H_    0.670380 0.430404 0.862799 0.117647
C41   C     C_R   0.660961 0.472058 0.962916 0.021532
C42   C     C_R   0.691794 0.498175 0.993992 -0.084605
H23   H     H_    0.669128 0.512261 0.051586 0.128477
C43   C     C_R   0.750592 0.508211 0.952190 -0.094423
H24   H     H_    0.770602 0.532771 0.978801 0.110367
C44   C     C_R   0.777431 0.495060 0.879457 -0.015336
C45   C     C_R   0.750354 0.464355 0.846948 -0.088750
H25   H     H_    0.768518 0.455843 0.791018 0.106298
C46   C     C_R   0.693340 0.451660 0.888280 -0.082229
C47   C     C_R   0.768368 0.606282 0.890717 -0.075501
H26   H     H_    0.714551 0.627775 0.942847 0.143582
C48   C     C_R   0.789753 0.650856 0.866706 0.001501
C49   C     C_R   0.857549 0.623400 0.798630 -0.073213
H27   H     H_    0.873797 0.658917 0.779632 0.152095
C50   C     C_R   0.902322 0.550950 0.753621 0.001511
C51   C     C_R   0.878044 0.506532 0.778432 -0.077688
H28   H     H_    0.910378 0.450316 0.743947 0.131933
C52   C     C_R   0.811422 0.534715 0.848157 -0.035002
O9    O     O_R   0.521160 0.950166 0.098127 -0.269333
O10   O     O_R   0.613910 0.972624 0.026984 -0.273096
C53   C     C_R   0.544217 0.993708 0.081863 0.263155
O11   O     O_R   0.628619 0.842396 0.099703 -0.269230
O12   O     O_R   0.724067 0.861270 0.027884 -0.276896
C54   C     C_R   0.690680 0.845586 0.082303 0.255805
Cu3   Cu    Cu3+1 0.586575 0.847354 0.038893 0.379875
Cu4   Cu    Cu3+1 0.694197 0.873346 0.958565 0.376369
O13   O     O_R   0.668709 0.747974 0.972121 -0.277268
O14   O     O_R   0.757976 0.771073 0.897069 -0.272836
O15   O     O_R   0.555092 0.861235 0.970980 -0.275685
O16   O     O_R   0.645516 0.887328 0.903570 -0.270299
C55   C     C_R   0.736578 0.727025 0.913998 0.253404
C56   C     C_R   0.588709 0.876333 0.916438 0.260127
H29   H     H_    0.906776 0.076876 0.968716 0.134542
C57   C     C_R   0.956599 0.110706 0.020845 0.024552
C58   C     C_R   0.939308 0.163368 0.079612 -0.085429
H30   H     H_    0.984427 0.159639 0.088015 0.126588
C59   C     C_R   0.863689 0.222048 0.128261 -0.091667
H31   H     H_    0.851974 0.263554 0.172396 0.103670
C60   C     C_R   0.804420 0.228188 0.119227 -0.011654
C61   C     C_R   0.821950 0.174461 0.061560 -0.093698
H32   H     H_    0.776905 0.175657 0.054346 0.103291
C62   C     C_R   0.897000 0.117146 0.012464 -0.082830
C63   C     C_R   0.682859 0.316104 0.136599 -0.077594
H33   H     H_    0.710834 0.291909 0.077964 0.130297
C64   C     C_R   0.606773 0.373096 0.179694 0.000682
C65   C     C_R   0.571984 0.407732 0.253793 -0.070988
H34   H     H_    0.512303 0.452421 0.287521 0.156423
C66   C     C_R   0.612301 0.384714 0.285475 0.003236
C67   C     C_R   0.688428 0.325977 0.242398 -0.075759
H35   H     H_    0.719723 0.307070 0.267315 0.125810
C68   C     C_R   0.724125 0.291374 0.167360 -0.029531
H36   H     H_    0.351680 0.112235 0.578101 0.124198
C69   C     C_R   0.466619 0.087677 0.502687 0.025880
C70   C     C_R   0.512542 0.114402 0.473358 -0.080915
H37   H     H_    0.574876 0.078822 0.433834 0.120197
C71   C     C_R   0.478815 0.186129 0.491122 -0.088504
H38   H     H_    0.515761 0.204535 0.462781 0.104110
C72   C     C_R   0.399035 0.232299 0.541580 -0.009795
C73   C     C_R   0.353973 0.205145 0.573854 -0.090146
H39   H     H_    0.292094 0.239662 0.615554 0.102097
C74   C     C_R   0.387409 0.132938 0.553022 -0.081135
C75   C     C_R   0.289696 0.342343 0.565519 -0.072837
H40   H     H_    0.260690 0.313901 0.565834 0.134429
C76   C     C_R   0.257324 0.410139 0.568818 0.002797
C77   C     C_R   0.298494 0.443837 0.560950 -0.071824
H41   H     H_    0.275275 0.495318 0.559532 0.152517
C78   C     C_R   0.371535 0.409409 0.550230 0.003283
C79   C     C_R   0.401749 0.342477 0.549566 -0.075392
H42   H     H_    0.457873 0.316281 0.542457 0.128600
C80   C     C_R   0.361860 0.307913 0.555315 -0.029302
H43   H     H_    0.856078 0.493659 0.565035 0.120081
C81   C     C_R   0.917290 0.530858 0.494404 0.026008
C82   C     C_R   0.922451 0.558948 0.443638 -0.081488
H44   H     H_    0.969014 0.568552 0.417645 0.122965
C83   C     C_R   0.870030 0.572149 0.423658 -0.090359
H45   H     H_    0.877150 0.591738 0.381662 0.101295
C84   C     C_R   0.809629 0.560689 0.457189 -0.009933
C85   C     C_R   0.805240 0.532272 0.508155 -0.088799
H46   H     H_    0.757696 0.524876 0.537604 0.103185
C86   C     C_R   0.860140 0.515725 0.525072 -0.080918
C87   C     C_R   0.705196 0.551629 0.451803 -0.076172
H47   H     H_    0.724335 0.502913 0.459004 0.128024
C88   C     C_R   0.637472 0.582075 0.453155 0.003112
C89   C     C_R   0.613701 0.644095 0.442332 -0.071739
H48   H     H_    0.559828 0.669330 0.445060 0.151872
C90   C     C_R   0.657007 0.675934 0.432045 0.002883
C91   C     C_R   0.722790 0.646045 0.433753 -0.072840
H49   H     H_    0.752942 0.673626 0.431713 0.134286
C92   C     C_R   0.746753 0.584652 0.444413 -0.029625
H50   H     H_    0.511117 0.430806 0.881845 0.122915
C93   C     C_R   0.400648 0.513149 0.978678 0.024735
C94   C     C_R   0.332312 0.576242 0.006938 -0.082020
H51   H     H_    0.288827 0.603718 0.065460 0.119464
C95   C     C_R   0.319407 0.605116 0.960905 -0.087918
H52   H     H_    0.263820 0.653317 0.985108 0.101973
C96   C     C_R   0.377191 0.573817 0.886340 -0.007985
C97   C     C_R   0.445251 0.509555 0.858370 -0.090184
H53   H     H_    0.493062 0.483980 0.801432 0.098302
C98   C     C_R   0.455962 0.478893 0.904092 -0.081421
C99   C     C_R   0.405977 0.571321 0.763617 -0.075273
H54   H     H_    0.441055 0.513922 0.738984 0.124095
C100  C     C_R   0.396624 0.605801 0.719771 0.002056
C101  C     C_R   0.347367 0.678406 0.750891 -0.070244
H55   H     H_    0.339769 0.704696 0.716393 0.158056
C102  C     C_R   0.309011 0.717364 0.825017 0.001029
C103  C     C_R   0.320768 0.683599 0.868344 -0.077292
H56   H     H_    0.292456 0.715645 0.925597 0.125612
C104  C     C_R   0.367799 0.609916 0.838596 -0.026934
O17   O     O_R   0.089736 0.036444 0.985410 -0.271904
O18   O     O_R   0.040501 0.002012 0.919549 -0.274353
C105  C     C_R   0.030644 0.049224 0.972990 0.260817
O19   O     O_R   0.247041 0.934208 0.889114 -0.277882
O20   O     O_R   0.195578 0.951317 0.815698 -0.263902
C106  C     C_R   0.247213 0.949373 0.831004 0.258839
Cu5   Cu    Cu3+1 0.156683 0.937305 0.963961 0.358992
Cu6   Cu    Cu3+1 0.136566 0.908060 0.857965 0.387681
O21   O     O_R   0.219308 0.833697 0.926673 -0.274409
O22   O     O_R   0.234907 0.818392 0.813575 -0.273635
O23   O     O_R   0.063200 0.935271 0.022266 -0.275326
O24   O     O_R   0.081654 0.869089 0.916133 -0.270645
C107  C     C_R   0.252297 0.793636 0.856858 0.260008
C108  C     C_R   0.049913 0.893082 0.988117 0.261532
O25   O     O_R   0.544568 0.507740 0.083525 -0.266108
O26   O     O_R   0.592484 0.411831 0.976445 -0.278785
C109  C     C_R   0.596612 0.463536 0.008295 0.257423
O27   O     O_R   0.495063 0.458681 0.188054 -0.272808
O28   O     O_R   0.594074 0.358291 0.077728 -0.275650
C110  C     C_R   0.563310 0.397832 0.146834 0.259151
Cu7   Cu    Cu3+1 0.449539 0.507248 0.140688 0.392676
Cu8   Cu    Cu3+1 0.530682 0.379036 0.036848 0.354282
O29   O     O_R   0.366878 0.486792 0.182653 -0.266552
O30   O     O_R   0.457159 0.365783 0.112627 -0.279257
O31   O     O_R   0.417215 0.535653 0.076747 -0.266120
O32   O     O_R   0.455181 0.420173 0.011511 -0.272027
C111  C     C_R   0.387236 0.419498 0.168047 0.261071
C112  C     C_R   0.421600 0.489020 0.027143 0.262179
O33   O     O_R   0.450058 0.904409 0.550175 -0.267966
O34   O     O_R   0.543960 0.903427 0.568241 -0.278269
C113  C     C_R   0.474661 0.912273 0.593304 0.255097
O35   O     O_R   0.567330 0.777506 0.428518 -0.269915
O36   O     O_R   0.661665 0.780248 0.443393 -0.274425
C114  C     C_R   0.628305 0.747122 0.432347 0.257787
Cu9   Cu    Cu3+1 0.514009 0.877214 0.444583 0.396346
Cu10  Cu    Cu3+1 0.619686 0.881421 0.467365 0.365231
O37   O     O_R   0.588980 0.856845 0.343728 -0.270724
O38   O     O_R   0.683586 0.853575 0.361859 -0.273263
O39   O     O_R   0.470430 0.978962 0.470380 -0.266924
O40   O     O_R   0.566918 0.980707 0.482742 -0.273673
C115  C     C_R   0.657832 0.849679 0.319449 0.255868
C116  C     C_R   0.503045 0.011999 0.484047 0.257835
O41   O     O_R   0.988561 0.566895 0.653912 -0.271065
O42   O     O_R   0.009123 0.454903 0.635936 -0.273372
C117  C     C_R   0.970819 0.522835 0.678067 0.255912
O43   O     O_R   0.994892 0.558263 0.526330 -0.266917
O44   O     O_R   0.004343 0.450350 0.514179 -0.273724
C118  C     C_R   0.975012 0.512532 0.512536 0.257748
Cu11  Cu    Cu3+1 0.070334 0.540297 0.553375 0.394964
Cu12  Cu    Cu3+1 0.087802 0.412789 0.530644 0.365024
O45   O     O_R   0.149923 0.498093 0.448030 -0.268059
O46   O     O_R   0.167836 0.386995 0.430034 -0.278429
O47   O     O_R   0.153328 0.502941 0.570782 -0.270279
O48   O     O_R   0.164614 0.394501 0.555743 -0.274377
C119  C     C_R   0.184990 0.430609 0.405102 0.255282
C120  C     C_R   0.186790 0.438553 0.567499 0.257807

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
O1    Cu1   1.953 .      S
O2    Cu2   1.953 .      S
C1    C100  1.466 .      S
O3    Cu1   1.953 .      S
O4    Cu2   1.954 .      S
C2    C78   1.469 .      S
Cu1   Cu2   2.662 .      S
Cu1   O5    1.953 .      S
Cu1   O7    1.953 .      S
Cu2   O6    1.953 .      S
Cu2   O8    1.954 .      S
C3    C66   1.465 .      S
C4    C88   1.470 .      S
H1    C10   1.080 .      S
C5    C56   1.455 .      S
C6    H2    1.081 .      S
C7    H3    1.081 .      S
C8    C16   1.458 .      S
C9    H4    1.081 .      S
C11   H5    1.080 .      S
C12   C106  1.486 .      S
C13   H6    1.081 .      S
C14   C113  1.485 .      S
C15   H7    1.078 .      S
H8    C22   1.081 1_556  S
C17   C18   1.463 .      S
C17   C108  1.474 1_654  S
C18   H9    1.081 .      S
C19   H10   1.081 .      S
C20   C28   1.474 .      S
C21   H11   1.081 .      S
C22   H8    1.081 1_554  S
C23   H12   1.081 .      S
C24   C115  1.489 .      S
C25   H13   1.080 .      S
C26   C54   1.462 .      S
C27   H14   1.078 .      S
H15   C34   1.081 .      S
C29   C53   1.451 1_545  S
C30   H16   1.080 .      S
C31   H17   1.081 .      S
C32   C40   1.455 .      S
C33   H18   1.081 .      S
C35   H19   1.078 .      S
C36   C119  1.483 .      S
C37   H20   1.081 .      S
C38   C111  1.483 .      S
C39   H21   1.080 .      S
H22   C46   1.081 .      S
C41   C109  1.469 1_556  S
C42   H23   1.081 1_556  S
H23   C42   1.081 1_554  S
C43   H24   1.081 .      S
C44   C52   1.469 .      S
C45   H25   1.081 .      S
C47   H26   1.078 .      S
C48   C55   1.460 .      S
C49   H27   1.080 .      S
C50   C117  1.484 .      S
C51   H28   1.080 .      S
O9    Cu3   1.953 .      S
O10   Cu4   1.950 1_554  S
C53   C29   1.451 1_565  S
O11   Cu3   1.953 .      S
O12   Cu4   1.951 1_554  S
Cu3   Cu4   2.664 1_554  S
Cu3   O13   1.951 1_554  S
Cu3   O15   1.950 1_554  S
Cu4   O10   1.950 1_556  S
Cu4   O12   1.951 1_556  S
Cu4   Cu3   2.664 1_556  S
Cu4   O14   1.953 .      S
Cu4   O16   1.953 .      S
O13   Cu3   1.951 1_556  S
O15   Cu3   1.950 1_556  S
H29   C62   1.080 1_556  S
C58   H30   1.080 .      S
C59   H31   1.080 .      S
C60   C68   1.476 .      S
C61   H32   1.080 .      S
C62   H29   1.080 1_554  S
C63   H33   1.079 .      S
C64   C110  1.459 .      S
C65   H34   1.079 .      S
C67   H35   1.080 .      S
H36   C74   1.081 .      S
C69   C116  1.449 .      S
C70   H37   1.081 .      S
C71   H38   1.079 .      S
C72   C80   1.470 .      S
C73   H39   1.080 .      S
C75   H40   1.077 .      S
C76   C120  1.469 .      S
C77   H41   1.080 .      S
C79   H42   1.079 .      S
H43   C86   1.081 .      S
C81   C118  1.448 .      S
C82   H44   1.081 .      S
C83   H45   1.080 .      S
C84   C92   1.470 .      S
C85   H46   1.079 .      S
C87   H47   1.078 .      S
C89   H48   1.080 .      S
C90   C114  1.470 .      S
C91   H49   1.076 .      S
H50   C98   1.081 .      S
C93   C112  1.458 1_556  S
C94   H51   1.081 .      S
C95   H52   1.079 .      S
C96   C104  1.483 .      S
C97   H53   1.079 .      S
C99   H54   1.078 .      S
C101  H55   1.079 .      S
C102  C107  1.460 .      S
C103  H56   1.078 .      S
O17   C105  1.399 .      S
O17   Cu5   1.955 1_545  S
O18   Cu6   1.952 1_545  S
O19   C106  1.394 .      S
O19   Cu5   1.950 .      S
O20   Cu6   1.960 .      S
Cu5   O17   1.955 1_565  S
Cu5   Cu6   2.612 .      S
Cu5   O21   1.955 .      S
Cu5   O23   1.952 1_556  S
Cu6   O18   1.952 1_565  S
Cu6   O22   1.950 .      S
Cu6   O24   1.957 .      S
O23   Cu5   1.952 1_554  S
C108  C17   1.474 1_456  S
O25   C109  1.399 .      S
O25   Cu7   1.956 .      S
O26   Cu8   1.953 1_556  S
C109  C41   1.469 1_554  S
O27   Cu7   1.952 .      S
O28   Cu8   1.953 .      S
Cu7   Cu8   2.616 .      S
Cu7   O29   1.959 .      S
Cu7   O31   1.953 .      S
Cu8   O26   1.953 1_554  S
Cu8   O30   1.950 .      S
Cu8   O32   1.953 .      S
C112  C93   1.458 1_554  S
O33   Cu9   1.958 .      S
O34   Cu10  1.951 .      S
O35   Cu9   1.956 .      S
O36   Cu10  1.950 .      S
Cu9   Cu10  2.661 .      S
Cu9   O37   1.957 .      S
Cu9   O39   1.953 .      S
Cu10  O38   1.954 .      S
Cu10  O40   1.951 .      S
O41   Cu11  1.957 1_655  S
O42   Cu12  1.953 .      S
O43   Cu11  1.953 1_655  S
O44   Cu12  1.950 .      S
Cu11  O41   1.957 1_455  S
Cu11  O43   1.953 1_455  S
Cu11  Cu12  2.661 .      S
Cu11  O45   1.958 .      S
Cu11  O47   1.955 .      S
Cu12  O46   1.951 .      S
Cu12  O48   1.950 .      S
O1    C1    1.314 .      A
O2    C1    1.310 .      A
O3    C2    1.310 .      A
O4    C2    1.315 .      A
O5    C3    1.314 .      A
O6    C3    1.310 .      A
O7    C4    1.309 .      A
O8    C4    1.316 .      A
C5    C6    1.382 .      A
C5    C10   1.377 .      A
C6    C7    1.381 .      A
C7    C8    1.382 .      A
C8    C9    1.379 .      A
C9    C10   1.366 .      A
C11   C12   1.379 .      A
C11   C16   1.365 .      A
C12   C13   1.407 .      A
C13   C14   1.410 .      A
C14   C15   1.385 .      A
C15   C16   1.364 .      A
C17   C22   1.376 1_655  A
C18   C19   1.385 .      A
C19   C20   1.383 .      A
C20   C21   1.391 .      A
C21   C22   1.382 1_655  A
C22   C17   1.376 1_455  A
C22   C21   1.382 1_455  A
C23   C24   1.404 .      A
C23   C28   1.394 .      A
C24   C25   1.391 .      A
C25   C26   1.386 .      A
C26   C27   1.368 .      A
C27   C28   1.368 .      A
C29   C30   1.376 .      A
C29   C34   1.381 .      A
C30   C31   1.365 .      A
C31   C32   1.379 .      A
C32   C33   1.381 .      A
C33   C34   1.379 .      A
C35   C36   1.384 .      A
C35   C40   1.362 .      A
C36   C37   1.409 .      A
C37   C38   1.406 .      A
C38   C39   1.378 .      A
C39   C40   1.363 .      A
C41   C42   1.377 .      A
C41   C46   1.386 .      A
C42   C43   1.378 .      A
C43   C44   1.385 .      A
C44   C45   1.381 .      A
C45   C46   1.386 .      A
C47   C48   1.367 .      A
C47   C52   1.366 .      A
C48   C49   1.385 .      A
C49   C50   1.390 .      A
C50   C51   1.402 .      A
C51   C52   1.391 .      A
O9    C53   1.312 .      A
O10   C53   1.308 .      A
O11   C54   1.308 .      A
O12   C54   1.314 .      A
O13   C55   1.312 .      A
O14   C55   1.306 .      A
O15   C56   1.308 .      A
O16   C56   1.312 .      A
C57   C58   1.386 .      A
C57   C62   1.383 .      A
C57   C105  1.392 1_654  A
C58   C59   1.388 .      A
C59   C60   1.386 .      A
C60   C61   1.381 .      A
C61   C62   1.372 .      A
C63   C64   1.376 .      A
C63   C68   1.383 .      A
C64   C65   1.375 .      A
C65   C66   1.377 .      A
C66   C67   1.390 .      A
C67   C68   1.389 .      A
C69   C70   1.375 .      A
C69   C74   1.374 .      A
C70   C71   1.374 .      A
C71   C72   1.385 .      A
C72   C73   1.386 .      A
C73   C74   1.375 .      A
C75   C76   1.379 .      A
C75   C80   1.377 .      A
C76   C77   1.384 .      A
C77   C78   1.390 .      A
C78   C79   1.381 .      A
C79   C80   1.381 .      A
C81   C82   1.374 .      A
C81   C86   1.375 .      A
C82   C83   1.375 .      A
C83   C84   1.386 .      A
C84   C85   1.384 .      A
C85   C86   1.373 .      A
C87   C88   1.381 .      A
C87   C92   1.380 .      A
C88   C89   1.391 .      A
C89   C90   1.386 .      A
C90   C91   1.379 .      A
C91   C92   1.377 .      A
C93   C94   1.375 1_556  A
C93   C98   1.377 .      A
C94   C93   1.375 1_554  A
C94   C95   1.379 1_554  A
C95   C94   1.379 1_556  A
C95   C96   1.390 .      A
C96   C97   1.387 .      A
C97   C98   1.379 .      A
C99   C100  1.384 .      A
C99   C104  1.392 .      A
C100  C101  1.372 .      A
C101  C102  1.377 .      A
C102  C103  1.378 .      A
C103  C104  1.389 .      A
O18   C105  1.318 .      A
C105  C57   1.392 1_456  A
O20   C106  1.329 .      A
O21   C107  1.327 .      A
O22   C107  1.318 .      A
O23   C108  1.317 1_554  A
O24   C108  1.330 .      A
C108  O23   1.317 1_556  A
O26   C109  1.311 1_556  A
C109  O26   1.311 1_554  A
O27   C110  1.320 .      A
O28   C110  1.322 .      A
O29   C111  1.327 .      A
O30   C111  1.319 .      A
O31   C112  1.322 .      A
O32   C112  1.324 .      A
O33   C113  1.317 .      A
O34   C113  1.314 .      A
O35   C114  1.314 .      A
O36   C114  1.308 .      A
O37   C115  1.322 .      A
O38   C115  1.311 .      A
O39   C116  1.313 1_565  A
O40   C116  1.306 1_565  A
C116  O39   1.313 1_545  A
C116  O40   1.306 1_545  A
O41   C117  1.321 .      A
O42   C117  1.310 1_455  A
C117  O42   1.310 1_655  A
O43   C118  1.313 .      A
O44   C118  1.306 1_455  A
C118  O44   1.306 1_655  A
O45   C119  1.317 .      A
O46   C119  1.313 .      A
O47   C120  1.314 .      A
O48   C120  1.308 .      A
