# Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics.
# This journal is © the Owner Societies 2014

data_3D\Atomistic
_audit_creation_date              2012-09-24
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P1'
_symmetry_Int_Tables_number       1
_symmetry_cell_setting            triclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
_cell_length_a                    150.0000
_cell_length_b                    150.0000
_cell_length_c                    150.0000
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 90.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
C1     C     0.46092   0.50327  -0.45405   0.00000  Uiso   1.00
C2     C     0.46436   0.50898  -0.46083   0.00000  Uiso   1.00
C3     C     0.46056   0.51723  -0.46242   0.00000  Uiso   1.00
C4     C     0.45335   0.52029  -0.45727   0.00000  Uiso   1.00
C5     C     0.45010   0.51481  -0.45039   0.00000  Uiso   1.00
C6     C     0.45385   0.50659  -0.44865   0.00000  Uiso   1.00
H7     H     0.46982   0.50672  -0.46518   0.00000  Uiso   1.00
H8     H     0.46318   0.52129  -0.46794   0.00000  Uiso   1.00
H9     H     0.44446   0.51707  -0.44628   0.00000  Uiso   1.00
H10    H     0.45098   0.50246  -0.44331   0.00000  Uiso   1.00
C11    C     0.49192   0.47268  -0.47531   0.00000  Uiso   1.00
C12    C     0.48961   0.48177  -0.47553   0.00000  Uiso   1.00
C13    C     0.48309   0.48510  -0.46994   0.00000  Uiso   1.00
C14    C     0.47862   0.47947  -0.46372   0.00000  Uiso   1.00
C15    C     0.48112   0.47031  -0.46345   0.00000  Uiso   1.00
C16    C     0.48751   0.46707  -0.46921   0.00000  Uiso   1.00
C17    C     0.47205   0.48279  -0.45813   0.00000  Uiso   1.00
N18    N     0.46818   0.47707  -0.45233   0.00000  Uiso   1.00
C19    C     0.46205   0.48075  -0.44685   0.00000  Uiso   1.00
N20    N     0.45962   0.48943  -0.44695   0.00000  Uiso   1.00
C21    C     0.46371   0.49447  -0.45323   0.00000  Uiso   1.00
N22    N     0.47002   0.49154  -0.45894   0.00000  Uiso   1.00
H23    H     0.48140   0.49222  -0.47035   0.00000  Uiso   1.00
H24    H     0.47795   0.46573  -0.45867   0.00000  Uiso   1.00
H25    H     0.49284   0.48637  -0.48024   0.00000  Uiso   1.00
H26    H     0.48920   0.45993  -0.46900   0.00000  Uiso   1.00
C27    C     0.44968   0.46365  -0.42815   0.00000  Uiso   1.00
C28    C     0.45531   0.46017  -0.43479   0.00000  Uiso   1.00
C29    C     0.45942   0.46573  -0.44088   0.00000  Uiso   1.00
C30    C     0.45786   0.47512  -0.44079   0.00000  Uiso   1.00
C31    C     0.45192   0.47852  -0.43421   0.00000  Uiso   1.00
C32    C     0.44818   0.47291  -0.42796   0.00000  Uiso   1.00
H33    H     0.46393   0.46278  -0.44585   0.00000  Uiso   1.00
H34    H     0.45052   0.48571  -0.43381   0.00000  Uiso   1.00
H35    H     0.45669   0.45297  -0.43506   0.00000  Uiso   1.00
H36    H     0.44388   0.47581  -0.42276   0.00000  Uiso   1.00
C37    C     0.50644   0.57075  -0.46374   0.00000  Uiso   1.00
C38    C     0.50238   0.57648  -0.46993   0.00000  Uiso   1.00
C39    C     0.49344   0.57570  -0.47191   0.00000  Uiso   1.00
C40    C     0.48826   0.56873  -0.46807   0.00000  Uiso   1.00
C41    C     0.49243   0.56299  -0.46177   0.00000  Uiso   1.00
C42    C     0.50131   0.56405  -0.45965   0.00000  Uiso   1.00
H43    H     0.49049   0.58029  -0.47681   0.00000  Uiso   1.00
H44    H     0.48865   0.55754  -0.45863   0.00000  Uiso   1.00
H45    H     0.50632   0.58174  -0.47318   0.00000  Uiso   1.00
H46    H     0.50438   0.55953  -0.45475   0.00000  Uiso   1.00
C47    C     0.46687   0.55900  -0.47050   0.00000  Uiso   1.00
N48    N     0.46264   0.56445  -0.47631   0.00000  Uiso   1.00
C49    C     0.46760   0.57141  -0.47920   0.00000  Uiso   1.00
N50    N     0.47608   0.57311  -0.47670   0.00000  Uiso   1.00
C51    C     0.47954   0.56731  -0.47077   0.00000  Uiso   1.00
N52    N     0.47526   0.56013  -0.46743   0.00000  Uiso   1.00
C53    C     0.45662   0.58828  -0.49876   0.00000  Uiso   1.00
C54    C     0.45152   0.58129  -0.49517   0.00000  Uiso   1.00
C55    C     0.45498   0.57581  -0.48863   0.00000  Uiso   1.00
C56    C     0.46382   0.57714  -0.48539   0.00000  Uiso   1.00
C57    C     0.46885   0.58435  -0.48897   0.00000  Uiso   1.00
C58    C     0.46533   0.58967  -0.49559   0.00000  Uiso   1.00
H59    H     0.45088   0.57031  -0.48608   0.00000  Uiso   1.00
H60    H     0.47572   0.58563  -0.48673   0.00000  Uiso   1.00
H61    H     0.44471   0.58007  -0.49760   0.00000  Uiso   1.00
H62    H     0.46942   0.59509  -0.49837   0.00000  Uiso   1.00
O63    O     0.49825   0.46889  -0.48091   0.00000  Uiso   1.00
O64    O     0.44606   0.45839  -0.42145   0.00000  Uiso   1.00
O65    O     0.51544   0.57167  -0.46193   0.00000  Uiso   1.00
O66    O     0.45337   0.59359  -0.50557   0.00000  Uiso   1.00
O67    O     0.44894   0.52825  -0.45900   0.00000  Uiso   1.00
C68    C     0.46238   0.55147  -0.46755   0.00000  Uiso   1.00
C69    C     0.46658   0.54534  -0.46163   0.00000  Uiso   1.00
C70    C     0.46228   0.53769  -0.45888   0.00000  Uiso   1.00
C71    C     0.45362   0.53572  -0.46186   0.00000  Uiso   1.00
C72    C     0.44935   0.54181  -0.46759   0.00000  Uiso   1.00
C73    C     0.45356   0.54948  -0.47045   0.00000  Uiso   1.00
H74    H     0.47338   0.54661  -0.45919   0.00000  Uiso   1.00
H75    H     0.46574   0.53324  -0.45419   0.00000  Uiso   1.00
H76    H     0.44252   0.54043  -0.46991   0.00000  Uiso   1.00
H77    H     0.45004   0.55401  -0.47503   0.00000  Uiso   1.00
C78    C     0.58975   0.57337  -0.39706   0.00000  Uiso   1.00
C79    C     0.58244   0.57788  -0.40111   0.00000  Uiso   1.00
C80    C     0.57510   0.57319  -0.40405   0.00000  Uiso   1.00
C81    C     0.57459   0.56389  -0.40295   0.00000  Uiso   1.00
C82    C     0.58183   0.55941  -0.39901   0.00000  Uiso   1.00
C83    C     0.58927   0.56395  -0.39611   0.00000  Uiso   1.00
H84    H     0.58258   0.58516  -0.40201   0.00000  Uiso   1.00
H85    H     0.56974   0.57693  -0.40737   0.00000  Uiso   1.00
H86    H     0.58158   0.55212  -0.39823   0.00000  Uiso   1.00
H87    H     0.59477   0.56022  -0.39299   0.00000  Uiso   1.00
C88    C     0.60520   0.61917  -0.39419   0.00000  Uiso   1.00
C89    C     0.59729   0.61458  -0.39621   0.00000  Uiso   1.00
C90    C     0.59696   0.60539  -0.39589   0.00000  Uiso   1.00
C91    C     0.60452   0.60043  -0.39293   0.00000  Uiso   1.00
C92    C     0.61241   0.60518  -0.39066   0.00000  Uiso   1.00
C93    C     0.61275   0.61431  -0.39150   0.00000  Uiso   1.00
C94    C     0.60424   0.59124  -0.39211   0.00000  Uiso   1.00
N95    N     0.61135   0.58725  -0.38831   0.00000  Uiso   1.00
C96    C     0.61074   0.57830  -0.38748   0.00000  Uiso   1.00
N97    N     0.60382   0.57335  -0.39037   0.00000  Uiso   1.00
C98    C     0.59712   0.57807  -0.39410   0.00000  Uiso   1.00
N99    N     0.59690   0.58701  -0.39508   0.00000  Uiso   1.00
H100   H     0.59069   0.60199  -0.39761   0.00000  Uiso   1.00
H101   H     0.61840   0.60165  -0.38833   0.00000  Uiso   1.00
H102   H     0.59132   0.61832  -0.39824   0.00000  Uiso   1.00
H103   H     0.61904   0.61773  -0.38995   0.00000  Uiso   1.00
C104   C     0.63120   0.56515  -0.37329   0.00000  Uiso   1.00
C105   C     0.63134   0.57445  -0.37451   0.00000  Uiso   1.00
C106   C     0.62484   0.57879  -0.37935   0.00000  Uiso   1.00
C107   C     0.61766   0.57391  -0.38317   0.00000  Uiso   1.00
C108   C     0.61766   0.56446  -0.38209   0.00000  Uiso   1.00
C109   C     0.62436   0.56022  -0.37739   0.00000  Uiso   1.00
H110   H     0.62515   0.58609  -0.37993   0.00000  Uiso   1.00
H111   H     0.61228   0.56037  -0.38493   0.00000  Uiso   1.00
H112   H     0.63674   0.57843  -0.37152   0.00000  Uiso   1.00
H113   H     0.62426   0.55290  -0.37694   0.00000  Uiso   1.00
C114   C     0.50754   0.59799  -0.39465   0.00000  Uiso   1.00
C115   C     0.50416   0.59601  -0.40315   0.00000  Uiso   1.00
C116   C     0.50892   0.59075  -0.40901   0.00000  Uiso   1.00
C117   C     0.51732   0.58714  -0.40646   0.00000  Uiso   1.00
C118   C     0.52046   0.58881  -0.39765   0.00000  Uiso   1.00
C119   C     0.51572   0.59427  -0.39198   0.00000  Uiso   1.00
H120   H     0.50620   0.58957  -0.41572   0.00000  Uiso   1.00
H121   H     0.52692   0.58615  -0.39540   0.00000  Uiso   1.00
H122   H     0.49777   0.59890  -0.40531   0.00000  Uiso   1.00
H123   H     0.51842   0.59571  -0.38531   0.00000  Uiso   1.00
C124   C     0.53550   0.57527  -0.41557   0.00000  Uiso   1.00
N125   N     0.53335   0.57435  -0.42423   0.00000  Uiso   1.00
C126   C     0.52539   0.57776  -0.42657   0.00000  Uiso   1.00
N127   N     0.51969   0.58193  -0.42099   0.00000  Uiso   1.00
C128   C     0.52262   0.58260  -0.41251   0.00000  Uiso   1.00
N129   N     0.53046   0.57939  -0.40940   0.00000  Uiso   1.00
C130   C     0.51770   0.57343  -0.45315   0.00000  Uiso   1.00
C131   C     0.52620   0.57087  -0.45015   0.00000  Uiso   1.00
C132   C     0.52882   0.57243  -0.44150   0.00000  Uiso   1.00
C133   C     0.52294   0.57671  -0.43540   0.00000  Uiso   1.00
C134   C     0.51448   0.57956  -0.43855   0.00000  Uiso   1.00
C135   C     0.51193   0.57788  -0.44722   0.00000  Uiso   1.00
H136   H     0.53546   0.57017  -0.43937   0.00000  Uiso   1.00
H137   H     0.50978   0.58295  -0.43405   0.00000  Uiso   1.00
H138   H     0.53082   0.56745  -0.45472   0.00000  Uiso   1.00
H139   H     0.50530   0.58015  -0.44939   0.00000  Uiso   1.00
O140   O     0.60542   0.62839  -0.39465   0.00000  Uiso   1.00
O141   O     0.63814   0.56131  -0.36851   0.00000  Uiso   1.00
O142   O     0.50280   0.60343  -0.38891   0.00000  Uiso   1.00
O143   O     0.56741   0.55882  -0.40580   0.00000  Uiso   1.00
C144   C     0.54358   0.57157  -0.41303   0.00000  Uiso   1.00
C145   C     0.54678   0.57213  -0.40412   0.00000  Uiso   1.00
C146   C     0.55465   0.56800  -0.40173   0.00000  Uiso   1.00
C147   C     0.55963   0.56320  -0.40806   0.00000  Uiso   1.00
C148   C     0.55652   0.56258  -0.41685   0.00000  Uiso   1.00
C149   C     0.54876   0.56677  -0.41938   0.00000  Uiso   1.00
H150   H     0.54302   0.57582  -0.39904   0.00000  Uiso   1.00
H151   H     0.55698   0.56847  -0.39479   0.00000  Uiso   1.00
H152   H     0.56032   0.55878  -0.42184   0.00000  Uiso   1.00
H153   H     0.54657   0.56611  -0.42634   0.00000  Uiso   1.00
C154   C     0.36858   0.64333  -0.53525   0.00000  Uiso   1.00
C155   C     0.37258   0.63802  -0.52843   0.00000  Uiso   1.00
C156   C     0.38172   0.63780  -0.52734   0.00000  Uiso   1.00
C157   C     0.38732   0.64305  -0.53272   0.00000  Uiso   1.00
C158   C     0.38340   0.64849  -0.53929   0.00000  Uiso   1.00
C159   C     0.37429   0.64876  -0.54055   0.00000  Uiso   1.00
H160   H     0.36845   0.63368  -0.52419   0.00000  Uiso   1.00
H161   H     0.38448   0.63328  -0.52226   0.00000  Uiso   1.00
H162   H     0.38766   0.65261  -0.54363   0.00000  Uiso   1.00
H163   H     0.37154   0.65294  -0.54593   0.00000  Uiso   1.00
C164   C     0.32846   0.62041  -0.51895   0.00000  Uiso   1.00
C165   C     0.33721   0.62185  -0.51593   0.00000  Uiso   1.00
C166   C     0.34321   0.62671  -0.52103   0.00000  Uiso   1.00
C167   C     0.34056   0.63077  -0.52921   0.00000  Uiso   1.00
C168   C     0.33165   0.62933  -0.53213   0.00000  Uiso   1.00
C169   C     0.32592   0.62419  -0.52716   0.00000  Uiso   1.00
C170   C     0.34611   0.63631  -0.53415   0.00000  Uiso   1.00
N171   N     0.34226   0.64056  -0.54109   0.00000  Uiso   1.00
C172   C     0.34754   0.64622  -0.54564   0.00000  Uiso   1.00
N173   N     0.35628   0.64756  -0.54397   0.00000  Uiso   1.00
C174   C     0.35954   0.64271  -0.53707   0.00000  Uiso   1.00
N175   N     0.35474   0.63715  -0.53180   0.00000  Uiso   1.00
H176   H     0.35001   0.62774  -0.51848   0.00000  Uiso   1.00
H177   H     0.32920   0.63226  -0.53840   0.00000  Uiso   1.00
H178   H     0.33949   0.61917  -0.50951   0.00000  Uiso   1.00
H179   H     0.31910   0.62317  -0.52968   0.00000  Uiso   1.00
C180   C     0.33430   0.66185  -0.56492   0.00000  Uiso   1.00
C181   C     0.32984   0.65509  -0.56021   0.00000  Uiso   1.00
C182   C     0.33422   0.64973  -0.55418   0.00000  Uiso   1.00
C183   C     0.34346   0.65102  -0.55243   0.00000  Uiso   1.00
C184   C     0.34802   0.65773  -0.55739   0.00000  Uiso   1.00
C185   C     0.34347   0.66309  -0.56337   0.00000  Uiso   1.00
H186   H     0.33036   0.64466  -0.55054   0.00000  Uiso   1.00
H187   H     0.35514   0.65900  -0.55623   0.00000  Uiso   1.00
H188   H     0.32266   0.65402  -0.56128   0.00000  Uiso   1.00
H189   H     0.34716   0.66847  -0.56673   0.00000  Uiso   1.00
C190   C     0.41082   0.63261  -0.46257   0.00000  Uiso   1.00
C191   C     0.41737   0.62614  -0.46424   0.00000  Uiso   1.00
C192   C     0.41996   0.62416  -0.47284   0.00000  Uiso   1.00
C193   C     0.41575   0.62845  -0.48019   0.00000  Uiso   1.00
C194   C     0.40903   0.63491  -0.47844   0.00000  Uiso   1.00
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H196   H     0.42519   0.61914  -0.47391   0.00000  Uiso   1.00
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C200   C     0.41554   0.62785  -0.50377   0.00000  Uiso   1.00
N201   N     0.42203   0.62194  -0.50582   0.00000  Uiso   1.00
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N203   N     0.42450   0.62026  -0.49011   0.00000  Uiso   1.00
C204   C     0.41797   0.62629  -0.48888   0.00000  Uiso   1.00
N205   N     0.41327   0.63031  -0.49543   0.00000  Uiso   1.00
C206   C     0.44664   0.59960  -0.50355   0.00000  Uiso   1.00
C207   C     0.44217   0.60377  -0.51067   0.00000  Uiso   1.00
C208   C     0.43548   0.60990  -0.50923   0.00000  Uiso   1.00
C209   C     0.43298   0.61223  -0.50037   0.00000  Uiso   1.00
C210   C     0.43760   0.60805  -0.49319   0.00000  Uiso   1.00
C211   C     0.44424   0.60191  -0.49478   0.00000  Uiso   1.00
H212   H     0.43218   0.61299  -0.51500   0.00000  Uiso   1.00
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H215   H     0.44766   0.59895  -0.48900   0.00000  Uiso   1.00
O216   O     0.32183   0.61571  -0.51451   0.00000  Uiso   1.00
O217   O     0.32916   0.66727  -0.57037   0.00000  Uiso   1.00
O218   O     0.40840   0.63449  -0.45388   0.00000  Uiso   1.00
O219   O     0.39658   0.64287  -0.53225   0.00000  Uiso   1.00
C220   C     0.41076   0.63159  -0.51075   0.00000  Uiso   1.00
C221   C     0.40376   0.63784  -0.50915   0.00000  Uiso   1.00
C222   C     0.39902   0.64148  -0.51615   0.00000  Uiso   1.00
C223   C     0.40092   0.63908  -0.52501   0.00000  Uiso   1.00
C224   C     0.40786   0.63299  -0.52663   0.00000  Uiso   1.00
C225   C     0.41266   0.62925  -0.51975   0.00000  Uiso   1.00
H226   H     0.40208   0.63988  -0.50231   0.00000  Uiso   1.00
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H229   H     0.41798   0.62446  -0.52133   0.00000  Uiso   1.00
C230   C     0.52906   0.52873  -0.56159   0.00000  Uiso   1.00
C231   C     0.52675   0.52829  -0.55239   0.00000  Uiso   1.00
C232   C     0.52541   0.52020  -0.54822   0.00000  Uiso   1.00
C233   C     0.52661   0.51215  -0.55286   0.00000  Uiso   1.00
C234   C     0.52908   0.51253  -0.56191   0.00000  Uiso   1.00
C235   C     0.53030   0.52056  -0.56625   0.00000  Uiso   1.00
H236   H     0.52575   0.53442  -0.54848   0.00000  Uiso   1.00
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C739   C     0.53596   0.54011  -0.62986   0.00000  Uiso   1.00
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C742   C     0.51964   0.53261  -0.62509   0.00000  Uiso   1.00
C743   C     0.52440   0.53755  -0.61893   0.00000  Uiso   1.00
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H747   H     0.52145   0.53858  -0.61229   0.00000  Uiso   1.00
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H1203  H     0.33456   0.60499  -0.50663   0.00000  Uiso   1.00
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O1207  O     0.27768   0.60795  -0.45161   0.00000  Uiso   1.00
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C1211  C     0.28532   0.60500  -0.45589   0.00000  Uiso   1.00
C1212  C     0.28763   0.60891  -0.46408   0.00000  Uiso   1.00
C1213  C     0.29536   0.60658  -0.46845   0.00000  Uiso   1.00
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H1217  H     0.29691   0.60985  -0.47482   0.00000  Uiso   1.00
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C1220  C     0.33080   0.73378  -0.62505   0.00000  Uiso   1.00
C1221  C     0.32230   0.73150  -0.62830   0.00000  Uiso   1.00
C1222  C     0.31776   0.73769  -0.63371   0.00000  Uiso   1.00
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H1226  H     0.31108   0.73605  -0.63627   0.00000  Uiso   1.00
H1227  H     0.31766   0.75053  -0.64003   0.00000  Uiso   1.00
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C1232  C     0.35838   0.77580  -0.63272   0.00000  Uiso   1.00
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C1259  C     0.36538   0.68145  -0.63186   0.00000  Uiso   1.00
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H1262  H     0.37039   0.66375  -0.61831   0.00000  Uiso   1.00
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C1271  C     0.32820   0.67948  -0.58059   0.00000  Uiso   1.00
C1272  C     0.33073   0.68395  -0.58822   0.00000  Uiso   1.00
C1273  C     0.33784   0.68063  -0.59354   0.00000  Uiso   1.00
C1274  C     0.34223   0.67269  -0.59065   0.00000  Uiso   1.00
C1275  C     0.33947   0.66821  -0.58311   0.00000  Uiso   1.00
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H1277  H     0.34769   0.66981  -0.59463   0.00000  Uiso   1.00
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H1279  H     0.34276   0.66187  -0.58142   0.00000  Uiso   1.00
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O1281  O     0.32019   0.79557  -0.66432   0.00000  Uiso   1.00
O1282  O     0.37486   0.66872  -0.63477   0.00000  Uiso   1.00
O1283  O     0.31804   0.72355  -0.62614   0.00000  Uiso   1.00
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C1285  C     0.33571   0.70650  -0.62377   0.00000  Uiso   1.00
C1286  C     0.33064   0.71331  -0.62731   0.00000  Uiso   1.00
C1287  C     0.32316   0.71663  -0.62273   0.00000  Uiso   1.00
C1288  C     0.32070   0.71265  -0.61462   0.00000  Uiso   1.00
C1289  C     0.32568   0.70583  -0.61097   0.00000  Uiso   1.00
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H1291  H     0.33253   0.71613  -0.63382   0.00000  Uiso   1.00
H1292  H     0.31477   0.71504  -0.61102   0.00000  Uiso   1.00
H1293  H     0.32356   0.70293  -0.60458   0.00000  Uiso   1.00
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C1295  C     0.74326   0.55872  -0.44793   0.00000  Uiso   1.00
C1296  C     0.73884   0.56540  -0.44347   0.00000  Uiso   1.00
C1297  C     0.73077   0.56362  -0.43904   0.00000  Uiso   1.00
C1298  C     0.72714   0.55499  -0.43940   0.00000  Uiso   1.00
C1299  C     0.73141   0.54825  -0.44397   0.00000  Uiso   1.00
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H1302  H     0.72080   0.55355  -0.43597   0.00000  Uiso   1.00
H1303  H     0.72838   0.54157  -0.44417   0.00000  Uiso   1.00
C1304  C     0.78102   0.54571  -0.47221   0.00000  Uiso   1.00
C1305  C     0.77625   0.55214  -0.46742   0.00000  Uiso   1.00
C1306  C     0.76807   0.55003  -0.46369   0.00000  Uiso   1.00
C1307  C     0.76448   0.54127  -0.46470   0.00000  Uiso   1.00
C1308  C     0.76947   0.53479  -0.46957   0.00000  Uiso   1.00
C1309  C     0.77761   0.53708  -0.47326   0.00000  Uiso   1.00
C1310  C     0.75630   0.53915  -0.46101   0.00000  Uiso   1.00
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C1312  C     0.74512   0.52925  -0.45842   0.00000  Uiso   1.00
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H1317  H     0.76694   0.52797  -0.47047   0.00000  Uiso   1.00
H1318  H     0.77898   0.55891  -0.46665   0.00000  Uiso   1.00
H1319  H     0.78143   0.53211  -0.47705   0.00000  Uiso   1.00
C1320  C     0.73365   0.50417  -0.46261   0.00000  Uiso   1.00
C1321  C     0.74215   0.50599  -0.46602   0.00000  Uiso   1.00
C1322  C     0.74607   0.51423  -0.46459   0.00000  Uiso   1.00
C1323  C     0.74142   0.52090  -0.45962   0.00000  Uiso   1.00
C1324  C     0.73280   0.51887  -0.45613   0.00000  Uiso   1.00
C1325  C     0.72901   0.51061  -0.45769   0.00000  Uiso   1.00
H1326  H     0.75271   0.51555  -0.46741   0.00000  Uiso   1.00
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H1328  H     0.74572   0.50084  -0.46984   0.00000  Uiso   1.00
H1329  H     0.72236   0.50903  -0.45504   0.00000  Uiso   1.00
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C1331  C     0.77762   0.59579  -0.39081   0.00000  Uiso   1.00
C1332  C     0.77046   0.59927  -0.39550   0.00000  Uiso   1.00
C1333  C     0.76485   0.59347  -0.40053   0.00000  Uiso   1.00
C1334  C     0.76672   0.58415  -0.40065   0.00000  Uiso   1.00
C1335  C     0.77392   0.58085  -0.39591   0.00000  Uiso   1.00
H1336  H     0.76922   0.60649  -0.39531   0.00000  Uiso   1.00
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H1338  H     0.78194   0.60025  -0.38692   0.00000  Uiso   1.00
H1339  H     0.77538   0.57367  -0.39605   0.00000  Uiso   1.00
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C1344  C     0.75774   0.59686  -0.40533   0.00000  Uiso   1.00
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C1347  C     0.74142   0.63151  -0.41593   0.00000  Uiso   1.00
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C1349  C     0.74821   0.61790  -0.41000   0.00000  Uiso   1.00
C1350  C     0.75408   0.62335  -0.40490   0.00000  Uiso   1.00
C1351  C     0.75372   0.63248  -0.40557   0.00000  Uiso   1.00
H1352  H     0.73706   0.61835  -0.41947   0.00000  Uiso   1.00
H1353  H     0.75926   0.62036  -0.40064   0.00000  Uiso   1.00
H1354  H     0.73658   0.63465  -0.42045   0.00000  Uiso   1.00
H1355  H     0.75854   0.63647  -0.40173   0.00000  Uiso   1.00
H1356  H     0.78750   0.54745  -0.47518   0.00000  Uiso   1.00
H1357  H     0.73059   0.49761  -0.46379   0.00000  Uiso   1.00
H1358  H     0.78504   0.58394  -0.38721   0.00000  Uiso   1.00
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C1361  C     0.74308   0.57951  -0.41934   0.00000  Uiso   1.00
C1362  C     0.73830   0.57347  -0.42432   0.00000  Uiso   1.00
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C1365  C     0.73349   0.59153  -0.42477   0.00000  Uiso   1.00
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C1371  C     0.73456   0.80264  -0.37405   0.00000  Uiso   1.00
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C1374  C     0.71731   0.79963  -0.36769   0.00000  Uiso   1.00
C1375  C     0.72154   0.80749  -0.36551   0.00000  Uiso   1.00
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H1379  H     0.71801   0.81241  -0.36137   0.00000  Uiso   1.00
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C1385  C     0.76734   0.83804  -0.37475   0.00000  Uiso   1.00
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C1388  C     0.73437   0.83115  -0.36088   0.00000  Uiso   1.00
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H1395  H     0.77066   0.84449  -0.37368   0.00000  Uiso   1.00
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C1397  C     0.73007   0.85257  -0.34948   0.00000  Uiso   1.00
C1398  C     0.73437   0.84608  -0.35443   0.00000  Uiso   1.00
C1399  C     0.73016   0.83766  -0.35588   0.00000  Uiso   1.00
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C1401  C     0.71742   0.84268  -0.34716   0.00000  Uiso   1.00
H1402  H     0.74098   0.84753  -0.35723   0.00000  Uiso   1.00
H1403  H     0.71814   0.82967  -0.35306   0.00000  Uiso   1.00
H1404  H     0.73328   0.85907  -0.34839   0.00000  Uiso   1.00
H1405  H     0.71081   0.84149  -0.34423   0.00000  Uiso   1.00
C1406  C     0.73054   0.78828  -0.44481   0.00000  Uiso   1.00
C1407  C     0.73133   0.77904  -0.44586   0.00000  Uiso   1.00
C1408  C     0.72978   0.77339  -0.43872   0.00000  Uiso   1.00
C1409  C     0.72744   0.77700  -0.43024   0.00000  Uiso   1.00
C1410  C     0.72671   0.78643  -0.42928   0.00000  Uiso   1.00
C1411  C     0.72826   0.79193  -0.43653   0.00000  Uiso   1.00
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H1414  H     0.73316   0.77626  -0.45239   0.00000  Uiso   1.00
H1415  H     0.72773   0.79921  -0.43576   0.00000  Uiso   1.00
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C1422  C     0.73014   0.72999  -0.42130   0.00000  Uiso   1.00
C1423  C     0.72717   0.73295  -0.41291   0.00000  Uiso   1.00
C1424  C     0.72524   0.74188  -0.41148   0.00000  Uiso   1.00
C1425  C     0.72626   0.74829  -0.41844   0.00000  Uiso   1.00
C1426  C     0.72882   0.74510  -0.42701   0.00000  Uiso   1.00
C1427  C     0.73086   0.73625  -0.42825   0.00000  Uiso   1.00
H1428  H     0.72325   0.74403  -0.40475   0.00000  Uiso   1.00
H1429  H     0.72970   0.74971  -0.43265   0.00000  Uiso   1.00
H1430  H     0.72660   0.72823  -0.40731   0.00000  Uiso   1.00
H1431  H     0.73318   0.73407  -0.43487   0.00000  Uiso   1.00
H1432  H     0.77818   0.83275  -0.38271   0.00000  Uiso   1.00
H1433  H     0.71828   0.85611  -0.34191   0.00000  Uiso   1.00
H1434  H     0.73174   0.79270  -0.45054   0.00000  Uiso   1.00
O1435  O     0.71690   0.78551  -0.37519   0.00000  Uiso   1.00
C1436  C     0.72098   0.77335  -0.40014   0.00000  Uiso   1.00
C1437  C     0.72039   0.78281  -0.39939   0.00000  Uiso   1.00
C1438  C     0.71903   0.78679  -0.39124   0.00000  Uiso   1.00
C1439  C     0.71823   0.78163  -0.38347   0.00000  Uiso   1.00
C1440  C     0.71851   0.77229  -0.38416   0.00000  Uiso   1.00
C1441  C     0.71988   0.76815  -0.39227   0.00000  Uiso   1.00
H1442  H     0.72112   0.78710  -0.40529   0.00000  Uiso   1.00
H1443  H     0.71854   0.79411  -0.39097   0.00000  Uiso   1.00
H1444  H     0.71776   0.76817  -0.37812   0.00000  Uiso   1.00
H1445  H     0.72028   0.76083  -0.39255   0.00000  Uiso   1.00
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C1448  C     0.68959   0.59818  -0.52697   0.00000  Uiso   1.00
C1449  C     0.68552   0.60454  -0.53252   0.00000  Uiso   1.00
C1450  C     0.68820   0.60519  -0.54149   0.00000  Uiso   1.00
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H1480  H     0.73786   0.58404  -0.57551   0.00000  Uiso   1.00
H1481  H     0.71396   0.59927  -0.58080   0.00000  Uiso   1.00
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C1485  C     0.64470   0.58617  -0.49095   0.00000  Uiso   1.00
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C1502  C     0.64391   0.61379  -0.47345   0.00000  Uiso   1.00
C1503  C     0.64266   0.62038  -0.46713   0.00000  Uiso   1.00
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H1506  H     0.65200   0.63788  -0.47840   0.00000  Uiso   1.00
H1507  H     0.63926   0.61863  -0.46089   0.00000  Uiso   1.00
H1508  H     0.73938   0.56370  -0.51590   0.00000  Uiso   1.00
H1509  H     0.72834   0.59277  -0.58593   0.00000  Uiso   1.00
H1510  H     0.63598   0.56215  -0.48625   0.00000  Uiso   1.00
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C1513  C     0.66353   0.59899  -0.51452   0.00000  Uiso   1.00
C1514  C     0.66946   0.60045  -0.52141   0.00000  Uiso   1.00
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C1516  C     0.67145   0.61567  -0.51651   0.00000  Uiso   1.00
C1517  C     0.66557   0.61435  -0.50957   0.00000  Uiso   1.00
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H1520  H     0.67454   0.62229  -0.51733   0.00000  Uiso   1.00
H1521  H     0.66426   0.61989  -0.50495   0.00000  Uiso   1.00
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C1523  C     0.73312   0.58783  -0.50312   0.00000  Uiso   1.00
C1524  C     0.73289   0.58111  -0.49681   0.00000  Uiso   1.00
C1525  C     0.74075   0.57664  -0.49439   0.00000  Uiso   1.00
C1526  C     0.74884   0.57916  -0.49841   0.00000  Uiso   1.00
C1527  C     0.74922   0.58591  -0.50462   0.00000  Uiso   1.00
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H1531  H     0.75565   0.58757  -0.50771   0.00000  Uiso   1.00
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C1534  C     0.71802   0.60749  -0.52239   0.00000  Uiso   1.00
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C1536  C     0.72626   0.61545  -0.53413   0.00000  Uiso   1.00
C1537  C     0.71836   0.61935  -0.53689   0.00000  Uiso   1.00
C1538  C     0.73412   0.60562  -0.52382   0.00000  Uiso   1.00
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C1549  C     0.76559   0.61395  -0.54034   0.00000  Uiso   1.00
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C1551  C     0.75715   0.60593  -0.52905   0.00000  Uiso   1.00
C1552  C     0.76523   0.60187  -0.52604   0.00000  Uiso   1.00
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H1556  H     0.76587   0.61867  -0.54593   0.00000  Uiso   1.00
H1557  H     0.77946   0.60075  -0.52787   0.00000  Uiso   1.00
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C1559  C     0.69585   0.57837  -0.43099   0.00000  Uiso   1.00
C1560  C     0.69899   0.57178  -0.43663   0.00000  Uiso   1.00
C1561  C     0.70525   0.57398  -0.44348   0.00000  Uiso   1.00
C1562  C     0.70801   0.58305  -0.44451   0.00000  Uiso   1.00
C1563  C     0.70474   0.58951  -0.43877   0.00000  Uiso   1.00
H1564  H     0.69679   0.56486  -0.43561   0.00000  Uiso   1.00
H1565  H     0.71288   0.58495  -0.44965   0.00000  Uiso   1.00
H1566  H     0.69114   0.57669  -0.42563   0.00000  Uiso   1.00
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C1575  C     0.70617   0.52947  -0.45908   0.00000  Uiso   1.00
C1576  C     0.71044   0.53750  -0.45789   0.00000  Uiso   1.00
C1577  C     0.70674   0.54403  -0.45212   0.00000  Uiso   1.00
C1578  C     0.69929   0.54158  -0.44676   0.00000  Uiso   1.00
C1579  C     0.69515   0.53341  -0.44793   0.00000  Uiso   1.00
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H1581  H     0.69628   0.54649  -0.44221   0.00000  Uiso   1.00
H1582  H     0.70886   0.52470  -0.46398   0.00000  Uiso   1.00
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H1584  H     0.70412   0.62061  -0.53465   0.00000  Uiso   1.00
H1585  H     0.77983   0.61147  -0.54055   0.00000  Uiso   1.00
H1586  H     0.69622   0.59239  -0.42751   0.00000  Uiso   1.00
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C1589  C     0.72684   0.57383  -0.46885   0.00000  Uiso   1.00
C1590  C     0.73204   0.57545  -0.47631   0.00000  Uiso   1.00
C1591  C     0.73532   0.56835  -0.48147   0.00000  Uiso   1.00
C1592  C     0.73332   0.55956  -0.47887   0.00000  Uiso   1.00
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H1595  H     0.73366   0.58239  -0.47804   0.00000  Uiso   1.00
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C1601  C     0.71836   0.41040  -0.34175   0.00000  Uiso   1.00
C1602  C     0.71772   0.40677  -0.33312   0.00000  Uiso   1.00
C1603  C     0.71937   0.39787  -0.33154   0.00000  Uiso   1.00
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C1651  C     0.69776   0.45025  -0.39537   0.00000  Uiso   1.00
C1652  C     0.70432   0.44849  -0.38918   0.00000  Uiso   1.00
C1653  C     0.71345   0.44961  -0.39148   0.00000  Uiso   1.00
C1654  C     0.71544   0.45360  -0.39990   0.00000  Uiso   1.00
C1655  C     0.70875   0.45527  -0.40604   0.00000  Uiso   1.00
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H1657  H     0.72240   0.45461  -0.40198   0.00000  Uiso   1.00
H1658  H     0.69078   0.44882  -0.39360   0.00000  Uiso   1.00
H1659  H     0.71059   0.45771  -0.41270   0.00000  Uiso   1.00
H1660  H     0.73823   0.34968  -0.36973   0.00000  Uiso   1.00
H1661  H     0.72384   0.35845  -0.29517   0.00000  Uiso   1.00
H1662  H     0.76832   0.44401  -0.39461   0.00000  Uiso   1.00
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C1665  C     0.72930   0.42882  -0.36142   0.00000  Uiso   1.00
C1666  C     0.72730   0.42421  -0.35371   0.00000  Uiso   1.00
C1667  C     0.71847   0.42365  -0.35064   0.00000  Uiso   1.00
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C1669  C     0.71351   0.43246  -0.36325   0.00000  Uiso   1.00
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H1672  H     0.70474   0.42757  -0.35307   0.00000  Uiso   1.00
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C1675  C     0.74177   0.57376  -0.28049   0.00000  Uiso   1.00
C1676  C     0.73797   0.56761  -0.28615   0.00000  Uiso   1.00
C1677  C     0.74331   0.56247  -0.29189   0.00000  Uiso   1.00
C1678  C     0.75256   0.56398  -0.29210   0.00000  Uiso   1.00
C1679  C     0.75648   0.57017  -0.28654   0.00000  Uiso   1.00
H1680  H     0.73741   0.57757  -0.27599   0.00000  Uiso   1.00
H1681  H     0.73067   0.56685  -0.28611   0.00000  Uiso   1.00
H1682  H     0.75679   0.56011  -0.29669   0.00000  Uiso   1.00
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N1921  N     0.59904   0.59460  -0.53585   0.00000  Uiso   1.00
C1922  C     0.59380   0.59347  -0.52861   0.00000  Uiso   1.00
N1923  N     0.58498   0.59517  -0.52819   0.00000  Uiso   1.00
H1924  H     0.57020   0.59602  -0.52197   0.00000  Uiso   1.00
H1925  H     0.57222   0.60545  -0.54961   0.00000  Uiso   1.00
H1926  H     0.55452   0.60109  -0.52162   0.00000  Uiso   1.00
H1927  H     0.55654   0.61035  -0.54887   0.00000  Uiso   1.00
C1928  C     0.60970   0.60269  -0.56611   0.00000  Uiso   1.00
C1929  C     0.60059   0.60472  -0.56599   0.00000  Uiso   1.00
C1930  C     0.59556   0.60312  -0.55841   0.00000  Uiso   1.00
C1931  C     0.59972   0.59942  -0.55068   0.00000  Uiso   1.00
C1932  C     0.60902   0.59743  -0.55091   0.00000  Uiso   1.00
C1933  C     0.61387   0.59905  -0.55859   0.00000  Uiso   1.00
H1934  H     0.58842   0.60482  -0.55843   0.00000  Uiso   1.00
H1935  H     0.61241   0.59459  -0.54506   0.00000  Uiso   1.00
H1936  H     0.59740   0.60759  -0.57192   0.00000  Uiso   1.00
H1937  H     0.62104   0.59750  -0.55880   0.00000  Uiso   1.00
C1938  C     0.58513   0.61846  -0.44115   0.00000  Uiso   1.00
C1939  C     0.58407   0.61086  -0.43583   0.00000  Uiso   1.00
C1940  C     0.58614   0.60251  -0.43919   0.00000  Uiso   1.00
C1941  C     0.58931   0.60161  -0.44812   0.00000  Uiso   1.00
C1942  C     0.59030   0.60943  -0.45345   0.00000  Uiso   1.00
C1943  C     0.58828   0.61771  -0.44991   0.00000  Uiso   1.00
H1944  H     0.58541   0.59664  -0.43487   0.00000  Uiso   1.00
H1945  H     0.59287   0.60900  -0.46029   0.00000  Uiso   1.00
H1946  H     0.58161   0.61155  -0.42897   0.00000  Uiso   1.00
H1947  H     0.58915   0.62372  -0.45401   0.00000  Uiso   1.00
C1948  C     0.59769   0.58502  -0.46265   0.00000  Uiso   1.00
N1949  N     0.59764   0.57754  -0.45765   0.00000  Uiso   1.00
C1950  C     0.59421   0.57858  -0.44939   0.00000  Uiso   1.00
N1951  N     0.59115   0.58629  -0.44594   0.00000  Uiso   1.00
C1952  C     0.59176   0.59336  -0.45146   0.00000  Uiso   1.00
N1953  N     0.59488   0.59311  -0.45991   0.00000  Uiso   1.00
C1954  C     0.59402   0.55615  -0.43259   0.00000  Uiso   1.00
C1955  C     0.59800   0.55572  -0.44109   0.00000  Uiso   1.00
C1956  C     0.59792   0.56299  -0.44671   0.00000  Uiso   1.00
C1957  C     0.59402   0.57116  -0.44391   0.00000  Uiso   1.00
C1958  C     0.59017   0.57160  -0.43524   0.00000  Uiso   1.00
C1959  C     0.59021   0.56423  -0.42976   0.00000  Uiso   1.00
H1960  H     0.60114   0.56243  -0.45328   0.00000  Uiso   1.00
H1961  H     0.58706   0.57780  -0.43285   0.00000  Uiso   1.00
H1962  H     0.60130   0.54960  -0.44344   0.00000  Uiso   1.00
H1963  H     0.58706   0.56469  -0.42315   0.00000  Uiso   1.00
H1964  H     0.54778   0.60847  -0.53486   0.00000  Uiso   1.00
H1965  H     0.61366   0.60401  -0.57213   0.00000  Uiso   1.00
H1966  H     0.58351   0.62508  -0.43845   0.00000  Uiso   1.00
O1967  O     0.61050   0.58161  -0.49749   0.00000  Uiso   1.00
C1968  C     0.60088   0.58431  -0.47129   0.00000  Uiso   1.00
C1969  C     0.60067   0.59171  -0.47723   0.00000  Uiso   1.00
C1970  C     0.60368   0.59086  -0.48589   0.00000  Uiso   1.00
C1971  C     0.60708   0.58269  -0.48899   0.00000  Uiso   1.00
C1972  C     0.60754   0.57543  -0.48309   0.00000  Uiso   1.00
C1973  C     0.60442   0.57609  -0.47448   0.00000  Uiso   1.00
H1974  H     0.59799   0.59815  -0.47501   0.00000  Uiso   1.00
H1975  H     0.60346   0.59671  -0.49030   0.00000  Uiso   1.00
H1976  H     0.61037   0.56906  -0.48540   0.00000  Uiso   1.00
H1977  H     0.60476   0.57021  -0.47012   0.00000  Uiso   1.00
C1978  C     0.58449   0.72697  -0.48231   0.00000  Uiso   1.00
C1979  C     0.57703   0.72449  -0.47699   0.00000  Uiso   1.00
C1980  C     0.57822   0.71977  -0.46921   0.00000  Uiso   1.00
C1981  C     0.58684   0.71751  -0.46628   0.00000  Uiso   1.00
C1982  C     0.59424   0.72005  -0.47145   0.00000  Uiso   1.00
C1983  C     0.59318   0.72473  -0.47927   0.00000  Uiso   1.00
H1984  H     0.57020   0.72603  -0.47917   0.00000  Uiso   1.00
H1985  H     0.57226   0.71771  -0.46544   0.00000  Uiso   1.00
H1986  H     0.60102   0.71828  -0.46926   0.00000  Uiso   1.00
H1987  H     0.59912   0.72650  -0.48319   0.00000  Uiso   1.00
C1988  C     0.54834   0.74341  -0.50948   0.00000  Uiso   1.00
C1989  C     0.54960   0.73946  -0.50112   0.00000  Uiso   1.00
C1990  C     0.55808   0.73717  -0.49829   0.00000  Uiso   1.00
C1991  C     0.56559   0.73891  -0.50389   0.00000  Uiso   1.00
C1992  C     0.56418   0.74291  -0.51241   0.00000  Uiso   1.00
C1993  C     0.55562   0.74511  -0.51507   0.00000  Uiso   1.00
C1994  C     0.57410   0.73683  -0.50101   0.00000  Uiso   1.00
N1995  N     0.58096   0.73883  -0.50649   0.00000  Uiso   1.00
C1996  C     0.58909   0.73671  -0.50327   0.00000  Uiso   1.00
N1997  N     0.59066   0.73284  -0.49530   0.00000  Uiso   1.00
C1998  C     0.58330   0.73111  -0.49045   0.00000  Uiso   1.00
N1999  N     0.57486   0.73295  -0.49294   0.00000  Uiso   1.00
H2000  H     0.55892   0.73409  -0.49169   0.00000  Uiso   1.00
H2001  H     0.56980   0.74429  -0.51691   0.00000  Uiso   1.00
H2002  H     0.54381   0.73819  -0.49679   0.00000  Uiso   1.00
H2003  H     0.55451   0.74822  -0.52161   0.00000  Uiso   1.00
C2004  C     0.61143   0.74211  -0.51910   0.00000  Uiso   1.00
C2005  C     0.60291   0.74433  -0.52221   0.00000  Uiso   1.00
C2006  C     0.59544   0.74258  -0.51708   0.00000  Uiso   1.00
C2007  C     0.59644   0.73853  -0.50853   0.00000  Uiso   1.00
C2008  C     0.60518   0.73631  -0.50546   0.00000  Uiso   1.00
C2009  C     0.61253   0.73810  -0.51075   0.00000  Uiso   1.00
H2010  H     0.58880   0.74436  -0.51965   0.00000  Uiso   1.00
H2011  H     0.60620   0.73317  -0.49891   0.00000  Uiso   1.00
H2012  H     0.60219   0.74751  -0.52877   0.00000  Uiso   1.00
H2013  H     0.61926   0.73639  -0.50839   0.00000  Uiso   1.00
C2014  C     0.53902   0.73871  -0.41400   0.00000  Uiso   1.00
C2015  C     0.53582   0.73029  -0.41155   0.00000  Uiso   1.00
C2016  C     0.53971   0.72266  -0.41498   0.00000  Uiso   1.00
C2017  C     0.54700   0.72338  -0.42106   0.00000  Uiso   1.00
C2018  C     0.55021   0.73201  -0.42347   0.00000  Uiso   1.00
C2019  C     0.54620   0.73953  -0.41992   0.00000  Uiso   1.00
H2020  H     0.53709   0.71611  -0.41299   0.00000  Uiso   1.00
H2021  H     0.55582   0.73278  -0.42812   0.00000  Uiso   1.00
H2022  H     0.53020   0.72973  -0.40687   0.00000  Uiso   1.00
H2023  H     0.54864   0.74619  -0.42177   0.00000  Uiso   1.00
C2024  C     0.56111   0.70919  -0.43356   0.00000  Uiso   1.00
N2025  N     0.55828   0.70091  -0.43144   0.00000  Uiso   1.00
C2026  C     0.55138   0.70069  -0.42563   0.00000  Uiso   1.00
N2027  N     0.54742   0.70789  -0.42201   0.00000  Uiso   1.00
C2028  C     0.55085   0.71580  -0.42459   0.00000  Uiso   1.00
N2029  N     0.55766   0.71687  -0.43034   0.00000  Uiso   1.00
C2030  C     0.54006   0.67577  -0.41933   0.00000  Uiso   1.00
C2031  C     0.54764   0.67637  -0.42486   0.00000  Uiso   1.00
C2032  C     0.55160   0.68445  -0.42675   0.00000  Uiso   1.00
C2033  C     0.54796   0.69245  -0.42322   0.00000  Uiso   1.00
C2034  C     0.54037   0.69177  -0.41751   0.00000  Uiso   1.00
C2035  C     0.53645   0.68363  -0.41577   0.00000  Uiso   1.00
H2036  H     0.55742   0.68461  -0.43120   0.00000  Uiso   1.00
H2037  H     0.53728   0.69781  -0.41473   0.00000  Uiso   1.00
H2038  H     0.55048   0.67027  -0.42779   0.00000  Uiso   1.00
H2039  H     0.53033   0.68345  -0.41175   0.00000  Uiso   1.00
H2040  H     0.54158   0.74517  -0.51168   0.00000  Uiso   1.00
H2041  H     0.61733   0.74351  -0.52323   0.00000  Uiso   1.00
H2042  H     0.53589   0.74474  -0.41125   0.00000  Uiso   1.00
O2043  O     0.58844   0.71258  -0.45865   0.00000  Uiso   1.00
C2044  C     0.56807   0.70998  -0.43958   0.00000  Uiso   1.00
C2045  C     0.57125   0.71857  -0.44213   0.00000  Uiso   1.00
C2046  C     0.57793   0.71941  -0.44838   0.00000  Uiso   1.00
C2047  C     0.58173   0.71183  -0.45237   0.00000  Uiso   1.00
C2048  C     0.57883   0.70332  -0.44971   0.00000  Uiso   1.00
C2049  C     0.57212   0.70233  -0.44350   0.00000  Uiso   1.00
H2050  H     0.56837   0.72465  -0.43922   0.00000  Uiso   1.00
H2051  H     0.58026   0.72611  -0.45021   0.00000  Uiso   1.00
H2052  H     0.58183   0.69733  -0.45273   0.00000  Uiso   1.00
H2053  H     0.56988   0.69559  -0.44172   0.00000  Uiso   1.00
C2054  C     0.49744   0.81229  -0.51371   0.00000  Uiso   1.00
C2055  C     0.50492   0.80649  -0.51290   0.00000  Uiso   1.00
C2056  C     0.50650   0.80002  -0.51923   0.00000  Uiso   1.00
C2057  C     0.50075   0.79902  -0.52657   0.00000  Uiso   1.00
C2058  C     0.49324   0.80457  -0.52730   0.00000  Uiso   1.00
C2059  C     0.49160   0.81113  -0.52109   0.00000  Uiso   1.00
H2060  H     0.50951   0.80709  -0.50721   0.00000  Uiso   1.00
H2061  H     0.51227   0.79556  -0.51835   0.00000  Uiso   1.00
H2062  H     0.48863   0.80374  -0.53297   0.00000  Uiso   1.00
H2063  H     0.48573   0.81544  -0.52195   0.00000  Uiso   1.00
C2064  C     0.51780   0.82999  -0.47377   0.00000  Uiso   1.00
C2065  C     0.51919   0.82303  -0.47985   0.00000  Uiso   1.00
C2066  C     0.51331   0.82173  -0.48685   0.00000  Uiso   1.00
C2067  C     0.50578   0.82748  -0.48786   0.00000  Uiso   1.00
C2068  C     0.50449   0.83455  -0.48162   0.00000  Uiso   1.00
C2069  C     0.51048   0.83571  -0.47469   0.00000  Uiso   1.00
C2070  C     0.49988   0.82625  -0.49483   0.00000  Uiso   1.00
N2071  N     0.49282   0.83179  -0.49533   0.00000  Uiso   1.00
C2072  C     0.48740   0.83036  -0.50237   0.00000  Uiso   1.00
N2073  N     0.48869   0.82413  -0.50874   0.00000  Uiso   1.00
C2074  C     0.49589   0.81891  -0.50746   0.00000  Uiso   1.00
N2075  N     0.50168   0.81961  -0.50062   0.00000  Uiso   1.00
H2076  H     0.51453   0.81627  -0.49157   0.00000  Uiso   1.00
H2077  H     0.49883   0.83917  -0.48230   0.00000  Uiso   1.00
H2078  H     0.52494   0.81857  -0.47903   0.00000  Uiso   1.00
H2079  H     0.50948   0.84110  -0.46983   0.00000  Uiso   1.00
C2080  C     0.46406   0.84553  -0.50395   0.00000  Uiso   1.00
C2081  C     0.47002   0.84695  -0.49691   0.00000  Uiso   1.00
C2082  C     0.47788   0.84213  -0.49643   0.00000  Uiso   1.00
C2083  C     0.47988   0.83564  -0.50309   0.00000  Uiso   1.00
C2084  C     0.47380   0.83441  -0.51031   0.00000  Uiso   1.00
C2085  C     0.46596   0.83928  -0.51062   0.00000  Uiso   1.00
H2086  H     0.48239   0.84320  -0.49074   0.00000  Uiso   1.00
H2087  H     0.47514   0.82950  -0.51559   0.00000  Uiso   1.00
H2088  H     0.46843   0.85189  -0.49175   0.00000  Uiso   1.00
H2089  H     0.46122   0.83827  -0.51611   0.00000  Uiso   1.00
C2090  C     0.56939   0.80917  -0.54316   0.00000  Uiso   1.00
C2091  C     0.57254   0.80043  -0.54411   0.00000  Uiso   1.00
C2092  C     0.56670   0.79329  -0.54371   0.00000  Uiso   1.00
C2093  C     0.55743   0.79483  -0.54229   0.00000  Uiso   1.00
C2094  C     0.55433   0.80379  -0.54139   0.00000  Uiso   1.00
C2095  C     0.56030   0.81081  -0.54179   0.00000  Uiso   1.00
H2096  H     0.56930   0.78650  -0.54451   0.00000  Uiso   1.00
H2097  H     0.54724   0.80522  -0.54025   0.00000  Uiso   1.00
H2098  H     0.57969   0.79923  -0.54517   0.00000  Uiso   1.00
H2099  H     0.55790   0.81769  -0.54097   0.00000  Uiso   1.00
C2100  C     0.53722   0.78283  -0.54035   0.00000  Uiso   1.00
N2101  N     0.53964   0.77417  -0.54088   0.00000  Uiso   1.00
C2102  C     0.54854   0.77290  -0.54177   0.00000  Uiso   1.00
N2103  N     0.55476   0.77943  -0.54223   0.00000  Uiso   1.00
C2104  C     0.55149   0.78778  -0.54178   0.00000  Uiso   1.00
N2105  N     0.54284   0.78984  -0.54079   0.00000  Uiso   1.00
C2106  C     0.55853   0.74669  -0.54043   0.00000  Uiso   1.00
C2107  C     0.54929   0.74813  -0.54109   0.00000  Uiso   1.00
C2108  C     0.54590   0.75668  -0.54178   0.00000  Uiso   1.00
C2109  C     0.55171   0.76421  -0.54201   0.00000  Uiso   1.00
C2110  C     0.56108   0.76259  -0.54187   0.00000  Uiso   1.00
C2111  C     0.56430   0.75406  -0.54083   0.00000  Uiso   1.00
H2112  H     0.53863   0.75759  -0.54192   0.00000  Uiso   1.00
H2113  H     0.56585   0.76816  -0.54198   0.00000  Uiso   1.00
H2114  H     0.54462   0.74246  -0.54077   0.00000  Uiso   1.00
H2115  H     0.57156   0.75305  -0.54033   0.00000  Uiso   1.00
H2116  H     0.52249   0.83097  -0.46823   0.00000  Uiso   1.00
H2117  H     0.45782   0.84937  -0.50427   0.00000  Uiso   1.00
H2118  H     0.57411   0.81477  -0.54347   0.00000  Uiso   1.00
O2119  O     0.50202   0.79251  -0.53297   0.00000  Uiso   1.00
C2120  C     0.52834   0.78501  -0.53907   0.00000  Uiso   1.00
C2121  C     0.52591   0.79417  -0.53836   0.00000  Uiso   1.00
C2122  C     0.51730   0.79661  -0.53637   0.00000  Uiso   1.00
C2123  C     0.51069   0.79013  -0.53505   0.00000  Uiso   1.00
C2124  C     0.51290   0.78107  -0.53611   0.00000  Uiso   1.00
C2125  C     0.52153   0.77847  -0.53803   0.00000  Uiso   1.00
H2126  H     0.53090   0.79948  -0.53918   0.00000  Uiso   1.00
H2127  H     0.51573   0.80376  -0.53586   0.00000  Uiso   1.00
H2128  H     0.50771   0.77595  -0.53521   0.00000  Uiso   1.00
H2129  H     0.52310   0.77133  -0.53851   0.00000  Uiso   1.00
C2130  C     0.53988   0.70068  -0.70369   0.00000  Uiso   1.00
C2131  C     0.54048   0.70427  -0.69493   0.00000  Uiso   1.00
C2132  C     0.54620   0.70059  -0.68875   0.00000  Uiso   1.00
C2133  C     0.55166   0.69331  -0.69105   0.00000  Uiso   1.00
C2134  C     0.55119   0.68983  -0.69975   0.00000  Uiso   1.00
C2135  C     0.54550   0.69340  -0.70600   0.00000  Uiso   1.00
H2136  H     0.53622   0.70988  -0.69289   0.00000  Uiso   1.00
H2137  H     0.54626   0.70344  -0.68199   0.00000  Uiso   1.00
H2138  H     0.55542   0.68412  -0.70163   0.00000  Uiso   1.00
H2139  H     0.54524   0.69042  -0.71270   0.00000  Uiso   1.00
C2140  C     0.50543   0.73446  -0.70615   0.00000  Uiso   1.00
C2141  C     0.51180   0.73147  -0.70002   0.00000  Uiso   1.00
C2142  C     0.51748   0.72453  -0.70219   0.00000  Uiso   1.00
C2143  C     0.51686   0.72043  -0.71077   0.00000  Uiso   1.00
C2144  C     0.51034   0.72357  -0.71694   0.00000  Uiso   1.00
C2145  C     0.50472   0.73050  -0.71457   0.00000  Uiso   1.00
C2146  C     0.52248   0.71350  -0.71311   0.00000  Uiso   1.00
N2147  N     0.52148   0.71002  -0.72135   0.00000  Uiso   1.00
C2148  C     0.52708   0.70327  -0.72331   0.00000  Uiso   1.00
N2149  N     0.53334   0.69997  -0.71776   0.00000  Uiso   1.00
C2150  C     0.53370   0.70395  -0.70971   0.00000  Uiso   1.00
N2151  N     0.52847   0.71073  -0.70699   0.00000  Uiso   1.00
H2152  H     0.52243   0.72227  -0.69728   0.00000  Uiso   1.00
H2153  H     0.50966   0.72056  -0.72359   0.00000  Uiso   1.00
H2154  H     0.51223   0.73469  -0.69345   0.00000  Uiso   1.00
H2155  H     0.49968   0.73291  -0.71932   0.00000  Uiso   1.00
C2156  C     0.52470   0.69122  -0.74835   0.00000  Uiso   1.00
C2157  C     0.51912   0.69837  -0.74610   0.00000  Uiso   1.00
C2158  C     0.51986   0.70245  -0.73785   0.00000  Uiso   1.00
C2159  C     0.52634   0.69936  -0.73162   0.00000  Uiso   1.00
C2160  C     0.53200   0.69208  -0.73403   0.00000  Uiso   1.00
C2161  C     0.53110   0.68811  -0.74231   0.00000  Uiso   1.00
H2162  H     0.51540   0.70803  -0.73621   0.00000  Uiso   1.00
H2163  H     0.53704   0.68952  -0.72937   0.00000  Uiso   1.00
H2164  H     0.51412   0.70073  -0.75091   0.00000  Uiso   1.00
H2165  H     0.53542   0.68248  -0.74417   0.00000  Uiso   1.00
C2166  C     0.58781   0.73785  -0.64269   0.00000  Uiso   1.00
C2167  C     0.58456   0.73405  -0.63481   0.00000  Uiso   1.00
C2168  C     0.57918   0.72655  -0.63515   0.00000  Uiso   1.00
C2169  C     0.57694   0.72270  -0.64356   0.00000  Uiso   1.00
C2170  C     0.58038   0.72662  -0.65152   0.00000  Uiso   1.00
C2171  C     0.58570   0.73414  -0.65099   0.00000  Uiso   1.00
H2172  H     0.57664   0.72370  -0.62889   0.00000  Uiso   1.00
H2173  H     0.57875   0.72383  -0.65810   0.00000  Uiso   1.00
H2174  H     0.58624   0.73703  -0.62833   0.00000  Uiso   1.00
H2175  H     0.58829   0.73721  -0.65711   0.00000  Uiso   1.00
C2176  C     0.56381   0.70498  -0.65197   0.00000  Uiso   1.00
N2177  N     0.56010   0.70137  -0.64459   0.00000  Uiso   1.00
C2178  C     0.56256   0.70529  -0.63683   0.00000  Uiso   1.00
N2179  N     0.56824   0.71221  -0.63614   0.00000  Uiso   1.00
C2180  C     0.57134   0.71539  -0.64395   0.00000  Uiso   1.00
N2181  N     0.56936   0.71207  -0.65206   0.00000  Uiso   1.00
C2182  C     0.55124   0.69639  -0.61257   0.00000  Uiso   1.00
C2183  C     0.54850   0.69285  -0.62086   0.00000  Uiso   1.00
C2184  C     0.55231   0.69541  -0.62882   0.00000  Uiso   1.00
C2185  C     0.55900   0.70212  -0.62889   0.00000  Uiso   1.00
C2186  C     0.56176   0.70567  -0.62049   0.00000  Uiso   1.00
C2187  C     0.55810   0.70274  -0.61255   0.00000  Uiso   1.00
H2188  H     0.54992   0.69243  -0.63509   0.00000  Uiso   1.00
H2189  H     0.56700   0.71079  -0.62023   0.00000  Uiso   1.00
H2190  H     0.54320   0.68775  -0.62103   0.00000  Uiso   1.00
H2191  H     0.56080   0.70547  -0.60633   0.00000  Uiso   1.00
H2192  H     0.50095   0.73997  -0.70433   0.00000  Uiso   1.00
H2193  H     0.52404   0.68802  -0.75491   0.00000  Uiso   1.00
H2194  H     0.59206   0.74382  -0.64235   0.00000  Uiso   1.00
O2195  O     0.55738   0.68919  -0.68510   0.00000  Uiso   1.00
C2196  C     0.56190   0.70119  -0.66019   0.00000  Uiso   1.00
C2197  C     0.56558   0.70489  -0.66815   0.00000  Uiso   1.00
C2198  C     0.56405   0.70094  -0.67629   0.00000  Uiso   1.00
C2199  C     0.55880   0.69321  -0.67694   0.00000  Uiso   1.00
C2200  C     0.55519   0.68945  -0.66915   0.00000  Uiso   1.00
C2201  C     0.55656   0.69337  -0.66094   0.00000  Uiso   1.00
H2202  H     0.56978   0.71091  -0.66791   0.00000  Uiso   1.00
H2203  H     0.56702   0.70387  -0.68233   0.00000  Uiso   1.00
H2204  H     0.55114   0.68335  -0.66959   0.00000  Uiso   1.00
H2205  H     0.55367   0.69025  -0.65497   0.00000  Uiso   1.00
C2206  C     0.40850   0.63915  -0.65544   0.00000  Uiso   1.00
C2207  C     0.41473   0.63407  -0.65040   0.00000  Uiso   1.00
C2208  C     0.41798   0.63722  -0.64239   0.00000  Uiso   1.00
C2209  C     0.41494   0.64538  -0.63891   0.00000  Uiso   1.00
C2210  C     0.40852   0.65026  -0.64371   0.00000  Uiso   1.00
C2211  C     0.40524   0.64726  -0.65175   0.00000  Uiso   1.00
H2212  H     0.41742   0.62779  -0.65305   0.00000  Uiso   1.00
H2213  H     0.42310   0.63326  -0.63895   0.00000  Uiso   1.00
H2214  H     0.40608   0.65666  -0.64105   0.00000  Uiso   1.00
H2215  H     0.40040   0.65141  -0.65537   0.00000  Uiso   1.00
C2216  C     0.41908   0.60439  -0.68719   0.00000  Uiso   1.00
C2217  C     0.42118   0.60663  -0.67837   0.00000  Uiso   1.00
C2218  C     0.41731   0.61401  -0.67439   0.00000  Uiso   1.00
C2219  C     0.41118   0.61938  -0.67932   0.00000  Uiso   1.00
C2220  C     0.40906   0.61694  -0.68828   0.00000  Uiso   1.00
C2221  C     0.41305   0.60954  -0.69210   0.00000  Uiso   1.00
C2222  C     0.40754   0.62699  -0.67560   0.00000  Uiso   1.00
N2223  N     0.40211   0.63192  -0.68083   0.00000  Uiso   1.00
C2224  C     0.39898   0.63944  -0.67703   0.00000  Uiso   1.00
N2225  N     0.40077   0.64210  -0.66861   0.00000  Uiso   1.00
C2226  C     0.40621   0.63662  -0.66402   0.00000  Uiso   1.00
N2227  N     0.40984   0.62900  -0.66714   0.00000  Uiso   1.00
H2228  H     0.41917   0.61573  -0.66751   0.00000  Uiso   1.00
H2229  H     0.40435   0.62091  -0.69224   0.00000  Uiso   1.00
H2230  H     0.42594   0.60252  -0.67461   0.00000  Uiso   1.00
H2231  H     0.41148   0.60771  -0.69902   0.00000  Uiso   1.00
C2232  C     0.38528   0.65747  -0.69327   0.00000  Uiso   1.00
C2233  C     0.38771   0.64911  -0.69667   0.00000  Uiso   1.00
C2234  C     0.39190   0.64291  -0.69126   0.00000  Uiso   1.00
C2235  C     0.39386   0.64510  -0.68221   0.00000  Uiso   1.00
C2236  C     0.39110   0.65355  -0.67879   0.00000  Uiso   1.00
C2237  C     0.38698   0.65965  -0.68436   0.00000  Uiso   1.00
H2238  H     0.39391   0.63647  -0.69413   0.00000  Uiso   1.00
H2239  H     0.39258   0.65551  -0.67187   0.00000  Uiso   1.00
H2240  H     0.38631   0.64749  -0.70368   0.00000  Uiso   1.00
H2241  H     0.38502   0.66624  -0.68179   0.00000  Uiso   1.00
C2242  C     0.42645   0.59668  -0.58417   0.00000  Uiso   1.00
C2243  C     0.43495   0.59936  -0.58139   0.00000  Uiso   1.00
C2244  C     0.43896   0.60678  -0.58513   0.00000  Uiso   1.00
C2245  C     0.43449   0.61159  -0.59201   0.00000  Uiso   1.00
C2246  C     0.42578   0.60885  -0.59468   0.00000  Uiso   1.00
C2247  C     0.42189   0.60145  -0.59077   0.00000  Uiso   1.00
H2248  H     0.44563   0.60876  -0.58283   0.00000  Uiso   1.00
H2249  H     0.42213   0.61249  -0.59990   0.00000  Uiso   1.00
H2250  H     0.43846   0.59553  -0.57623   0.00000  Uiso   1.00
H2251  H     0.41524   0.59927  -0.59292   0.00000  Uiso   1.00
C2252  C     0.43846   0.62964  -0.60665   0.00000  Uiso   1.00
N2253  N     0.44674   0.63244  -0.60447   0.00000  Uiso   1.00
C2254  C     0.45064   0.62777  -0.59780   0.00000  Uiso   1.00
N2255  N     0.44688   0.62089  -0.59339   0.00000  Uiso   1.00
C2256  C     0.43864   0.61866  -0.59621   0.00000  Uiso   1.00
N2257  N     0.43416   0.62272  -0.60283   0.00000  Uiso   1.00
C2258  C     0.47622   0.63526  -0.58867   0.00000  Uiso   1.00
C2259  C     0.47246   0.63919  -0.59635   0.00000  Uiso   1.00
C2260  C     0.46414   0.63684  -0.59947   0.00000  Uiso   1.00
C2261  C     0.45915   0.63013  -0.59503   0.00000  Uiso   1.00
C2262  C     0.46311   0.62599  -0.58740   0.00000  Uiso   1.00
C2263  C     0.47134   0.62864  -0.58421   0.00000  Uiso   1.00
H2264  H     0.46144   0.64019  -0.60541   0.00000  Uiso   1.00
H2265  H     0.45945   0.62083  -0.58369   0.00000  Uiso   1.00
H2266  H     0.47619   0.64441  -0.59994   0.00000  Uiso   1.00
H2267  H     0.47384   0.62551  -0.57808   0.00000  Uiso   1.00
H2268  H     0.42220   0.59852  -0.69028   0.00000  Uiso   1.00
H2269  H     0.38208   0.66239  -0.69767   0.00000  Uiso   1.00
H2270  H     0.42337   0.59078  -0.58109   0.00000  Uiso   1.00
O2271  O     0.41819   0.64912  -0.63113   0.00000  Uiso   1.00
C2272  C     0.43376   0.63419  -0.61319   0.00000  Uiso   1.00
C2273  C     0.42504   0.63129  -0.61565   0.00000  Uiso   1.00
C2274  C     0.41995   0.63614  -0.62157   0.00000  Uiso   1.00
C2275  C     0.42329   0.64401  -0.62539   0.00000  Uiso   1.00
C2276  C     0.43188   0.64694  -0.62303   0.00000  Uiso   1.00
C2277  C     0.43712   0.64210  -0.61721   0.00000  Uiso   1.00
H2278  H     0.42217   0.62521  -0.61271   0.00000  Uiso   1.00
H2279  H     0.41320   0.63379  -0.62320   0.00000  Uiso   1.00
H2280  H     0.43452   0.65315  -0.62591   0.00000  Uiso   1.00
H2281  H     0.44378   0.64463  -0.61547   0.00000  Uiso   1.00
C2282  C     0.32268   0.62299  -0.70991   0.00000  Uiso   1.00
C2283  C     0.32990   0.62373  -0.70380   0.00000  Uiso   1.00
C2284  C     0.32940   0.62947  -0.69664   0.00000  Uiso   1.00
C2285  C     0.32166   0.63454  -0.69514   0.00000  Uiso   1.00
C2286  C     0.31454   0.63391  -0.70121   0.00000  Uiso   1.00
C2287  C     0.31495   0.62829  -0.70846   0.00000  Uiso   1.00
H2288  H     0.33602   0.61981  -0.70478   0.00000  Uiso   1.00
H2289  H     0.33526   0.63003  -0.69224   0.00000  Uiso   1.00
H2290  H     0.30849   0.63795  -0.70016   0.00000  Uiso   1.00
H2291  H     0.30923   0.62795  -0.71304   0.00000  Uiso   1.00
C2292  C     0.35294   0.59005  -0.72777   0.00000  Uiso   1.00
C2293  C     0.35251   0.59597  -0.72057   0.00000  Uiso   1.00
C2294  C     0.34532   0.60171  -0.71968   0.00000  Uiso   1.00
C2295  C     0.33828   0.60151  -0.72609   0.00000  Uiso   1.00
C2296  C     0.33887   0.59546  -0.73341   0.00000  Uiso   1.00
C2297  C     0.34613   0.58981  -0.73415   0.00000  Uiso   1.00
C2298  C     0.33088   0.60692  -0.72508   0.00000  Uiso   1.00
N2299  N     0.32439   0.60626  -0.73127   0.00000  Uiso   1.00
C2300  C     0.31725   0.61154  -0.72981   0.00000  Uiso   1.00
N2301  N     0.31628   0.61715  -0.72285   0.00000  Uiso   1.00
C2302  C     0.32324   0.61731  -0.71715   0.00000  Uiso   1.00
N2303  N     0.33070   0.61237  -0.71793   0.00000  Uiso   1.00
H2304  H     0.34509   0.60626  -0.71394   0.00000  Uiso   1.00
H2305  H     0.33356   0.59511  -0.73845   0.00000  Uiso   1.00
H2306  H     0.35789   0.59607  -0.71559   0.00000  Uiso   1.00
H2307  H     0.34655   0.58513  -0.73976   0.00000  Uiso   1.00
C2308  C     0.29638   0.61042  -0.74829   0.00000  Uiso   1.00
C2309  C     0.30397   0.60512  -0.74955   0.00000  Uiso   1.00
C2310  C     0.31092   0.60541  -0.74348   0.00000  Uiso   1.00
C2311  C     0.31035   0.61116  -0.73591   0.00000  Uiso   1.00
C2312  C     0.30257   0.61652  -0.73474   0.00000  Uiso   1.00
C2313  C     0.29571   0.61609  -0.74091   0.00000  Uiso   1.00
H2314  H     0.31682   0.60121  -0.74459   0.00000  Uiso   1.00
H2315  H     0.30191   0.62102  -0.72899   0.00000  Uiso   1.00
H2316  H     0.30440   0.60071  -0.75538   0.00000  Uiso   1.00
H2317  H     0.28970   0.62020  -0.74002   0.00000  Uiso   1.00
C2318  C     0.35109   0.60210  -0.63621   0.00000  Uiso   1.00
C2319  C     0.35681   0.60896  -0.63348   0.00000  Uiso   1.00
C2320  C     0.35648   0.61721  -0.63760   0.00000  Uiso   1.00
C2321  C     0.35027   0.61876  -0.64464   0.00000  Uiso   1.00
C2322  C     0.34454   0.61168  -0.64739   0.00000  Uiso   1.00
C2323  C     0.34500   0.60349  -0.64315   0.00000  Uiso   1.00
H2324  H     0.36103   0.62249  -0.63533   0.00000  Uiso   1.00
H2325  H     0.33968   0.61262  -0.65280   0.00000  Uiso   1.00
H2326  H     0.36158   0.60779  -0.62804   0.00000  Uiso   1.00
H2327  H     0.34058   0.59803  -0.64520   0.00000  Uiso   1.00
C2328  C     0.34362   0.63640  -0.65887   0.00000  Uiso   1.00
N2329  N     0.34875   0.64334  -0.65631   0.00000  Uiso   1.00
C2330  C     0.35454   0.64141  -0.64967   0.00000  Uiso   1.00
N2331  N     0.35535   0.63341  -0.64563   0.00000  Uiso   1.00
C2332  C     0.34976   0.62706  -0.64864   0.00000  Uiso   1.00
N2333  N     0.34376   0.62817  -0.65522   0.00000  Uiso   1.00
C2334  C     0.37023   0.66193  -0.63891   0.00000  Uiso   1.00
C2335  C     0.36434   0.66374  -0.64599   0.00000  Uiso   1.00
C2336  C     0.35941   0.65700  -0.64985   0.00000  Uiso   1.00
C2337  C     0.36008   0.64812  -0.64659   0.00000  Uiso   1.00
C2338  C     0.36633   0.64632  -0.63966   0.00000  Uiso   1.00
C2339  C     0.37130   0.65311  -0.63598   0.00000  Uiso   1.00
H2340  H     0.35468   0.65869  -0.65519   0.00000  Uiso   1.00
H2341  H     0.36710   0.63954  -0.63696   0.00000  Uiso   1.00
H2342  H     0.36360   0.67060  -0.64849   0.00000  Uiso   1.00
H2343  H     0.37598   0.65157  -0.63054   0.00000  Uiso   1.00
H2344  H     0.35870   0.58555  -0.72839   0.00000  Uiso   1.00
H2345  H     0.29090   0.61013  -0.75315   0.00000  Uiso   1.00
H2346  H     0.35138   0.59557  -0.63289   0.00000  Uiso   1.00
O2347  O     0.32080   0.64043  -0.68809   0.00000  Uiso   1.00
C2348  C     0.33771   0.63759  -0.66588   0.00000  Uiso   1.00
C2349  C     0.33261   0.63024  -0.66907   0.00000  Uiso   1.00
C2350  C     0.32711   0.63115  -0.67636   0.00000  Uiso   1.00
C2351  C     0.32630   0.63939  -0.68074   0.00000  Uiso   1.00
C2352  C     0.33102   0.64679  -0.67745   0.00000  Uiso   1.00
C2353  C     0.33672   0.64596  -0.67026   0.00000  Uiso   1.00
H2354  H     0.33316   0.62363  -0.66593   0.00000  Uiso   1.00
H2355  H     0.32336   0.62529  -0.67869   0.00000  Uiso   1.00
H2356  H     0.33030   0.65330  -0.68077   0.00000  Uiso   1.00
H2357  H     0.34052   0.65181  -0.66802   0.00000  Uiso   1.00
C2358  C     0.24426   0.83775  -0.72304   0.00000  Uiso   1.00
C2359  C     0.24666   0.83053  -0.71735   0.00000  Uiso   1.00
C2360  C     0.25472   0.83050  -0.71294   0.00000  Uiso   1.00
C2361  C     0.26064   0.83771  -0.71383   0.00000  Uiso   1.00
C2362  C     0.25830   0.84487  -0.71941   0.00000  Uiso   1.00
C2363  C     0.25030   0.84500  -0.72392   0.00000  Uiso   1.00
H2364  H     0.24221   0.82475  -0.71657   0.00000  Uiso   1.00
H2365  H     0.25644   0.82465  -0.70885   0.00000  Uiso   1.00
H2366  H     0.26294   0.85052  -0.72023   0.00000  Uiso   1.00
H2367  H     0.24874   0.85068  -0.72829   0.00000  Uiso   1.00
C2368  C     0.20659   0.80841  -0.72863   0.00000  Uiso   1.00
C2369  C     0.21448   0.80883  -0.72365   0.00000  Uiso   1.00
C2370  C     0.22012   0.81609  -0.72451   0.00000  Uiso   1.00
C2371  C     0.21790   0.82316  -0.73048   0.00000  Uiso   1.00
C2372  C     0.20982   0.82262  -0.73549   0.00000  Uiso   1.00
C2373  C     0.20430   0.81529  -0.73451   0.00000  Uiso   1.00
C2374  C     0.22352   0.83040  -0.73143   0.00000  Uiso   1.00
N2375  N     0.22104   0.83689  -0.73715   0.00000  Uiso   1.00
C2376  C     0.22684   0.84374  -0.73780   0.00000  Uiso   1.00
N2377  N     0.23459   0.84444  -0.73328   0.00000  Uiso   1.00
C2378  C     0.23636   0.83754  -0.72779   0.00000  Uiso   1.00
N2379  N     0.23110   0.83036  -0.72659   0.00000  Uiso   1.00
H2380  H     0.22629   0.81629  -0.72055   0.00000  Uiso   1.00
H2381  H     0.20792   0.82793  -0.74016   0.00000  Uiso   1.00
H2382  H     0.21619   0.80337  -0.71906   0.00000  Uiso   1.00
H2383  H     0.19810   0.81485  -0.73838   0.00000  Uiso   1.00
C2384  C     0.22058   0.86442  -0.75545   0.00000  Uiso   1.00
C2385  C     0.21473   0.85720  -0.75451   0.00000  Uiso   1.00
C2386  C     0.21669   0.85033  -0.74867   0.00000  Uiso   1.00
C2387  C     0.22473   0.85060  -0.74359   0.00000  Uiso   1.00
C2388  C     0.23062   0.85801  -0.74462   0.00000  Uiso   1.00
C2389  C     0.22849   0.86479  -0.75051   0.00000  Uiso   1.00
H2390  H     0.21202   0.84472  -0.74805   0.00000  Uiso   1.00
H2391  H     0.23686   0.85843  -0.74082   0.00000  Uiso   1.00
H2392  H     0.20855   0.85700  -0.75845   0.00000  Uiso   1.00
H2393  H     0.23302   0.87051  -0.75133   0.00000  Uiso   1.00
C2394  C     0.25532   0.81637  -0.64328   0.00000  Uiso   1.00
C2395  C     0.26333   0.81167  -0.64231   0.00000  Uiso   1.00
C2396  C     0.26925   0.81107  -0.64937   0.00000  Uiso   1.00
C2397  C     0.26721   0.81529  -0.65765   0.00000  Uiso   1.00
C2398  C     0.25900   0.82003  -0.65853   0.00000  Uiso   1.00
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H2402  H     0.26491   0.80847  -0.63593   0.00000  Uiso   1.00
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C2412  C     0.30127   0.80606  -0.67579   0.00000  Uiso   1.00
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C2488  C     0.38748   0.77099  -0.60412   0.00000  Uiso   1.00
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C2490  C     0.39028   0.78597  -0.60993   0.00000  Uiso   1.00
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H2495  H     0.38730   0.78803  -0.62376   0.00000  Uiso   1.00
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C2522  C     0.29684   0.74836  -0.48771   0.00000  Uiso   1.00
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C2599  C     0.49948   0.85907  -0.36013   0.00000  Uiso   1.00
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C2601  C     0.49206   0.86162  -0.34593   0.00000  Uiso   1.00
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H2610  H     0.48447   0.84236  -0.35559   0.00000  Uiso   1.00
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C2616  C     0.52784   0.88143  -0.37659   0.00000  Uiso   1.00
C2617  C     0.53277   0.88914  -0.37531   0.00000  Uiso   1.00
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H2621  H     0.53776   0.89118  -0.38027   0.00000  Uiso   1.00
C2622  C     0.51168   0.77065  -0.38657   0.00000  Uiso   1.00
C2623  C     0.50484   0.76848  -0.39255   0.00000  Uiso   1.00
C2624  C     0.50140   0.77491  -0.39819   0.00000  Uiso   1.00
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H3077  H     0.58487   0.60645  -0.81238   0.00000  Uiso   1.00
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C3079  C     0.59384   0.48812  -0.77307   0.00000  Uiso   1.00
C3080  C     0.58536   0.49176  -0.77273   0.00000  Uiso   1.00
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C3097  C     0.55352   0.49833  -0.76942   0.00000  Uiso   1.00
C3098  C     0.55500   0.48976  -0.76561   0.00000  Uiso   1.00
C3099  C     0.54796   0.48485  -0.76238   0.00000  Uiso   1.00
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H3102  H     0.53080   0.49921  -0.76699   0.00000  Uiso   1.00
H3103  H     0.54925   0.47823  -0.75948   0.00000  Uiso   1.00
H3104  H     0.61104   0.58189  -0.74294   0.00000  Uiso   1.00
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H3106  H     0.60767   0.49013  -0.77673   0.00000  Uiso   1.00
O3107  O     0.56207   0.54970  -0.79401   0.00000  Uiso   1.00
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C3338  C     0.23326   0.49786  -0.50418   0.00000  Uiso   1.00
C3339  C     0.22567   0.50334  -0.50407   0.00000  Uiso   1.00
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C3347  C     0.23939   0.41207  -0.46961   0.00000  Uiso   1.00
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C3349  C     0.24512   0.40314  -0.45748   0.00000  Uiso   1.00
C3350  C     0.24052   0.39569  -0.46082   0.00000  Uiso   1.00
C3351  C     0.23546   0.39627  -0.46846   0.00000  Uiso   1.00
H3352  H     0.23892   0.41859  -0.47292   0.00000  Uiso   1.00
H3353  H     0.24769   0.41739  -0.45935   0.00000  Uiso   1.00
H3354  H     0.24098   0.38925  -0.45732   0.00000  Uiso   1.00
H3355  H     0.23193   0.39032  -0.47087   0.00000  Uiso   1.00
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C3357  C     0.22767   0.43767  -0.49704   0.00000  Uiso   1.00
C3358  C     0.22824   0.42953  -0.49273   0.00000  Uiso   1.00
C3359  C     0.22322   0.42210  -0.49592   0.00000  Uiso   1.00
C3360  C     0.21765   0.42323  -0.50356   0.00000  Uiso   1.00
C3361  C     0.21718   0.43145  -0.50773   0.00000  Uiso   1.00
C3362  C     0.22377   0.41395  -0.49166   0.00000  Uiso   1.00
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C3364  C     0.21983   0.39936  -0.49059   0.00000  Uiso   1.00
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C3366  C     0.22944   0.40536  -0.48056   0.00000  Uiso   1.00
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H3368  H     0.23262   0.42889  -0.48689   0.00000  Uiso   1.00
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H3370  H     0.23155   0.44339  -0.49459   0.00000  Uiso   1.00
H3371  H     0.21288   0.43235  -0.51361   0.00000  Uiso   1.00
C3372  C     0.20517   0.37751  -0.49988   0.00000  Uiso   1.00
C3373  C     0.20452   0.38573  -0.50426   0.00000  Uiso   1.00
C3374  C     0.20936   0.39300  -0.50129   0.00000  Uiso   1.00
C3375  C     0.21503   0.39213  -0.49369   0.00000  Uiso   1.00
C3376  C     0.21562   0.38369  -0.48931   0.00000  Uiso   1.00
C3377  C     0.21071   0.37653  -0.49243   0.00000  Uiso   1.00
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H3379  H     0.21991   0.38278  -0.48344   0.00000  Uiso   1.00
H3380  H     0.20013   0.38640  -0.51009   0.00000  Uiso   1.00
H3381  H     0.21114   0.37003  -0.48906   0.00000  Uiso   1.00
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C3383  C     0.31153   0.43921  -0.45999   0.00000  Uiso   1.00
C3384  C     0.30522   0.43824  -0.45332   0.00000  Uiso   1.00
C3385  C     0.29759   0.43275  -0.45480   0.00000  Uiso   1.00
C3386  C     0.29655   0.42843  -0.46321   0.00000  Uiso   1.00
C3387  C     0.30297   0.42951  -0.46976   0.00000  Uiso   1.00
H3388  H     0.30627   0.44162  -0.44691   0.00000  Uiso   1.00
H3389  H     0.29078   0.42413  -0.46457   0.00000  Uiso   1.00
H3390  H     0.31746   0.44335  -0.45883   0.00000  Uiso   1.00
H3391  H     0.30220   0.42612  -0.47621   0.00000  Uiso   1.00
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N3393  N     0.27950   0.42861  -0.43490   0.00000  Uiso   1.00
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C3398  C     0.29105   0.44685  -0.40941   0.00000  Uiso   1.00
C3399  C     0.28377   0.44099  -0.41044   0.00000  Uiso   1.00
C3400  C     0.28222   0.43676  -0.41846   0.00000  Uiso   1.00
C3401  C     0.28804   0.43814  -0.42582   0.00000  Uiso   1.00
C3402  C     0.29541   0.44403  -0.42469   0.00000  Uiso   1.00
C3403  C     0.29674   0.44831  -0.41669   0.00000  Uiso   1.00
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H3407  H     0.30246   0.45287  -0.41601   0.00000  Uiso   1.00
H3408  H     0.22175   0.44519  -0.50784   0.00000  Uiso   1.00
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H3410  H     0.31552   0.43564  -0.47342   0.00000  Uiso   1.00
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C3413  C     0.27059   0.41507  -0.45311   0.00000  Uiso   1.00
C3414  C     0.26352   0.40945  -0.45477   0.00000  Uiso   1.00
C3415  C     0.25708   0.40781  -0.44816   0.00000  Uiso   1.00
C3416  C     0.25808   0.41177  -0.43973   0.00000  Uiso   1.00
C3417  C     0.26510   0.41744  -0.43795   0.00000  Uiso   1.00
H3418  H     0.27548   0.41624  -0.45846   0.00000  Uiso   1.00
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H3420  H     0.25309   0.41047  -0.43449   0.00000  Uiso   1.00
H3421  H     0.26561   0.42053  -0.43133   0.00000  Uiso   1.00
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C3423  C     0.29216   0.48563  -0.29321   0.00000  Uiso   1.00
C3424  C     0.28472   0.48031  -0.29396   0.00000  Uiso   1.00
C3425  C     0.27997   0.47766  -0.28631   0.00000  Uiso   1.00
C3426  C     0.28305   0.48029  -0.27786   0.00000  Uiso   1.00
C3427  C     0.29051   0.48557  -0.27698   0.00000  Uiso   1.00
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H3429  H     0.28265   0.47811  -0.30065   0.00000  Uiso   1.00
H3430  H     0.27942   0.47817  -0.27183   0.00000  Uiso   1.00
H3431  H     0.29271   0.48753  -0.27027   0.00000  Uiso   1.00
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C3433  C     0.31969   0.50442  -0.31428   0.00000  Uiso   1.00
C3434  C     0.31532   0.50151  -0.30669   0.00000  Uiso   1.00
C3435  C     0.31872   0.50375  -0.29809   0.00000  Uiso   1.00
C3436  C     0.32668   0.50893  -0.29747   0.00000  Uiso   1.00
C3437  C     0.33095   0.51171  -0.30517   0.00000  Uiso   1.00
C3438  C     0.31432   0.50098  -0.29046   0.00000  Uiso   1.00
N3439  N     0.31779   0.50345  -0.28253   0.00000  Uiso   1.00
C3440  C     0.31315   0.50061  -0.27536   0.00000  Uiso   1.00
N3441  N     0.30562   0.49569  -0.27565   0.00000  Uiso   1.00
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H3445  H     0.32949   0.51075  -0.29095   0.00000  Uiso   1.00
H3446  H     0.31704   0.50274  -0.32091   0.00000  Uiso   1.00
H3447  H     0.33708   0.51569  -0.30470   0.00000  Uiso   1.00
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C3449  C     0.32768   0.51003  -0.25783   0.00000  Uiso   1.00
C3450  C     0.32439   0.50797  -0.26621   0.00000  Uiso   1.00
C3451  C     0.31641   0.50285  -0.26703   0.00000  Uiso   1.00
C3452  C     0.31192   0.49997  -0.25914   0.00000  Uiso   1.00
C3453  C     0.31536   0.50213  -0.25085   0.00000  Uiso   1.00
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H3456  H     0.33384   0.51395  -0.25719   0.00000  Uiso   1.00
H3457  H     0.31194   0.49989  -0.24475   0.00000  Uiso   1.00
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C3459  C     0.23674   0.50154  -0.34266   0.00000  Uiso   1.00
C3460  C     0.23832   0.49308  -0.33933   0.00000  Uiso   1.00
C3461  C     0.24330   0.49202  -0.33129   0.00000  Uiso   1.00
C3462  C     0.24658   0.49975  -0.32682   0.00000  Uiso   1.00
C3463  C     0.24492   0.50814  -0.33031   0.00000  Uiso   1.00
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H3465  H     0.25047   0.49919  -0.32063   0.00000  Uiso   1.00
H3466  H     0.23292   0.50235  -0.34887   0.00000  Uiso   1.00
H3467  H     0.24747   0.51408  -0.32687   0.00000  Uiso   1.00
C3468  C     0.25156   0.47479  -0.31748   0.00000  Uiso   1.00
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C3474  C     0.23712   0.44619  -0.34431   0.00000  Uiso   1.00
C3475  C     0.24155   0.44511  -0.33611   0.00000  Uiso   1.00
C3476  C     0.24345   0.45235  -0.33079   0.00000  Uiso   1.00
C3477  C     0.24110   0.46110  -0.33363   0.00000  Uiso   1.00
C3478  C     0.23619   0.46207  -0.34171   0.00000  Uiso   1.00
C3479  C     0.23430   0.45473  -0.34690   0.00000  Uiso   1.00
H3480  H     0.24718   0.45130  -0.32457   0.00000  Uiso   1.00
H3481  H     0.23417   0.46869  -0.34410   0.00000  Uiso   1.00
H3482  H     0.24358   0.43841  -0.33387   0.00000  Uiso   1.00
H3483  H     0.23077   0.45565  -0.35327   0.00000  Uiso   1.00
H3484  H     0.33094   0.51176  -0.31961   0.00000  Uiso   1.00
H3485  H     0.32588   0.50881  -0.24355   0.00000  Uiso   1.00
H3486  H     0.23867   0.51575  -0.34089   0.00000  Uiso   1.00
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C3489  C     0.25946   0.48195  -0.30527   0.00000  Uiso   1.00
C3490  C     0.26466   0.48136  -0.29772   0.00000  Uiso   1.00
C3491  C     0.26716   0.47301  -0.29429   0.00000  Uiso   1.00
C3492  C     0.26403   0.46522  -0.29845   0.00000  Uiso   1.00
C3493  C     0.25882   0.46568  -0.30603   0.00000  Uiso   1.00
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H3497  H     0.25664   0.45947  -0.30925   0.00000  Uiso   1.00
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C3499  C     0.50735   0.43092  -0.51505   0.00000  Uiso   1.00
C3500  C     0.49881   0.43235  -0.51199   0.00000  Uiso   1.00
C3501  C     0.49736   0.43595  -0.50345   0.00000  Uiso   1.00
C3502  C     0.50470   0.43799  -0.49799   0.00000  Uiso   1.00
C3503  C     0.51329   0.43662  -0.50095   0.00000  Uiso   1.00
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C3510  C     0.52652   0.41885  -0.53660   0.00000  Uiso   1.00
C3511  C     0.53389   0.42065  -0.53084   0.00000  Uiso   1.00
C3512  C     0.54265   0.41820  -0.53365   0.00000  Uiso   1.00
C3513  C     0.54388   0.41417  -0.54186   0.00000  Uiso   1.00
C3514  C     0.53259   0.42467  -0.52265   0.00000  Uiso   1.00
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C3527  C     0.54542   0.43178  -0.50415   0.00000  Uiso   1.00
C3528  C     0.54416   0.43582  -0.49561   0.00000  Uiso   1.00
C3529  C     0.55144   0.43753  -0.49020   0.00000  Uiso   1.00
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H3533  H     0.55048   0.44064  -0.48363   0.00000  Uiso   1.00
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C3535  C     0.45437   0.46843  -0.55587   0.00000  Uiso   1.00
C3536  C     0.45242   0.46257  -0.54903   0.00000  Uiso   1.00
C3537  C     0.45916   0.46020  -0.54273   0.00000  Uiso   1.00
C3538  C     0.46786   0.46393  -0.54366   0.00000  Uiso   1.00
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H3543  H     0.47639   0.47253  -0.55135   0.00000  Uiso   1.00
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C3546  C     0.44787   0.44424  -0.52955   0.00000  Uiso   1.00
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C3550  C     0.42390   0.42980  -0.53098   0.00000  Uiso   1.00
C3551  C     0.43029   0.42774  -0.52441   0.00000  Uiso   1.00
C3552  C     0.43798   0.43272  -0.52361   0.00000  Uiso   1.00
C3553  C     0.43972   0.43990  -0.52956   0.00000  Uiso   1.00
C3554  C     0.43314   0.44206  -0.53605   0.00000  Uiso   1.00
C3555  C     0.42550   0.43700  -0.53675   0.00000  Uiso   1.00
H3556  H     0.44292   0.43075  -0.51855   0.00000  Uiso   1.00
H3557  H     0.43420   0.44752  -0.54084   0.00000  Uiso   1.00
H3558  H     0.42937   0.42203  -0.51989   0.00000  Uiso   1.00
H3559  H     0.42061   0.43865  -0.54196   0.00000  Uiso   1.00
H3560  H     0.53765   0.40930  -0.55395   0.00000  Uiso   1.00
H3561  H     0.56579   0.43669  -0.48871   0.00000  Uiso   1.00
H3562  H     0.46442   0.47672  -0.56212   0.00000  Uiso   1.00
O3563  O     0.48890   0.43730  -0.50005   0.00000  Uiso   1.00
C3564  C     0.46846   0.44389  -0.51799   0.00000  Uiso   1.00
C3565  C     0.47681   0.44837  -0.51834   0.00000  Uiso   1.00
C3566  C     0.48349   0.44626  -0.51242   0.00000  Uiso   1.00
C3567  C     0.48223   0.43956  -0.50599   0.00000  Uiso   1.00
C3568  C     0.47393   0.43523  -0.50545   0.00000  Uiso   1.00
C3569  C     0.46714   0.43728  -0.51131   0.00000  Uiso   1.00
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H3572  H     0.47288   0.43001  -0.50039   0.00000  Uiso   1.00
H3573  H     0.46079   0.43366  -0.51086   0.00000  Uiso   1.00
C3574  C     0.30872   0.48198  -0.59011   0.00000  Uiso   1.00
C3575  C     0.31327   0.47367  -0.58959   0.00000  Uiso   1.00
C3576  C     0.30900   0.46621  -0.58633   0.00000  Uiso   1.00
C3577  C     0.30004   0.46668  -0.58360   0.00000  Uiso   1.00
C3578  C     0.29555   0.47491  -0.58401   0.00000  Uiso   1.00
C3579  C     0.29973   0.48244  -0.58716   0.00000  Uiso   1.00
H3580  H     0.32026   0.47309  -0.59171   0.00000  Uiso   1.00
H3581  H     0.31282   0.45997  -0.58582   0.00000  Uiso   1.00
H3582  H     0.28856   0.47537  -0.58179   0.00000  Uiso   1.00
H3583  H     0.29600   0.48875  -0.58742   0.00000  Uiso   1.00
C3584  C     0.35134   0.49358  -0.60910   0.00000  Uiso   1.00
C3585  C     0.34704   0.48608  -0.60557   0.00000  Uiso   1.00
C3586  C     0.33839   0.48675  -0.60241   0.00000  Uiso   1.00
C3587  C     0.33386   0.49512  -0.60271   0.00000  Uiso   1.00
C3588  C     0.33834   0.50269  -0.60633   0.00000  Uiso   1.00
C3589  C     0.34698   0.50183  -0.60947   0.00000  Uiso   1.00
C3590  C     0.32522   0.49585  -0.59957   0.00000  Uiso   1.00
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C3592  C     0.31286   0.50419  -0.59684   0.00000  Uiso   1.00
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H3598  H     0.35057   0.47966  -0.60529   0.00000  Uiso   1.00
H3599  H     0.35044   0.50765  -0.61227   0.00000  Uiso   1.00
C3600  C     0.29984   0.52886  -0.59697   0.00000  Uiso   1.00
C3601  C     0.30858   0.52821  -0.60018   0.00000  Uiso   1.00
C3602  C     0.31293   0.52007  -0.60025   0.00000  Uiso   1.00
C3603  C     0.30850   0.51231  -0.59697   0.00000  Uiso   1.00
C3604  C     0.29958   0.51309  -0.59372   0.00000  Uiso   1.00
C3605  C     0.29538   0.52131  -0.59377   0.00000  Uiso   1.00
H3606  H     0.31980   0.51971  -0.60277   0.00000  Uiso   1.00
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H3608  H     0.31200   0.53419  -0.60266   0.00000  Uiso   1.00
H3609  H     0.28852   0.52195  -0.59128   0.00000  Uiso   1.00
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C3611  C     0.31801   0.39937  -0.61445   0.00000  Uiso   1.00
C3612  C     0.31765   0.40261  -0.60582   0.00000  Uiso   1.00
C3613  C     0.31434   0.41138  -0.60419   0.00000  Uiso   1.00
C3614  C     0.31169   0.41678  -0.61157   0.00000  Uiso   1.00
C3615  C     0.31220   0.41340  -0.62014   0.00000  Uiso   1.00
H3616  H     0.31968   0.39827  -0.60027   0.00000  Uiso   1.00
H3617  H     0.30910   0.42356  -0.61054   0.00000  Uiso   1.00
H3618  H     0.32046   0.39259  -0.61571   0.00000  Uiso   1.00
H3619  H     0.31012   0.41753  -0.62583   0.00000  Uiso   1.00
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C3628  C     0.31507   0.40925  -0.56462   0.00000  Uiso   1.00
C3629  C     0.31688   0.40671  -0.57356   0.00000  Uiso   1.00
C3630  C     0.32169   0.39862  -0.57500   0.00000  Uiso   1.00
C3631  C     0.32480   0.39359  -0.56793   0.00000  Uiso   1.00
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H3634  H     0.31649   0.40610  -0.55080   0.00000  Uiso   1.00
H3635  H     0.32877   0.38763  -0.56944   0.00000  Uiso   1.00
H3636  H     0.35822   0.49299  -0.61155   0.00000  Uiso   1.00
H3637  H     0.29644   0.53535  -0.59695   0.00000  Uiso   1.00
H3638  H     0.31570   0.40211  -0.62845   0.00000  Uiso   1.00
O3639  O     0.29542   0.45947  -0.58020   0.00000  Uiso   1.00
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C3642  C     0.30008   0.44780  -0.59044   0.00000  Uiso   1.00
C3643  C     0.29864   0.45097  -0.58175   0.00000  Uiso   1.00
C3644  C     0.30023   0.44529  -0.57447   0.00000  Uiso   1.00
C3645  C     0.30348   0.43679  -0.57574   0.00000  Uiso   1.00
H3646  H     0.30433   0.43703  -0.59875   0.00000  Uiso   1.00
H3647  H     0.29866   0.45209  -0.59622   0.00000  Uiso   1.00
H3648  H     0.29901   0.44769  -0.56763   0.00000  Uiso   1.00
H3649  H     0.30484   0.43258  -0.56989   0.00000  Uiso   1.00
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C3651  C     0.38867   0.38238  -0.62183   0.00000  Uiso   1.00
C3652  C     0.38399   0.37455  -0.62074   0.00000  Uiso   1.00
C3653  C     0.38010   0.37027  -0.62812   0.00000  Uiso   1.00
C3654  C     0.38087   0.37417  -0.63661   0.00000  Uiso   1.00
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H3658  H     0.37775   0.37091  -0.64241   0.00000  Uiso   1.00
H3659  H     0.38592   0.38488  -0.64457   0.00000  Uiso   1.00
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C3661  C     0.40854   0.40996  -0.60207   0.00000  Uiso   1.00
C3662  C     0.40484   0.40583  -0.60944   0.00000  Uiso   1.00
C3663  C     0.40528   0.41003  -0.61797   0.00000  Uiso   1.00
C3664  C     0.40965   0.41846  -0.61875   0.00000  Uiso   1.00
C3665  C     0.41332   0.42244  -0.61127   0.00000  Uiso   1.00
C3666  C     0.40149   0.40598  -0.62534   0.00000  Uiso   1.00
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H3674  H     0.40817   0.40675  -0.59549   0.00000  Uiso   1.00
H3675  H     0.41667   0.42894  -0.61179   0.00000  Uiso   1.00
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C3677  C     0.40292   0.42282  -0.65753   0.00000  Uiso   1.00
C3678  C     0.40274   0.41865  -0.64930   0.00000  Uiso   1.00
C3679  C     0.39866   0.41010  -0.64839   0.00000  Uiso   1.00
C3680  C     0.39486   0.40596  -0.65608   0.00000  Uiso   1.00
C3681  C     0.39515   0.41027  -0.66425   0.00000  Uiso   1.00
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H3684  H     0.40602   0.42943  -0.65820   0.00000  Uiso   1.00
H3685  H     0.39222   0.40711  -0.67018   0.00000  Uiso   1.00
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C3687  C     0.41208   0.31744  -0.58366   0.00000  Uiso   1.00
C3688  C     0.40331   0.31993  -0.58509   0.00000  Uiso   1.00
C3689  C     0.40129   0.32665  -0.59153   0.00000  Uiso   1.00
C3690  C     0.40841   0.33082  -0.59627   0.00000  Uiso   1.00
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C3703  C     0.35528   0.32321  -0.58145   0.00000  Uiso   1.00
C3704  C     0.36187   0.32597  -0.58722   0.00000  Uiso   1.00
C3705  C     0.37090   0.32345  -0.58573   0.00000  Uiso   1.00
C3706  C     0.37278   0.31741  -0.57865   0.00000  Uiso   1.00
C3707  C     0.36610   0.31475  -0.57293   0.00000  Uiso   1.00
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H3711  H     0.36774   0.31032  -0.56731   0.00000  Uiso   1.00
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H3714  H     0.42592   0.31953  -0.58723   0.00000  Uiso   1.00
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C3717  C     0.38776   0.34777  -0.61220   0.00000  Uiso   1.00
C3718  C     0.38599   0.35403  -0.61869   0.00000  Uiso   1.00
C3719  C     0.37716   0.35646  -0.62070   0.00000  Uiso   1.00
C3720  C     0.37013   0.35229  -0.61611   0.00000  Uiso   1.00
C3721  C     0.37177   0.34605  -0.60956   0.00000  Uiso   1.00
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C3728  C     0.34920   0.28510  -0.45915   0.00000  Uiso   1.00
C3729  C     0.34864   0.29115  -0.46627   0.00000  Uiso   1.00
C3730  C     0.35065   0.28819  -0.47495   0.00000  Uiso   1.00
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H3735  H     0.35417   0.27724  -0.48349   0.00000  Uiso   1.00
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C3738  C     0.35296   0.24780  -0.44965   0.00000  Uiso   1.00
C3739  C     0.35500   0.24440  -0.45831   0.00000  Uiso   1.00
C3740  C     0.35602   0.23502  -0.45947   0.00000  Uiso   1.00
C3741  C     0.35486   0.22937  -0.45225   0.00000  Uiso   1.00
C3742  C     0.35568   0.25015  -0.46549   0.00000  Uiso   1.00
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C3782  C     0.32216   0.33674  -0.41512   0.00000  Uiso   1.00
C3783  C     0.32271   0.34558  -0.41271   0.00000  Uiso   1.00
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H3785  H     0.31750   0.33239  -0.41150   0.00000  Uiso   1.00
H3786  H     0.33769   0.35282  -0.42835   0.00000  Uiso   1.00
H3787  H     0.31856   0.34797  -0.40716   0.00000  Uiso   1.00
H3788  H     0.35210   0.22825  -0.43813   0.00000  Uiso   1.00
H3789  H     0.36334   0.24012  -0.51269   0.00000  Uiso   1.00
H3790  H     0.28844   0.29526  -0.41440   0.00000  Uiso   1.00
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C3793  C     0.33052   0.30188  -0.44650   0.00000  Uiso   1.00
C3794  C     0.33492   0.29849  -0.45383   0.00000  Uiso   1.00
C3795  C     0.34204   0.30316  -0.45772   0.00000  Uiso   1.00
C3796  C     0.34438   0.31155  -0.45423   0.00000  Uiso   1.00
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C3805  C     0.42895   0.33160  -0.48707   0.00000  Uiso   1.00
C3806  C     0.43004   0.33972  -0.49162   0.00000  Uiso   1.00
C3807  C     0.43761   0.34144  -0.49651   0.00000  Uiso   1.00
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C3812  C     0.48586   0.31276  -0.50783   0.00000  Uiso   1.00
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C3814  C     0.47138   0.31739  -0.50253   0.00000  Uiso   1.00
C3815  C     0.47237   0.32567  -0.50713   0.00000  Uiso   1.00
C3816  C     0.48032   0.32726  -0.51212   0.00000  Uiso   1.00
C3817  C     0.48694   0.32083  -0.51241   0.00000  Uiso   1.00
C3818  C     0.46573   0.33205  -0.50675   0.00000  Uiso   1.00
N3819  N     0.46708   0.33971  -0.51128   0.00000  Uiso   1.00
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N3823  N     0.45842   0.33013  -0.50189   0.00000  Uiso   1.00
H3824  H     0.46535   0.31594  -0.49863   0.00000  Uiso   1.00
H3825  H     0.48132   0.33355  -0.51575   0.00000  Uiso   1.00
H3826  H     0.47738   0.30471  -0.49935   0.00000  Uiso   1.00
H3827  H     0.49307   0.32205  -0.51623   0.00000  Uiso   1.00
C3828  C     0.46350   0.36983  -0.52429   0.00000  Uiso   1.00
C3829  C     0.47024   0.36339  -0.52468   0.00000  Uiso   1.00
C3830  C     0.46930   0.35539  -0.52021   0.00000  Uiso   1.00
C3831  C     0.46141   0.35369  -0.51517   0.00000  Uiso   1.00
C3832  C     0.45460   0.36035  -0.51483   0.00000  Uiso   1.00
C3833  C     0.45571   0.36831  -0.51937   0.00000  Uiso   1.00
H3834  H     0.47468   0.35041  -0.52060   0.00000  Uiso   1.00
H3835  H     0.44845   0.35925  -0.51099   0.00000  Uiso   1.00
H3836  H     0.47632   0.36477  -0.52853   0.00000  Uiso   1.00
H3837  H     0.45052   0.37349  -0.51912   0.00000  Uiso   1.00
C3838  C     0.39840   0.26415  -0.49635   0.00000  Uiso   1.00
C3839  C     0.39676   0.26211  -0.48739   0.00000  Uiso   1.00
C3840  C     0.39852   0.26833  -0.48081   0.00000  Uiso   1.00
C3841  C     0.40208   0.27684  -0.48318   0.00000  Uiso   1.00
C3842  C     0.40368   0.27883  -0.49234   0.00000  Uiso   1.00
C3843  C     0.40185   0.27247  -0.49879   0.00000  Uiso   1.00
H3844  H     0.39722   0.26661  -0.47381   0.00000  Uiso   1.00
H3845  H     0.40641   0.28531  -0.49437   0.00000  Uiso   1.00
H3846  H     0.39408   0.25553  -0.48559   0.00000  Uiso   1.00
H3847  H     0.40316   0.27395  -0.50584   0.00000  Uiso   1.00
C3848  C     0.40940   0.29656  -0.47252   0.00000  Uiso   1.00
N3849  N     0.40811   0.29490  -0.46377   0.00000  Uiso   1.00
C3850  C     0.40449   0.28686  -0.46201   0.00000  Uiso   1.00
N3851  N     0.40236   0.28065  -0.46815   0.00000  Uiso   1.00
C3852  C     0.40408   0.28301  -0.47663   0.00000  Uiso   1.00
N3853  N     0.40752   0.29089  -0.47924   0.00000  Uiso   1.00
C3854  C     0.39918   0.27978  -0.43549   0.00000  Uiso   1.00
C3855  C     0.40314   0.28807  -0.43744   0.00000  Uiso   1.00
C3856  C     0.40478   0.29055  -0.44614   0.00000  Uiso   1.00
C3857  C     0.40262   0.28468  -0.45325   0.00000  Uiso   1.00
C3858  C     0.39842   0.27641  -0.45120   0.00000  Uiso   1.00
C3859  C     0.39668   0.27412  -0.44249   0.00000  Uiso   1.00
H3860  H     0.40796   0.29702  -0.44748   0.00000  Uiso   1.00
H3861  H     0.39655   0.27171  -0.45651   0.00000  Uiso   1.00
H3862  H     0.40495   0.29270  -0.43204   0.00000  Uiso   1.00
H3863  H     0.39347   0.26767  -0.44106   0.00000  Uiso   1.00
H3864  H     0.49115   0.30769  -0.50810   0.00000  Uiso   1.00
H3865  H     0.46436   0.37616  -0.52787   0.00000  Uiso   1.00
H3866  H     0.39700   0.25915  -0.50153   0.00000  Uiso   1.00
O3867  O     0.42127   0.33050  -0.48211   0.00000  Uiso   1.00
C3868  C     0.41282   0.30482  -0.47487   0.00000  Uiso   1.00
C3869  C     0.41391   0.30714  -0.48403   0.00000  Uiso   1.00
C3870  C     0.41670   0.31557  -0.48640   0.00000  Uiso   1.00
C3871  C     0.41866   0.32196  -0.47984   0.00000  Uiso   1.00
C3872  C     0.41764   0.31973  -0.47080   0.00000  Uiso   1.00
C3873  C     0.41489   0.31133  -0.46828   0.00000  Uiso   1.00
H3874  H     0.41227   0.30234  -0.48932   0.00000  Uiso   1.00
H3875  H     0.41723   0.31733  -0.49350   0.00000  Uiso   1.00
H3876  H     0.41917   0.32473  -0.46564   0.00000  Uiso   1.00
H3877  H     0.41412   0.30981  -0.46115   0.00000  Uiso   1.00
C3878  C     0.57267   0.27776  -0.48410   0.00000  Uiso   1.00
C3879  C     0.57028   0.27362  -0.47590   0.00000  Uiso   1.00
C3880  C     0.56434   0.26663  -0.47577   0.00000  Uiso   1.00
C3881  C     0.56062   0.26338  -0.48374   0.00000  Uiso   1.00
C3882  C     0.56280   0.26755  -0.49185   0.00000  Uiso   1.00
C3883  C     0.56870   0.27458  -0.49211   0.00000  Uiso   1.00
H3884  H     0.57313   0.27597  -0.46956   0.00000  Uiso   1.00
H3885  H     0.56251   0.26368  -0.46929   0.00000  Uiso   1.00
H3886  H     0.55984   0.26511  -0.49811   0.00000  Uiso   1.00
H3887  H     0.57033   0.27763  -0.49857   0.00000  Uiso   1.00
C3888  C     0.60028   0.30205  -0.45309   0.00000  Uiso   1.00
C3889  C     0.59414   0.29501  -0.45302   0.00000  Uiso   1.00
C3890  C     0.59005   0.29234  -0.46085   0.00000  Uiso   1.00
C3891  C     0.59213   0.29672  -0.46904   0.00000  Uiso   1.00
C3892  C     0.59840   0.30387  -0.46899   0.00000  Uiso   1.00
C3893  C     0.60238   0.30644  -0.46106   0.00000  Uiso   1.00
C3894  C     0.58818   0.29399  -0.47691   0.00000  Uiso   1.00
N3895  N     0.59051   0.29829  -0.48446   0.00000  Uiso   1.00
C3896  C     0.58649   0.29523  -0.49191   0.00000  Uiso   1.00
N3897  N     0.58058   0.28844  -0.49222   0.00000  Uiso   1.00
C3898  C     0.57873   0.28472  -0.48425   0.00000  Uiso   1.00
N3899  N     0.58230   0.28721  -0.47639   0.00000  Uiso   1.00
H3900  H     0.58527   0.28679  -0.46065   0.00000  Uiso   1.00
H3901  H     0.60014   0.30739  -0.47519   0.00000  Uiso   1.00
H3902  H     0.59259   0.29159  -0.44672   0.00000  Uiso   1.00
H3903  H     0.60720   0.31195  -0.46101   0.00000  Uiso   1.00
C3904  C     0.59259   0.30795  -0.51598   0.00000  Uiso   1.00
C3905  C     0.59662   0.31084  -0.50807   0.00000  Uiso   1.00
C3906  C     0.59470   0.30667  -0.50006   0.00000  Uiso   1.00
C3907  C     0.58856   0.29939  -0.49987   0.00000  Uiso   1.00
C3908  C     0.58452   0.29653  -0.50801   0.00000  Uiso   1.00
C3909  C     0.58657   0.30082  -0.51592   0.00000  Uiso   1.00
H3910  H     0.59792   0.30906  -0.49393   0.00000  Uiso   1.00
H3911  H     0.57976   0.29097  -0.50811   0.00000  Uiso   1.00
H3912  H     0.60132   0.31646  -0.50825   0.00000  Uiso   1.00
H3913  H     0.58346   0.29863  -0.52219   0.00000  Uiso   1.00
C3914  C     0.59333   0.21373  -0.44217   0.00000  Uiso   1.00
C3915  C     0.58598   0.21001  -0.43777   0.00000  Uiso   1.00
C3916  C     0.57740   0.21250  -0.44010   0.00000  Uiso   1.00
C3917  C     0.57604   0.21885  -0.44705   0.00000  Uiso   1.00
C3918  C     0.58359   0.22257  -0.45147   0.00000  Uiso   1.00
C3919  C     0.59210   0.22002  -0.44897   0.00000  Uiso   1.00
H3920  H     0.57174   0.20951  -0.43655   0.00000  Uiso   1.00
H3921  H     0.58278   0.22751  -0.45681   0.00000  Uiso   1.00
H3922  H     0.58704   0.20511  -0.43243   0.00000  Uiso   1.00
H3923  H     0.59791   0.22295  -0.45235   0.00000  Uiso   1.00
C3924  C     0.55821   0.22983  -0.45795   0.00000  Uiso   1.00
N3925  N     0.55083   0.22661  -0.45391   0.00000  Uiso   1.00
C3926  C     0.55250   0.22058  -0.44743   0.00000  Uiso   1.00
N3927  N     0.56066   0.21779  -0.44489   0.00000  Uiso   1.00
C3928  C     0.56751   0.22145  -0.44941   0.00000  Uiso   1.00
N3929  N     0.56668   0.22747  -0.45601   0.00000  Uiso   1.00
C3930  C     0.53085   0.20933  -0.43349   0.00000  Uiso   1.00
C3931  C     0.52929   0.21526  -0.44057   0.00000  Uiso   1.00
C3932  C     0.53632   0.21910  -0.44512   0.00000  Uiso   1.00
C3933  C     0.54531   0.21695  -0.44289   0.00000  Uiso   1.00
C3934  C     0.54680   0.21080  -0.43581   0.00000  Uiso   1.00
C3935  C     0.53970   0.20713  -0.43131   0.00000  Uiso   1.00
H3936  H     0.53488   0.22372  -0.45063   0.00000  Uiso   1.00
H3937  H     0.55359   0.20888  -0.43385   0.00000  Uiso   1.00
H3938  H     0.52245   0.21686  -0.44269   0.00000  Uiso   1.00
H3939  H     0.54104   0.20239  -0.42586   0.00000  Uiso   1.00
H3940  H     0.60348   0.30414  -0.44684   0.00000  Uiso   1.00
H3941  H     0.59416   0.31131  -0.52230   0.00000  Uiso   1.00
H3942  H     0.60011   0.21170  -0.44026   0.00000  Uiso   1.00
O3943  O     0.55462   0.25637  -0.48387   0.00000  Uiso   1.00
C3944  C     0.55720   0.23615  -0.46460   0.00000  Uiso   1.00
C3945  C     0.56486   0.23969  -0.46896   0.00000  Uiso   1.00
C3946  C     0.56401   0.24625  -0.47531   0.00000  Uiso   1.00
C3947  C     0.55559   0.24967  -0.47757   0.00000  Uiso   1.00
C3948  C     0.54795   0.24602  -0.47353   0.00000  Uiso   1.00
C3949  C     0.54866   0.23942  -0.46715   0.00000  Uiso   1.00
H3950  H     0.57158   0.23731  -0.46728   0.00000  Uiso   1.00
H3951  H     0.57008   0.24875  -0.47858   0.00000  Uiso   1.00
H3952  H     0.54130   0.24855  -0.47535   0.00000  Uiso   1.00
H3953  H     0.54258   0.23685  -0.46397   0.00000  Uiso   1.00
C3954  C     0.36177   0.18451  -0.42473   0.00000  Uiso   1.00
C3955  C     0.37077   0.18737  -0.42570   0.00000  Uiso   1.00
C3956  C     0.37712   0.18495  -0.41952   0.00000  Uiso   1.00
C3957  C     0.37484   0.17953  -0.41221   0.00000  Uiso   1.00
C3958  C     0.36594   0.17681  -0.41112   0.00000  Uiso   1.00
C3959  C     0.35950   0.17917  -0.41722   0.00000  Uiso   1.00
H3960  H     0.37277   0.19154  -0.43138   0.00000  Uiso   1.00
H3961  H     0.38400   0.18741  -0.42039   0.00000  Uiso   1.00
H3962  H     0.36408   0.17265  -0.40536   0.00000  Uiso   1.00
H3963  H     0.35262   0.17685  -0.41621   0.00000  Uiso   1.00
C3964  C     0.35912   0.20854  -0.46637   0.00000  Uiso   1.00
C3965  C     0.36552   0.20642  -0.45991   0.00000  Uiso   1.00
C3966  C     0.36309   0.20171  -0.45234   0.00000  Uiso   1.00
C3967  C     0.35406   0.19896  -0.45114   0.00000  Uiso   1.00
C3968  C     0.34761   0.20127  -0.45775   0.00000  Uiso   1.00
C3969  C     0.35021   0.20598  -0.46525   0.00000  Uiso   1.00
C3970  C     0.35163   0.19395  -0.44379   0.00000  Uiso   1.00
N3971  N     0.34302   0.19141  -0.44315   0.00000  Uiso   1.00
C3972  C     0.34110   0.18639  -0.43592   0.00000  Uiso   1.00
N3973  N     0.34702   0.18387  -0.42962   0.00000  Uiso   1.00
C3974  C     0.35539   0.18687  -0.43095   0.00000  Uiso   1.00
N3975  N     0.35809   0.19191  -0.43789   0.00000  Uiso   1.00
H3976  H     0.36823   0.20006  -0.44739   0.00000  Uiso   1.00
H3977  H     0.34060   0.19927  -0.45703   0.00000  Uiso   1.00
H3978  H     0.37249   0.20853  -0.46083   0.00000  Uiso   1.00
H3979  H     0.34526   0.20771  -0.47037   0.00000  Uiso   1.00
C3980  C     0.31476   0.17765  -0.43303   0.00000  Uiso   1.00
C3981  C     0.31711   0.18293  -0.44036   0.00000  Uiso   1.00
C3982  C     0.32579   0.18587  -0.44139   0.00000  Uiso   1.00
C3983  C     0.33239   0.18354  -0.43493   0.00000  Uiso   1.00
C3984  C     0.32986   0.17818  -0.42748   0.00000  Uiso   1.00
C3985  C     0.32113   0.17531  -0.42662   0.00000  Uiso   1.00
H3986  H     0.32750   0.18999  -0.44721   0.00000  Uiso   1.00
H3987  H     0.33475   0.17625  -0.42237   0.00000  Uiso   1.00
H3988  H     0.31202   0.18469  -0.44533   0.00000  Uiso   1.00
H3989  H     0.31916   0.17116  -0.42090   0.00000  Uiso   1.00
C3990  C     0.43170   0.15795  -0.45197   0.00000  Uiso   1.00
C3991  C     0.43876   0.16123  -0.44683   0.00000  Uiso   1.00
C3992  C     0.43716   0.16507  -0.43858   0.00000  Uiso   1.00
C3993  C     0.42825   0.16563  -0.43529   0.00000  Uiso   1.00
C3994  C     0.42112   0.16227  -0.44063   0.00000  Uiso   1.00
C3995  C     0.42291   0.15851  -0.44887   0.00000  Uiso   1.00
H3996  H     0.44280   0.16763  -0.43466   0.00000  Uiso   1.00
H3997  H     0.41418   0.16265  -0.43832   0.00000  Uiso   1.00
H3998  H     0.44562   0.16078  -0.44937   0.00000  Uiso   1.00
H3999  H     0.41740   0.15596  -0.45297   0.00000  Uiso   1.00
C4000  C     0.41653   0.17369  -0.41651   0.00000  Uiso   1.00
N4001  N     0.42294   0.17710  -0.41121   0.00000  Uiso   1.00
C4002  C     0.43128   0.17625  -0.41445   0.00000  Uiso   1.00
N4003  N     0.43346   0.17255  -0.42235   0.00000  Uiso   1.00
C4004  C     0.42648   0.16941  -0.42707   0.00000  Uiso   1.00
N4005  N     0.41790   0.16971  -0.42445   0.00000  Uiso   1.00
C4006  C     0.45213   0.18587  -0.39848   0.00000  Uiso   1.00
C4007  C     0.44332   0.18601  -0.39532   0.00000  Uiso   1.00
C4008  C     0.43641   0.18301  -0.40057   0.00000  Uiso   1.00
C4009  C     0.43816   0.17944  -0.40920   0.00000  Uiso   1.00
C4010  C     0.44713   0.17909  -0.41225   0.00000  Uiso   1.00
C4011  C     0.45392   0.18231  -0.40697   0.00000  Uiso   1.00
H4012  H     0.42959   0.18331  -0.39793   0.00000  Uiso   1.00
H4013  H     0.44878   0.17634  -0.41884   0.00000  Uiso   1.00
H4014  H     0.44186   0.18869  -0.38864   0.00000  Uiso   1.00
H4015  H     0.46079   0.18190  -0.40950   0.00000  Uiso   1.00
H4016  H     0.36112   0.21228  -0.47235   0.00000  Uiso   1.00
H4017  H     0.30784   0.17534  -0.43228   0.00000  Uiso   1.00
H4018  H     0.43307   0.15491  -0.45849   0.00000  Uiso   1.00
O4019  O     0.38101   0.17699  -0.40585   0.00000  Uiso   1.00
C4020  C     0.40777   0.17427  -0.41366   0.00000  Uiso   1.00
C4021  C     0.40081   0.17057  -0.41895   0.00000  Uiso   1.00
C4022  C     0.39204   0.17139  -0.41635   0.00000  Uiso   1.00
C4023  C     0.38980   0.17597  -0.40849   0.00000  Uiso   1.00
C4024  C     0.39664   0.17940  -0.40308   0.00000  Uiso   1.00
C4025  C     0.40547   0.17863  -0.40555   0.00000  Uiso   1.00
H4026  H     0.40230   0.16704  -0.42520   0.00000  Uiso   1.00
H4027  H     0.38684   0.16837  -0.42055   0.00000  Uiso   1.00
H4028  H     0.39494   0.18291  -0.39685   0.00000  Uiso   1.00
H4029  H     0.41066   0.18157  -0.40130   0.00000  Uiso   1.00
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
C1     C2      1.427   .     S
C1     C21     1.390   .     S
C1     C6      1.424   .     S
C2     C3      1.383   .     S
C2     H7      1.101   .     S
C3     C4      1.407   .     S
C3     H8      1.101   .     S
C4     O67     1.390   .     S
C4     C5      1.406   .     S
C5     H9      1.102   .     S
C5     C6      1.379   .     S
C6     H10     1.100   .     S
C11    C16     1.407   .     S
C11    C12     1.407   .     S
C11    O63     1.389   .     S
C12    H25     1.101   .     S
C12    C13     1.382   .     S
C13    C14     1.426   .     S
C13    H23     1.099   .     S
C14    C17     1.387   .     S
C14    C15     1.424   .     S
C15    H24     1.101   .     S
C15    C16     1.379   .     S
C16    H26     1.101   .     S
C17    N22     1.353   .     S
C17    N18     1.352   .     S
N18    C19     1.351   .     S
C19    N20     1.351   .     S
C19    C30     1.391   .     S
N20    C21     1.355   .     S
C21    N22     1.349   .     S
C27    O64     1.389   .     S
C27    C32     1.406   .     S
C27    C28     1.406   .     S
C28    H35     1.100   .     S
C28    C29     1.383   .     S
C29    C30     1.428   .     S
C29    H33     1.099   .     S
C30    C31     1.424   .     S
C31    H34     1.100   .     S
C31    C32     1.380   .     S
C32    H36     1.102   .     S
C37    C38     1.404   .     S
C37    O65     1.384   .     S
C37    C42     1.407   .     S
C38    C39     1.378   .     S
C38    H45     1.100   .     S
C39    C40     1.424   .     S
C39    H43     1.100   .     S
C40    C51     1.386   .     S
C40    C41     1.424   .     S
C41    C42     1.379   .     S
C41    H44     1.100   .     S
C42    H46     1.100   .     S
C47    C68     1.387   .     S
C47    N52     1.351   .     S
C47    N48     1.353   .     S
N48    C49     1.352   .     S
C49    C56     1.386   .     S
C49    N50     1.350   .     S
N50    C51     1.348   .     S
C51    N52     1.349   .     S
C53    C58     1.405   .     S
C53    C54     1.406   .     S
C53    O66     1.384   .     S
C54    C55     1.380   .     S
C54    H61     1.100   .     S
C55    C56     1.425   .     S
C55    H59     1.099   .     S
C56    C57     1.425   .     S
C57    C58     1.378   .     S
C57    H60     1.100   .     S
C58    H62     1.100   .     S
O63    C282    1.386   .     S
O64    C358    1.388   .     S
O65    C130    1.386   .     S
O66    C206    1.388   .     S
O67    C71     1.390   .     S
C68    C73     1.424   .     S
C68    C69     1.426   .     S
C69    C70     1.380   .     S
C69    H74     1.099   .     S
C70    H75     1.099   .     S
C70    C71     1.405   .     S
C71    C72     1.408   .     S
C72    H76     1.101   .     S
C72    C73     1.381   .     S
C73    H77     1.100   .     S
C78    C98     1.384   .     S
C78    C79     1.424   .     S
C78    C83     1.423   .     S
C79    C80     1.378   .     S
C79    H84     1.100   .     S
C80    C81     1.407   .     S
C80    H85     1.100   .     S
C81    C82     1.407   .     S
C81    O143    1.386   .     S
C82    H86     1.100   .     S
C82    C83     1.378   .     S
C83    H87     1.101   .     S
C88    O140    1.385   .     S
C88    C89     1.405   .     S
C88    C93     1.407   .     S
C89    H102    1.100   .     S
C89    C90     1.381   .     S
C90    H100    1.100   .     S
C90    C91     1.426   .     S
C91    C92     1.423   .     S
C91    C94     1.385   .     S
C92    H101    1.100   .     S
C92    C93     1.376   .     S
C93    H103    1.100   .     S
C94    N95     1.350   .     S
C94    N99     1.346   .     S
N95    C96     1.351   .     S
C96    N97     1.349   .     S
C96    C107    1.388   .     S
N97    C98     1.351   .     S
C98    N99     1.349   .     S
C104   C109    1.405   .     S
C104   C105    1.407   .     S
C104   O141    1.389   .     S
C105   C106    1.379   .     S
C105   H112    1.101   .     S
C106   H110    1.100   .     S
C106   C107    1.423   .     S
C107   C108    1.427   .     S
C108   H111    1.100   .     S
C108   C109    1.383   .     S
C109   H113    1.100   .     S
C114   C115    1.405   .     S
C114   O142    1.383   .     S
C114   C119    1.406   .     S
C115   H122    1.100   .     S
C115   C116    1.380   .     S
C116   H120    1.100   .     S
C116   C117    1.425   .     S
C117   C128    1.385   .     S
C117   C118    1.426   .     S
C118   H121    1.100   .     S
C118   C119    1.378   .     S
C119   H123    1.101   .     S
C124   N129    1.345   .     S
C124   C144    1.386   .     S
C124   N125    1.347   .     S
N125   C126    1.345   .     S
C126   N127    1.350   .     S
C126   C133    1.384   .     S
N127   C128    1.350   .     S
C128   N129    1.354   .     S
C130   C135    1.409   .     S
C130   C131    1.404   .     S
C131   C132    1.376   .     S
C131   H138    1.101   .     S
C132   C133    1.424   .     S
C132   H136    1.100   .     S
C133   C134    1.421   .     S
C134   H137    1.100   .     S
C134   C135    1.379   .     S
C135   H139    1.101   .     S
O140   C890    1.385   .     S
O141   C1042   1.394   .     S
O142   C966    1.387   .     S
O143   C147    1.381   .     S
C144   C149    1.425   .     S
C144   C145    1.422   .     S
C145   H150    1.098   .     S
C145   C146    1.380   .     S
C146   H151    1.101   .     S
C146   C147    1.406   .     S
C147   C148    1.402   .     S
C148   C149    1.375   .     S
C148   H152    1.100   .     S
C149   H153    1.099   .     S
C154   C159    1.425   .     S
C154   C174    1.387   .     S
C154   C155    1.428   .     S
C155   H160    1.101   .     S
C155   C156    1.381   .     S
C156   C157    1.406   .     S
C156   H161    1.101   .     S
C157   O219    1.390   .     S
C157   C158    1.409   .     S
C158   C159    1.380   .     S
C158   H162    1.102   .     S
C159   H163    1.101   .     S
C164   C165    1.405   .     S
C164   O216    1.389   .     S
C164   C169    1.409   .     S
C165   C166    1.388   .     S
C165   H178    1.098   .     S
C166   H176    1.100   .     S
C166   C167    1.427   .     S
C167   C168    1.422   .     S
C167   C170    1.390   .     S
C168   C169    1.375   .     S
C168   H177    1.101   .     S
C169   H179    1.101   .     S
C170   N175    1.347   .     S
C170   N171    1.351   .     S
N171   C172    1.347   .     S
C172   N173    1.350   .     S
C172   C183    1.389   .     S
N173   C174    1.355   .     S
C174   N175    1.356   .     S
C180   C181    1.406   .     S
C180   C185    1.407   .     S
C180   O217    1.387   .     S
C181   H188    1.101   .     S
C181   C182    1.376   .     S
C182   H186    1.101   .     S
C182   C183    1.424   .     S
C183   C184    1.425   .     S
C184   H187    1.100   .     S
C184   C185    1.385   .     S
C185   H189    1.100   .     S
C190   O218    1.383   .     S
C190   C195    1.407   .     S
C190   C191    1.403   .     S
C191   C192    1.379   .     S
C191   H198    1.100   .     S
C192   H196    1.100   .     S
C192   C193    1.424   .     S
C193   C194    1.423   .     S
C193   C204    1.383   .     S
C194   H197    1.099   .     S
C194   C195    1.377   .     S
C195   H199    1.101   .     S
C200   N201    1.352   .     S
C200   C220    1.387   .     S
C200   N205    1.348   .     S
N201   C202    1.350   .     S
C202   N203    1.351   .     S
C202   C209    1.386   .     S
N203   C204    1.347   .     S
C204   N205    1.350   .     S
C206   C207    1.407   .     S
C206   C211    1.407   .     S
C207   C208    1.379   .     S
C207   H214    1.101   .     S
C208   C209    1.424   .     S
C208   H212    1.100   .     S
C209   C210    1.425   .     S
C210   C211    1.379   .     S
C210   H213    1.100   .     S
C211   H215    1.100   .     S
O216   C1194   1.387   .     S
O217   C1270   1.388   .     S
O218   C1118   1.383   .     S
O219   C223    1.387   .     S
C220   C221    1.427   .     S
C220   C225    1.424   .     S
C221   H226    1.101   .     S
C221   C222    1.381   .     S
C222   H227    1.101   .     S
C222   C223    1.406   .     S
C223   C224    1.406   .     S
C224   H228    1.102   .     S
C224   C225    1.378   .     S
C225   H229    1.100   .     S
C230   C250    1.388   .     S
C230   C235    1.423   .     S
C230   C231    1.425   .     S
C231   H236    1.100   .     S
C231   C232    1.380   .     S
C232   C233    1.406   .     S
C232   H237    1.099   .     S
C233   O295    1.390   .     S
C233   C234    1.409   .     S
C234   H238    1.101   .     S
C234   C235    1.380   .     S
C235   H239    1.101   .     S
C240   C245    1.405   .     S
C240   O292    1.387   .     S
C240   C241    1.408   .     S
C241   H254    1.101   .     S
C241   C242    1.379   .     S
C242   H252    1.101   .     S
C242   C243    1.424   .     S
C243   C246    1.387   .     S
C243   C244    1.426   .     S
C244   C245    1.382   .     S
C244   H253    1.100   .     S
C245   H255    1.099   .     S
C246   N251    1.350   .     S
C246   N247    1.352   .     S
N247   C248    1.351   .     S
C248   N249    1.352   .     S
C248   C259    1.387   .     S
N249   C250    1.351   .     S
C250   N251    1.350   .     S
C256   O293    1.387   .     S
C256   C257    1.406   .     S
C256   C261    1.406   .     S
C257   H264    1.101   .     S
C257   C258    1.380   .     S
C258   H262    1.100   .     S
C258   C259    1.425   .     S
C259   C260    1.426   .     S
C260   H263    1.099   .     S
C260   C261    1.380   .     S
C261   H265    1.100   .     S
C266   O294    1.386   .     S
C266   C271    1.406   .     S
C266   C267    1.406   .     S
C267   H274    1.101   .     S
C267   C268    1.388   .     S
C268   C269    1.426   .     S
C268   H272    1.101   .     S
C269   C270    1.423   .     S
C269   C280    1.389   .     S
C270   H273    1.101   .     S
C270   C271    1.374   .     S
C271   H275    1.101   .     S
C276   C296    1.389   .     S
C276   N277    1.350   .     S
C276   N281    1.346   .     S
N277   C278    1.358   .     S
C278   N279    1.357   .     S
C278   C285    1.388   .     S
N279   C280    1.349   .     S
C280   N281    1.349   .     S
C282   C287    1.405   .     S
C282   C283    1.404   .     S
C283   H290    1.100   .     S
C283   C284    1.380   .     S
C284   H288    1.099   .     S
C284   C285    1.427   .     S
C285   C286    1.428   .     S
C286   H289    1.100   .     S
C286   C287    1.380   .     S
C287   H291    1.101   .     S
O292   C814    1.389   .     S
O293   C738    1.390   .     S
O294   C662    1.387   .     S
O295   C299    1.387   .     S
C296   C297    1.428   .     S
C296   C301    1.421   .     S
C297   C298    1.377   .     S
C297   H302    1.100   .     S
C298   H303    1.101   .     S
C298   C299    1.403   .     S
C299   C300    1.410   .     S
C300   H304    1.102   .     S
C300   C301    1.383   .     S
C301   H305    1.100   .     S
C306   C311    1.424   .     S
C306   C326    1.386   .     S
C306   C307    1.427   .     S
C307   H312    1.100   .     S
C307   C308    1.381   .     S
C308   C309    1.407   .     S
C308   H313    1.100   .     S
C309   O371    1.389   .     S
C309   C310    1.407   .     S
C310   H314    1.101   .     S
C310   C311    1.379   .     S
C311   H315    1.101   .     S
C316   C317    1.406   .     S
C316   O368    1.384   .     S
C316   C321    1.404   .     S
C317   H330    1.101   .     S
C317   C318    1.380   .     S
C318   H328    1.100   .     S
C318   C319    1.424   .     S
C319   C320    1.425   .     S
C319   C322    1.387   .     S
C320   H329    1.100   .     S
C320   C321    1.379   .     S
C321   H331    1.101   .     S
C322   N327    1.351   .     S
C322   N323    1.349   .     S
N323   C324    1.347   .     S
C324   C335    1.384   .     S
C324   N325    1.349   .     S
N325   C326    1.351   .     S
C326   N327    1.353   .     S
C332   O369    1.384   .     S
C332   C333    1.404   .     S
C332   C337    1.408   .     S
C333   C334    1.379   .     S
C333   H340    1.101   .     S
C334   H338    1.100   .     S
C334   C335    1.425   .     S
C335   C336    1.423   .     S
C336   C337    1.378   .     S
C336   H339    1.100   .     S
C337   H341    1.101   .     S
C342   C347    1.407   .     S
C342   C343    1.402   .     S
C342   O370    1.380   .     S
C343   C344    1.377   .     S
C343   H350    1.101   .     S
C344   H348    1.099   .     S
C344   C345    1.425   .     S
C345   C356    1.386   .     S
C345   C346    1.424   .     S
C346   C347    1.380   .     S
C346   H349    1.099   .     S
C347   H351    1.100   .     S
C352   N353    1.353   .     S
C352   C372    1.388   .     S
C352   N357    1.351   .     S
N353   C354    1.352   .     S
C354   C361    1.392   .     S
C354   N355    1.348   .     S
N355   C356    1.353   .     S
C356   N357    1.351   .     S
C358   C359    1.406   .     S
C358   C363    1.406   .     S
C359   C360    1.381   .     S
C359   H366    1.100   .     S
C360   C361    1.424   .     S
C360   H364    1.099   .     S
C361   C362    1.427   .     S
C362   H365    1.099   .     S
C362   C363    1.382   .     S
C363   H367    1.100   .     S
O368   C434    1.389   .     S
O369   C510    1.384   .     S
O370   C586    1.381   .     S
O371   C375    1.388   .     S
C372   C373    1.426   .     S
C372   C377    1.425   .     S
C373   H378    1.100   .     S
C373   C374    1.381   .     S
C374   C375    1.406   .     S
C374   H379    1.101   .     S
C375   C376    1.405   .     S
C376   C377    1.379   .     S
C376   H380    1.101   .     S
C377   H381    1.099   .     S
C382   C383    1.425   .     S
C382   C402    1.385   .     S
C382   C387    1.425   .     S
C383   H388    1.100   .     S
C383   C384    1.378   .     S
C384   H389    1.101   .     S
C384   C385    1.407   .     S
C385   C386    1.407   .     S
C385   O447    1.388   .     S
C386   C387    1.380   .     S
C386   H390    1.101   .     S
C387   H391    1.099   .     S
C392   O444    1.379   .     S
C392   C397    1.404   .     S
C392   C393    1.406   .     S
C393   C394    1.378   .     S
C393   H406    1.102   .     S
C394   H404    1.100   .     S
C394   C395    1.423   .     S
C395   C398    1.384   .     S
C395   C396    1.424   .     S
C396   C397    1.377   .     S
C396   H405    1.100   .     S
C397   H407    1.100   .     S
C398   N399    1.345   .     S
C398   N403    1.346   .     S
N399   C400    1.349   .     S
C400   N401    1.350   .     S
C400   C411    1.384   .     S
N401   C402    1.353   .     S
C402   N403    1.351   .     S
C408   O445    1.383   .     S
C408   C413    1.406   .     S
C408   C409    1.405   .     S
C409   C410    1.377   .     S
C409   H416    1.101   .     S
C410   C411    1.424   .     S
C410   H414    1.100   .     S
C411   C412    1.423   .     S
C412   C413    1.380   .     S
C412   H415    1.101   .     S
C413   H417    1.101   .     S
C418   O446    1.381   .     S
C418   C419    1.406   .     S
C418   C423    1.404   .     S
C419   C420    1.379   .     S
C419   H426    1.100   .     S
C420   C421    1.425   .     S
C420   H424    1.100   .     S
C421   C422    1.425   .     S
C421   C432    1.385   .     S
C422   C423    1.378   .     S
C422   H425    1.100   .     S
C423   H427    1.101   .     S
C428   N429    1.349   .     S
C428   C448    1.386   .     S
C428   N433    1.348   .     S
N429   C430    1.349   .     S
C430   C437    1.386   .     S
C430   N431    1.350   .     S
N431   C432    1.350   .     S
C432   N433    1.351   .     S
C434   C439    1.408   .     S
C434   C435    1.407   .     S
C435   C436    1.377   .     S
C435   H442    1.102   .     S
C436   H440    1.101   .     S
C436   C437    1.424   .     S
C437   C438    1.423   .     S
C438   H441    1.100   .     S
C438   C439    1.380   .     S
C439   H443    1.100   .     S
O444   C3398   1.384   .     S
O445   C3474   1.381   .     S
O446   C3778   1.381   .     S
O447   C451    1.387   .     S
C448   C449    1.423   .     S
C448   C453    1.425   .     S
C449   C450    1.379   .     S
C449   H454    1.100   .     S
C450   H455    1.100   .     S
C450   C451    1.408   .     S
C451   C452    1.405   .     S
C452   C453    1.380   .     S
C452   H456    1.101   .     S
C453   H457    1.100   .     S
C458   C478    1.385   .     S
C458   C459    1.427   .     S
C458   C463    1.425   .     S
C459   C460    1.379   .     S
C459   H464    1.099   .     S
C460   C461    1.406   .     S
C460   H465    1.101   .     S
C461   C462    1.409   .     S
C461   O523    1.390   .     S
C462   C463    1.380   .     S
C462   H466    1.102   .     S
C463   H467    1.100   .     S
C468   C469    1.408   .     S
C468   O520    1.377   .     S
C468   C473    1.401   .     S
C469   C470    1.380   .     S
C469   H482    1.101   .     S
C470   H480    1.100   .     S
C470   C471    1.420   .     S
C471   C474    1.384   .     S
C471   C472    1.426   .     S
C472   H481    1.099   .     S
C472   C473    1.374   .     S
C473   H483    1.100   .     S
C474   N475    1.345   .     S
C474   N479    1.346   .     S
N475   C476    1.344   .     S
C476   N477    1.348   .     S
C476   C487    1.388   .     S
N477   C478    1.358   .     S
C478   N479    1.356   .     S
C484   C489    1.409   .     S
C484   C485    1.405   .     S
C484   O521    1.387   .     S
C485   H492    1.101   .     S
C485   C486    1.376   .     S
C486   C487    1.423   .     S
C486   H490    1.101   .     S
C487   C488    1.423   .     S
C488   C489    1.385   .     S
C488   H491    1.099   .     S
C489   H493    1.099   .     S
C494   O522    1.384   .     S
C494   C499    1.407   .     S
C494   C495    1.404   .     S
C495   H502    1.101   .     S
C495   C496    1.380   .     S
C496   C497    1.425   .     S
C496   H500    1.101   .     S
C497   C498    1.423   .     S
C497   C508    1.384   .     S
C498   C499    1.377   .     S
C498   H501    1.100   .     S
C499   H503    1.101   .     S
C504   N505    1.351   .     S
C504   C524    1.386   .     S
C504   N509    1.348   .     S
N505   C506    1.349   .     S
C506   C513    1.384   .     S
C506   N507    1.349   .     S
N507   C508    1.347   .     S
C508   N509    1.350   .     S
C510   C515    1.407   .     S
C510   C511    1.403   .     S
C511   C512    1.379   .     S
C511   H518    1.100   .     S
C512   H516    1.099   .     S
C512   C513    1.425   .     S
C513   C514    1.424   .     S
C514   H517    1.100   .     S
C514   C515    1.378   .     S
C515   H519    1.100   .     S
O520   C4006   1.379   .     S
O521   C3930   1.386   .     S
O522   C3854   1.382   .     S
O523   C527    1.387   .     S
C524   C529    1.424   .     S
C524   C525    1.425   .     S
C525   H530    1.100   .     S
C525   C526    1.381   .     S
C526   C527    1.406   .     S
C526   H531    1.100   .     S
C527   C528    1.406   .     S
C528   C529    1.380   .     S
C528   H532    1.100   .     S
C529   H533    1.099   .     S
C534   C539    1.423   .     S
C534   C535    1.424   .     S
C534   C554    1.386   .     S
C535   H540    1.099   .     S
C535   C536    1.381   .     S
C536   H541    1.100   .     S
C536   C537    1.406   .     S
C537   C538    1.407   .     S
C537   O599    1.387   .     S
C538   H542    1.101   .     S
C538   C539    1.376   .     S
C539   H543    1.100   .     S
C544   O596    1.389   .     S
C544   C549    1.406   .     S
C544   C545    1.406   .     S
C545   H558    1.101   .     S
C545   C546    1.377   .     S
C546   H556    1.100   .     S
C546   C547    1.424   .     S
C547   C548    1.428   .     S
C547   C550    1.389   .     S
C548   C549    1.387   .     S
C548   H557    1.101   .     S
C549   H559    1.100   .     S
C550   N555    1.354   .     S
C550   N551    1.353   .     S
N551   C552    1.353   .     S
C552   C563    1.388   .     S
C552   N553    1.350   .     S
N553   C554    1.348   .     S
C554   N555    1.346   .     S
C560   O597    1.383   .     S
C560   C561    1.406   .     S
C560   C565    1.404   .     S
C561   H568    1.100   .     S
C561   C562    1.383   .     S
C562   H566    1.100   .     S
C562   C563    1.423   .     S
C563   C564    1.426   .     S
C564   C565    1.377   .     S
C564   H567    1.099   .     S
C565   H569    1.100   .     S
C570   O598    1.383   .     S
C570   C575    1.404   .     S
C570   C571    1.408   .     S
C571   H578    1.102   .     S
C571   C572    1.381   .     S
C572   H576    1.100   .     S
C572   C573    1.423   .     S
C573   C574    1.424   .     S
C573   C584    1.386   .     S
C574   H577    1.100   .     S
C574   C575    1.376   .     S
C575   H579    1.100   .     S
C580   N585    1.347   .     S
C580   C600    1.387   .     S
C580   N581    1.347   .     S
N581   C582    1.352   .     S
C582   N583    1.355   .     S
C582   C589    1.385   .     S
N583   C584    1.348   .     S
C584   N585    1.348   .     S
C586   C591    1.406   .     S
C586   C587    1.404   .     S
C587   C588    1.378   .     S
C587   H594    1.101   .     S
C588   C589    1.426   .     S
C588   H592    1.100   .     S
C589   C590    1.426   .     S
C590   H593    1.100   .     S
C590   C591    1.380   .     S
C591   H595    1.101   .     S
O596   C3626   1.387   .     S
O597   C3702   1.381   .     S
O598   C3550   1.386   .     S
O599   C603    1.383   .     S
C600   C601    1.425   .     S
C600   C605    1.423   .     S
C601   H606    1.099   .     S
C601   C602    1.378   .     S
C602   H607    1.101   .     S
C602   C603    1.402   .     S
C603   C604    1.408   .     S
C604   C605    1.382   .     S
C604   H608    1.102   .     S
C605   H609    1.099   .     S
C610   C630    1.389   .     S
C610   C615    1.424   .     S
C610   C611    1.424   .     S
C611   H616    1.100   .     S
C611   C612    1.383   .     S
C612   H617    1.101   .     S
C612   C613    1.409   .     S
C613   C614    1.405   .     S
C613   O675    1.387   .     S
C614   H618    1.101   .     S
C614   C615    1.376   .     S
C615   H619    1.100   .     S
C620   C621    1.404   .     S
C620   C625    1.405   .     S
C620   O672    1.388   .     S
C621   C622    1.381   .     S
C621   H634    1.100   .     S
C622   H632    1.100   .     S
C622   C623    1.427   .     S
C623   C624    1.428   .     S
C623   C626    1.391   .     S
C624   H633    1.099   .     S
C624   C625    1.385   .     S
C625   H635    1.101   .     S
C626   N631    1.357   .     S
C626   N627    1.358   .     S
N627   C628    1.349   .     S
C628   C639    1.389   .     S
C628   N629    1.351   .     S
N629   C630    1.345   .     S
C630   N631    1.349   .     S
C636   C637    1.406   .     S
C636   O673    1.386   .     S
C636   C641    1.406   .     S
C637   H644    1.100   .     S
C637   C638    1.388   .     S
C638   C639    1.427   .     S
C638   H642    1.100   .     S
C639   C640    1.425   .     S
C640   H643    1.100   .     S
C640   C641    1.373   .     S
C641   H645    1.101   .     S
C646   C647    1.407   .     S
C646   C651    1.404   .     S
C646   O674    1.388   .     S
C647   H654    1.100   .     S
C647   C648    1.379   .     S
C648   H652    1.100   .     S
C648   C649    1.426   .     S
C649   C660    1.389   .     S
C649   C650    1.427   .     S
C650   C651    1.381   .     S
C650   H653    1.099   .     S
C651   H655    1.101   .     S
C656   N661    1.354   .     S
C656   C676    1.389   .     S
C656   N657    1.354   .     S
N657   C658    1.355   .     S
C658   C665    1.393   .     S
C658   N659    1.351   .     S
N659   C660    1.352   .     S
C660   N661    1.349   .     S
C662   C663    1.405   .     S
C662   C667    1.405   .     S
C663   H670    1.101   .     S
C663   C664    1.383   .     S
C664   H668    1.100   .     S
C664   C665    1.425   .     S
C665   C666    1.428   .     S
C666   C667    1.382   .     S
C666   H669    1.102   .     S
C667   H671    1.101   .     S
O672   C1574   1.382   .     S
O673   C1650   1.386   .     S
O674   C1954   1.386   .     S
O675   C679    1.389   .     S
C676   C681    1.425   .     S
C676   C677    1.428   .     S
C677   C678    1.380   .     S
C677   H682    1.100   .     S
C678   H683    1.101   .     S
C678   C679    1.405   .     S
C679   C680    1.406   .     S
C680   C681    1.381   .     S
C680   H684    1.100   .     S
C681   H685    1.100   .     S
C686   C706    1.383   .     S
C686   C691    1.427   .     S
C686   C687    1.425   .     S
C687   H692    1.100   .     S
C687   C688    1.380   .     S
C688   C689    1.408   .     S
C688   H693    1.101   .     S
C689   O751    1.387   .     S
C689   C690    1.406   .     S
C690   H694    1.102   .     S
C690   C691    1.377   .     S
C691   H695    1.100   .     S
C696   C697    1.406   .     S
C696   O748    1.387   .     S
C696   C701    1.406   .     S
C697   C698    1.387   .     S
C697   H710    1.100   .     S
C698   H708    1.101   .     S
C698   C699    1.426   .     S
C699   C702    1.389   .     S
C699   C700    1.424   .     S
C700   H709    1.101   .     S
C700   C701    1.374   .     S
C701   H711    1.101   .     S
C702   N707    1.348   .     S
C702   N703    1.350   .     S
N703   C704    1.343   .     S
C704   N705    1.345   .     S
C704   C715    1.384   .     S
N705   C706    1.353   .     S
C706   N707    1.356   .     S
C712   O749    1.381   .     S
C712   C717    1.408   .     S
C712   C713    1.403   .     S
C713   C714    1.376   .     S
C713   H720    1.101   .     S
C714   C715    1.424   .     S
C714   H718    1.099   .     S
C715   C716    1.420   .     S
C716   C717    1.379   .     S
C716   H719    1.100   .     S
C717   H721    1.100   .     S
C722   O750    1.391   .     S
C722   C723    1.404   .     S
C722   C727    1.408   .     S
C723   C724    1.386   .     S
C723   H730    1.097   .     S
C724   C725    1.428   .     S
C724   H728    1.100   .     S
C725   C736    1.391   .     S
C725   C726    1.423   .     S
C726   C727    1.378   .     S
C726   H729    1.101   .     S
C727   H731    1.103   .     S
C732   N737    1.347   .     S
C732   C752    1.386   .     S
C732   N733    1.349   .     S
N733   C734    1.350   .     S
C734   C741    1.388   .     S
C734   N735    1.353   .     S
N735   C736    1.351   .     S
C736   N737    1.355   .     S
C738   C743    1.408   .     S
C738   C739    1.406   .     S
C739   H746    1.101   .     S
C739   C740    1.378   .     S
C740   C741    1.424   .     S
C740   H744    1.101   .     S
C741   C742    1.425   .     S
C742   H745    1.100   .     S
C742   C743    1.382   .     S
C743   H747    1.100   .     S
O748   C3018   1.388   .     S
O749   C3094   1.379   .     S
O750   C2942   1.387   .     S
O751   C755    1.385   .     S
C752   C757    1.425   .     S
C752   C753    1.423   .     S
C753   H758    1.101   .     S
C753   C754    1.380   .     S
C754   C755    1.408   .     S
C754   H759    1.100   .     S
C755   C756    1.405   .     S
C756   H760    1.100   .     S
C756   C757    1.378   .     S
C757   H761    1.099   .     S
C762   C782    1.388   .     S
C762   C763    1.425   .     S
C762   C767    1.421   .     S
C763   C764    1.378   .     S
C763   H768    1.099   .     S
C764   H769    1.099   .     S
C764   C765    1.406   .     S
C765   C766    1.408   .     S
C765   O827    1.389   .     S
C766   C767    1.382   .     S
C766   H770    1.101   .     S
C767   H771    1.100   .     S
C772   O824    1.391   .     S
C772   C777    1.406   .     S
C772   C773    1.407   .     S
C773   H786    1.101   .     S
C773   C774    1.375   .     S
C774   H784    1.100   .     S
C774   C775    1.422   .     S
C775   C776    1.427   .     S
C775   C778    1.392   .     S
C776   C777    1.390   .     S
C776   H785    1.100   .     S
C777   H787    1.099   .     S
C778   N783    1.351   .     S
C778   N779    1.350   .     S
N779   C780    1.358   .     S
C780   C791    1.390   .     S
C780   N781    1.355   .     S
N781   C782    1.350   .     S
C782   N783    1.346   .     S
C788   O825    1.387   .     S
C788   C793    1.406   .     S
C788   C789    1.407   .     S
C789   H796    1.101   .     S
C789   C790    1.381   .     S
C790   C791    1.427   .     S
C790   H794    1.099   .     S
C791   C792    1.427   .     S
C792   C793    1.381   .     S
C792   H795    1.100   .     S
C793   H797    1.103   .     S
C798   C803    1.406   .     S
C798   C799    1.407   .     S
C798   O826    1.390   .     S
C799   C800    1.387   .     S
C799   H806    1.100   .     S
C800   H804    1.100   .     S
C800   C801    1.427   .     S
C801   C812    1.392   .     S
C801   C802    1.424   .     S
C802   H805    1.100   .     S
C802   C803    1.376   .     S
C803   H807    1.103   .     S
C808   C828    1.388   .     S
C808   N813    1.348   .     S
C808   N809    1.350   .     S
N809   C810    1.358   .     S
C810   C817    1.389   .     S
C810   N811    1.357   .     S
N811   C812    1.352   .     S
C812   N813    1.351   .     S
C814   C819    1.406   .     S
C814   C815    1.405   .     S
C815   H822    1.102   .     S
C815   C816    1.379   .     S
C816   H820    1.100   .     S
C816   C817    1.426   .     S
C817   C818    1.428   .     S
C818   C819    1.383   .     S
C818   H821    1.099   .     S
C819   H823    1.101   .     S
O824   C2182   1.390   .     S
O825   C2106   1.385   .     S
O826   C2258   1.388   .     S
O827   C831    1.388   .     S
C828   C829    1.426   .     S
C828   C833    1.423   .     S
C829   H834    1.099   .     S
C829   C830    1.378   .     S
C830   H835    1.100   .     S
C830   C831    1.404   .     S
C831   C832    1.408   .     S
C832   C833    1.382   .     S
C832   H836    1.101   .     S
C833   H837    1.101   .     S
C838   C839    1.428   .     S
C838   C843    1.426   .     S
C838   C858    1.388   .     S
C839   C840    1.383   .     S
C839   H844    1.100   .     S
C840   C841    1.407   .     S
C840   H845    1.100   .     S
C841   O903    1.391   .     S
C841   C842    1.407   .     S
C842   C843    1.380   .     S
C842   H846    1.101   .     S
C843   H847    1.101   .     S
C848   O900    1.391   .     S
C848   C849    1.406   .     S
C848   C853    1.409   .     S
C849   H862    1.099   .     S
C849   C850    1.387   .     S
C850   C851    1.427   .     S
C850   H860    1.100   .     S
C851   C854    1.391   .     S
C851   C852    1.423   .     S
C852   C853    1.378   .     S
C852   H861    1.101   .     S
C853   H863    1.101   .     S
C854   N859    1.351   .     S
C854   N855    1.352   .     S
N855   C856    1.352   .     S
C856   N857    1.351   .     S
C856   C867    1.392   .     S
N857   C858    1.357   .     S
C858   N859    1.355   .     S
C864   O901    1.391   .     S
C864   C865    1.408   .     S
C864   C869    1.406   .     S
C865   H872    1.102   .     S
C865   C866    1.378   .     S
C866   H870    1.101   .     S
C866   C867    1.424   .     S
C867   C868    1.427   .     S
C868   H871    1.100   .     S
C868   C869    1.388   .     S
C869   H873    1.100   .     S
C874   O902    1.388   .     S
C874   C875    1.405   .     S
C874   C879    1.407   .     S
C875   H882    1.101   .     S
C875   C876    1.385   .     S
C876   C877    1.426   .     S
C876   H880    1.100   .     S
C877   C878    1.423   .     S
C877   C888    1.392   .     S
C878   C879    1.379   .     S
C878   H881    1.099   .     S
C879   H883    1.101   .     S
C884   C904    1.388   .     S
C884   N885    1.352   .     S
C884   N889    1.352   .     S
N885   C886    1.349   .     S
C886   C893    1.385   .     S
C886   N887    1.351   .     S
N887   C888    1.347   .     S
C888   N889    1.349   .     S
C890   C891    1.406   .     S
C890   C895    1.406   .     S
C891   C892    1.381   .     S
C891   H898    1.101   .     S
C892   H896    1.101   .     S
C892   C893    1.425   .     S
C893   C894    1.425   .     S
C894   C895    1.376   .     S
C894   H897    1.100   .     S
C895   H899    1.102   .     S
O900   C1346   1.387   .     S
O901   C1422   1.388   .     S
O902   C1498   1.387   .     S
O903   C907    1.390   .     S
C904   C905    1.427   .     S
C904   C909    1.423   .     S
C905   C906    1.381   .     S
C905   H910    1.100   .     S
C906   H911    1.100   .     S
C906   C907    1.405   .     S
C907   C908    1.409   .     S
C908   C909    1.381   .     S
C908   H912    1.100   .     S
C909   H913    1.101   .     S
C914   C919    1.421   .     S
C914   C915    1.425   .     S
C914   C934    1.389   .     S
C915   H920    1.100   .     S
C915   C916    1.378   .     S
C916   C917    1.405   .     S
C916   H921    1.099   .     S
C917   O979    1.387   .     S
C917   C918    1.409   .     S
C918   C919    1.382   .     S
C918   H922    1.101   .     S
C919   H923    1.100   .     S
C924   O976    1.385   .     S
C924   C925    1.404   .     S
C924   C929    1.407   .     S
C925   C926    1.374   .     S
C925   H938    1.101   .     S
C926   C927    1.425   .     S
C926   H936    1.099   .     S
C927   C930    1.390   .     S
C927   C928    1.426   .     S
C928   H937    1.100   .     S
C928   C929    1.388   .     S
C929   H939    1.101   .     S
C930   N935    1.349   .     S
C930   N931    1.352   .     S
N931   C932    1.355   .     S
C932   C943    1.390   .     S
C932   N933    1.357   .     S
N933   C934    1.347   .     S
C934   N935    1.347   .     S
C940   C945    1.409   .     S
C940   C941    1.404   .     S
C940   O977    1.390   .     S
C941   C942    1.385   .     S
C941   H948    1.099   .     S
C942   H946    1.100   .     S
C942   C943    1.429   .     S
C943   C944    1.425   .     S
C944   H947    1.100   .     S
C944   C945    1.377   .     S
C945   H949    1.102   .     S
C950   C951    1.409   .     S
C950   O978    1.389   .     S
C950   C955    1.406   .     S
C951   H958    1.101   .     S
C951   C952    1.375   .     S
C952   C953    1.423   .     S
C952   H956    1.101   .     S
C953   C954    1.425   .     S
C953   C964    1.389   .     S
C954   C955    1.386   .     S
C954   H957    1.100   .     S
C955   H959    1.099   .     S
C960   N965    1.356   .     S
C960   N961    1.354   .     S
C960   C980    1.388   .     S
N961   C962    1.348   .     S
C962   N963    1.346   .     S
C962   C969    1.388   .     S
N963   C964    1.352   .     S
C964   N965    1.349   .     S
C966   C971    1.407   .     S
C966   C967    1.406   .     S
C967   H974    1.101   .     S
C967   C968    1.379   .     S
C968   H972    1.099   .     S
C968   C969    1.422   .     S
C969   C970    1.424   .     S
C970   H973    1.099   .     S
C970   C971    1.378   .     S
C971   H975    1.100   .     S
O976   C2866   1.386   .     S
O977   C2790   1.385   .     S
O978   C2030   1.385   .     S
O979   C983    1.389   .     S
C980   C985    1.426   .     S
C980   C981    1.426   .     S
C981   H986    1.101   .     S
C981   C982    1.382   .     S
C982   H987    1.101   .     S
C982   C983    1.407   .     S
C983   C984    1.407   .     S
C984   C985    1.379   .     S
C984   H988    1.102   .     S
C985   H989    1.099   .     S
C990   C1010   1.389   .     S
C990   C995    1.422   .     S
C990   C991    1.425   .     S
C991   C992    1.379   .     S
C991   H996    1.100   .     S
C992   C993    1.407   .     S
C992   H997    1.101   .     S
C993   C994    1.408   .     S
C993   O1055   1.392   .     S
C994   C995    1.381   .     S
C994   H998    1.101   .     S
C995   H999    1.100   .     S
C1000  C1001   1.407   .     S
C1000  C1005   1.405   .     S
C1000  O1052   1.387   .     S
C1001  H1014   1.101   .     S
C1001  C1002   1.377   .     S
C1002  H1012   1.100   .     S
C1002  C1003   1.423   .     S
C1003  C1004   1.428   .     S
C1003  C1006   1.391   .     S
C1004  C1005   1.387   .     S
C1004  H1013   1.099   .     S
C1005  H1015   1.099   .     S
C1006  N1011   1.352   .     S
C1006  N1007   1.350   .     S
N1007  C1008   1.356   .     S
C1008  N1009   1.355   .     S
C1008  C1019   1.388   .     S
N1009  C1010   1.350   .     S
C1010  N1011   1.348   .     S
C1016  C1017   1.408   .     S
C1016  C1021   1.405   .     S
C1016  O1053   1.392   .     S
C1017  C1018   1.382   .     S
C1017  H1024   1.101   .     S
C1018  C1019   1.425   .     S
C1018  H1022   1.101   .     S
C1019  C1020   1.428   .     S
C1020  H1023   1.100   .     S
C1020  C1021   1.382   .     S
C1021  H1025   1.100   .     S
C1026  O1054   1.386   .     S
C1026  C1031   1.406   .     S
C1026  C1027   1.406   .     S
C1027  C1028   1.385   .     S
C1027  H1034   1.099   .     S
C1028  H1032   1.099   .     S
C1028  C1029   1.424   .     S
C1029  C1040   1.390   .     S
C1029  C1030   1.423   .     S
C1030  C1031   1.377   .     S
C1030  H1033   1.100   .     S
C1031  H1035   1.101   .     S
C1036  N1037   1.349   .     S
C1036  N1041   1.349   .     S
C1036  C1056   1.386   .     S
N1037  C1038   1.354   .     S
C1038  N1039   1.356   .     S
C1038  C1045   1.388   .     S
N1039  C1040   1.349   .     S
C1040  N1041   1.347   .     S
C1042  C1047   1.410   .     S
C1042  C1043   1.405   .     S
C1043  H1050   1.098   .     S
C1043  C1044   1.382   .     S
C1044  H1048   1.101   .     S
C1044  C1045   1.427   .     S
C1045  C1046   1.424   .     S
C1046  H1049   1.101   .     S
C1046  C1047   1.380   .     S
C1047  H1051   1.101   .     S
O1052  C1802   1.386   .     S
O1053  C1878   1.387   .     S
O1054  C1726   1.384   .     S
O1055  C1059   1.386   .     S
C1056  C1057   1.426   .     S
C1056  C1061   1.423   .     S
C1057  C1058   1.376   .     S
C1057  H1062   1.099   .     S
C1058  C1059   1.405   .     S
C1058  H1063   1.099   .     S
C1059  C1060   1.407   .     S
C1060  C1061   1.382   .     S
C1060  H1064   1.100   .     S
C1061  H1065   1.099   .     S
C1066  C1067   1.427   .     S
C1066  C1086   1.386   .     S
C1066  C1071   1.427   .     S
C1067  H1072   1.100   .     S
C1067  C1068   1.380   .     S
C1068  H1073   1.101   .     S
C1068  C1069   1.406   .     S
C1069  C1070   1.407   .     S
C1069  O1131   1.389   .     S
C1070  H1074   1.101   .     S
C1070  C1071   1.381   .     S
C1071  H1075   1.100   .     S
C1076  O1128   1.390   .     S
C1076  C1077   1.406   .     S
C1076  C1081   1.408   .     S
C1077  H1090   1.098   .     S
C1077  C1078   1.388   .     S
C1078  C1079   1.426   .     S
C1078  H1088   1.100   .     S
C1079  C1080   1.423   .     S
C1079  C1082   1.392   .     S
C1080  H1089   1.100   .     S
C1080  C1081   1.374   .     S
C1081  H1091   1.102   .     S
C1082  N1083   1.348   .     S
C1082  N1087   1.346   .     S
N1083  C1084   1.349   .     S
C1084  C1095   1.391   .     S
C1084  N1085   1.350   .     S
N1085  C1086   1.359   .     S
C1086  N1087   1.360   .     S
C1092  O1129   1.389   .     S
C1092  C1093   1.409   .     S
C1092  C1097   1.406   .     S
C1093  C1094   1.374   .     S
C1093  H1100   1.102   .     S
C1094  C1095   1.423   .     S
C1094  H1098   1.101   .     S
C1095  C1096   1.426   .     S
C1096  C1097   1.390   .     S
C1096  H1099   1.100   .     S
C1097  H1101   1.098   .     S
C1102  C1107   1.409   .     S
C1102  O1130   1.392   .     S
C1102  C1103   1.406   .     S
C1103  C1104   1.382   .     S
C1103  H1110   1.099   .     S
C1104  C1105   1.425   .     S
C1104  H1108   1.101   .     S
C1105  C1116   1.389   .     S
C1105  C1106   1.424   .     S
C1106  H1109   1.101   .     S
C1106  C1107   1.379   .     S
C1107  H1111   1.101   .     S
C1112  C1132   1.386   .     S
C1112  N1117   1.351   .     S
C1112  N1113   1.349   .     S
N1113  C1114   1.352   .     S
C1114  N1115   1.352   .     S
C1114  C1121   1.384   .     S
N1115  C1116   1.349   .     S
C1116  N1117   1.349   .     S
C1118  C1119   1.407   .     S
C1118  C1123   1.404   .     S
C1119  H1126   1.101   .     S
C1119  C1120   1.377   .     S
C1120  H1124   1.100   .     S
C1120  C1121   1.424   .     S
C1121  C1122   1.427   .     S
C1122  H1125   1.098   .     S
C1122  C1123   1.380   .     S
C1123  H1127   1.101   .     S
O1128  C2562   1.389   .     S
O1129  C2638   1.388   .     S
O1130  C2714   1.388   .     S
O1131  C1135   1.389   .     S
C1132  C1137   1.423   .     S
C1132  C1133   1.425   .     S
C1133  C1134   1.379   .     S
C1133  H1138   1.099   .     S
C1134  C1135   1.407   .     S
C1134  H1139   1.100   .     S
C1135  C1136   1.408   .     S
C1136  C1137   1.381   .     S
C1136  H1140   1.101   .     S
C1137  H1141   1.100   .     S
C1142  C1143   1.426   .     S
C1142  C1147   1.424   .     S
C1142  C1162   1.387   .     S
C1143  C1144   1.380   .     S
C1143  H1148   1.100   .     S
C1144  C1145   1.405   .     S
C1144  H1149   1.100   .     S
C1145  C1146   1.407   .     S
C1145  O1207   1.389   .     S
C1146  H1150   1.101   .     S
C1146  C1147   1.379   .     S
C1147  H1151   1.100   .     S
C1152  C1153   1.405   .     S
C1152  O1204   1.386   .     S
C1152  C1157   1.407   .     S
C1153  C1154   1.383   .     S
C1153  H1166   1.100   .     S
C1154  H1164   1.100   .     S
C1154  C1155   1.425   .     S
C1155  C1158   1.390   .     S
C1155  C1156   1.423   .     S
C1156  H1165   1.100   .     S
C1156  C1157   1.380   .     S
C1157  H1167   1.101   .     S
C1158  N1163   1.349   .     S
C1158  N1159   1.351   .     S
N1159  C1160   1.348   .     S
C1160  C1171   1.386   .     S
C1160  N1161   1.351   .     S
N1161  C1162   1.350   .     S
C1162  N1163   1.354   .     S
C1168  C1173   1.407   .     S
C1168  C1169   1.403   .     S
C1168  O1205   1.383   .     S
C1169  C1170   1.378   .     S
C1169  H1176   1.101   .     S
C1170  C1171   1.425   .     S
C1170  H1174   1.100   .     S
C1171  C1172   1.424   .     S
C1172  H1175   1.100   .     S
C1172  C1173   1.380   .     S
C1173  H1177   1.100   .     S
C1178  C1179   1.405   .     S
C1178  O1206   1.389   .     S
C1178  C1183   1.407   .     S
C1179  C1180   1.385   .     S
C1179  H1186   1.099   .     S
C1180  C1181   1.427   .     S
C1180  H1184   1.101   .     S
C1181  C1192   1.391   .     S
C1181  C1182   1.426   .     S
C1182  H1185   1.100   .     S
C1182  C1183   1.380   .     S
C1183  H1187   1.100   .     S
C1188  C1208   1.388   .     S
C1188  N1193   1.348   .     S
C1188  N1189   1.347   .     S
N1189  C1190   1.350   .     S
C1190  N1191   1.351   .     S
C1190  C1197   1.392   .     S
N1191  C1192   1.357   .     S
C1192  N1193   1.356   .     S
C1194  C1195   1.406   .     S
C1194  C1199   1.406   .     S
C1195  H1202   1.102   .     S
C1195  C1196   1.374   .     S
C1196  H1200   1.099   .     S
C1196  C1197   1.425   .     S
C1197  C1198   1.427   .     S
C1198  H1201   1.101   .     S
C1198  C1199   1.387   .     S
C1199  H1203   1.101   .     S
O1204  C3322   1.385   .     S
O1205  C3246   1.378   .     S
O1206  C3170   1.384   .     S
O1207  C1211   1.386   .     S
C1208  C1213   1.424   .     S
C1208  C1209   1.423   .     S
C1209  C1210   1.382   .     S
C1209  H1214   1.100   .     S
C1210  C1211   1.407   .     S
C1210  H1215   1.100   .     S
C1211  C1212   1.405   .     S
C1212  H1216   1.100   .     S
C1212  C1213   1.377   .     S
C1213  H1217   1.099   .     S
C1218  C1223   1.424   .     S
C1218  C1238   1.386   .     S
C1218  C1219   1.426   .     S
C1219  H1224   1.100   .     S
C1219  C1220   1.378   .     S
C1220  H1225   1.100   .     S
C1220  C1221   1.407   .     S
C1221  O1283   1.391   .     S
C1221  C1222   1.408   .     S
C1222  C1223   1.382   .     S
C1222  H1226   1.101   .     S
C1223  H1227   1.101   .     S
C1228  C1229   1.408   .     S
C1228  O1280   1.378   .     S
C1228  C1233   1.402   .     S
C1229  H1242   1.100   .     S
C1229  C1230   1.380   .     S
C1230  H1240   1.099   .     S
C1230  C1231   1.420   .     S
C1231  C1234   1.384   .     S
C1231  C1232   1.422   .     S
C1232  H1241   1.100   .     S
C1232  C1233   1.375   .     S
C1233  H1243   1.101   .     S
C1234  N1235   1.344   .     S
C1234  N1239   1.344   .     S
N1235  C1236   1.348   .     S
C1236  N1237   1.349   .     S
C1236  C1247   1.389   .     S
N1237  C1238   1.355   .     S
C1238  N1239   1.354   .     S
C1244  C1245   1.404   .     S
C1244  C1249   1.407   .     S
C1244  O1281   1.386   .     S
C1245  H1252   1.101   .     S
C1245  C1246   1.375   .     S
C1246  H1250   1.101   .     S
C1246  C1247   1.424   .     S
C1247  C1248   1.426   .     S
C1248  H1251   1.099   .     S
C1248  C1249   1.386   .     S
C1249  H1253   1.101   .     S
C1254  O1282   1.383   .     S
C1254  C1259   1.405   .     S
C1254  C1255   1.406   .     S
C1255  H1262   1.100   .     S
C1255  C1256   1.379   .     S
C1256  H1260   1.099   .     S
C1256  C1257   1.424   .     S
C1257  C1258   1.423   .     S
C1257  C1268   1.386   .     S
C1258  H1261   1.100   .     S
C1258  C1259   1.380   .     S
C1259  H1263   1.100   .     S
C1264  N1269   1.351   .     S
C1264  C1284   1.387   .     S
C1264  N1265   1.351   .     S
N1265  C1266   1.351   .     S
C1266  C1273   1.387   .     S
C1266  N1267   1.348   .     S
N1267  C1268   1.350   .     S
C1268  N1269   1.350   .     S
C1270  C1271   1.409   .     S
C1270  C1275   1.405   .     S
C1271  H1278   1.103   .     S
C1271  C1272   1.379   .     S
C1272  H1276   1.100   .     S
C1272  C1273   1.423   .     S
C1273  C1274   1.427   .     S
C1274  C1275   1.380   .     S
C1274  H1277   1.102   .     S
C1275  H1279   1.101   .     S
O1280  C2486   1.378   .     S
O1281  C2410   1.388   .     S
O1282  C2334   1.381   .     S
O1283  C1287   1.388   .     S
C1284  C1289   1.425   .     S
C1284  C1285   1.426   .     S
C1285  C1286   1.380   .     S
C1285  H1290   1.100   .     S
C1286  C1287   1.407   .     S
C1286  H1291   1.100   .     S
C1287  C1288   1.405   .     S
C1288  C1289   1.380   .     S
C1288  H1292   1.101   .     S
C1289  H1293   1.099   .     S
C1294  C1299   1.423   .     S
C1294  C1295   1.424   .     S
C1294  C1314   1.384   .     S
C1295  H1300   1.100   .     S
C1295  C1296   1.376   .     S
C1296  H1301   1.103   .     S
C1296  C1297   1.406   .     S
C1297  O1359   1.383   .     S
C1297  C1298   1.406   .     S
C1298  H1302   1.103   .     S
C1298  C1299   1.379   .     S
C1299  H1303   1.100   .     S
C1304  C1309   1.401   .     S
C1304  H1356   1.100   .     S
C1304  C1305   1.400   .     S
C1305  C1306   1.385   .     S
C1305  H1318   1.101   .     S
C1306  C1307   1.429   .     S
C1306  H1316   1.099   .     S
C1307  C1308   1.427   .     S
C1307  C1310   1.384   .     S
C1308  H1317   1.100   .     S
C1308  C1309   1.384   .     S
C1309  H1319   1.099   .     S
C1310  N1315   1.347   .     S
C1310  N1311   1.350   .     S
N1311  C1312   1.352   .     S
C1312  N1313   1.354   .     S
C1312  C1323   1.382   .     S
N1313  C1314   1.346   .     S
C1314  N1315   1.348   .     S
C1320  C1325   1.400   .     S
C1320  C1321   1.400   .     S
C1320  H1357   1.100   .     S
C1321  C1322   1.384   .     S
C1321  H1328   1.101   .     S
C1322  H1326   1.100   .     S
C1322  C1323   1.430   .     S
C1323  C1324   1.429   .     S
C1324  H1327   1.099   .     S
C1324  C1325   1.384   .     S
C1325  H1329   1.100   .     S
C1330  H1358   1.099   .     S
C1330  C1331   1.400   .     S
C1330  C1335   1.401   .     S
C1331  H1338   1.099   .     S
C1331  C1332   1.385   .     S
C1332  H1336   1.099   .     S
C1332  C1333   1.426   .     S
C1333  C1334   1.426   .     S
C1333  C1344   1.383   .     S
C1334  C1335   1.384   .     S
C1334  H1337   1.099   .     S
C1335  H1339   1.099   .     S
C1340  N1345   1.350   .     S
C1340  N1341   1.354   .     S
C1340  C1360   1.383   .     S
N1341  C1342   1.352   .     S
C1342  C1349   1.391   .     S
C1342  N1343   1.353   .     S
N1343  C1344   1.345   .     S
C1344  N1345   1.344   .     S
C1346  C1347   1.406   .     S
C1346  C1351   1.406   .     S
C1347  C1348   1.387   .     S
C1347  H1354   1.100   .     S
C1348  C1349   1.427   .     S
C1348  H1352   1.100   .     S
C1349  C1350   1.424   .     S
C1350  C1351   1.375   .     S
C1350  H1353   1.101   .     S
C1351  H1355   1.102   .     S
O1359  C1363   1.385   .     S
C1360  C1365   1.423   .     S
C1360  C1361   1.426   .     S
C1361  C1362   1.376   .     S
C1361  H1366   1.100   .     S
C1362  H1367   1.099   .     S
C1362  C1363   1.405   .     S
C1363  C1364   1.407   .     S
C1364  H1368   1.100   .     S
C1364  C1365   1.380   .     S
C1365  H1369   1.100   .     S
C1370  C1390   1.384   .     S
C1370  C1375   1.424   .     S
C1370  C1371   1.424   .     S
C1371  H1376   1.100   .     S
C1371  C1372   1.378   .     S
C1372  H1377   1.101   .     S
C1372  C1373   1.407   .     S
C1373  O1435   1.384   .     S
C1373  C1374   1.405   .     S
C1374  H1378   1.102   .     S
C1374  C1375   1.378   .     S
C1375  H1379   1.099   .     S
C1380  C1385   1.400   .     S
C1380  H1432   1.100   .     S
C1380  C1381   1.401   .     S
C1381  H1394   1.100   .     S
C1381  C1382   1.385   .     S
C1382  C1383   1.427   .     S
C1382  H1392   1.100   .     S
C1383  C1384   1.427   .     S
C1383  C1386   1.383   .     S
C1384  C1385   1.384   .     S
C1384  H1393   1.100   .     S
C1385  H1395   1.100   .     S
C1386  N1387   1.349   .     S
C1386  N1391   1.349   .     S
N1387  C1388   1.350   .     S
C1388  N1389   1.351   .     S
C1388  C1399   1.384   .     S
N1389  C1390   1.349   .     S
C1390  N1391   1.348   .     S
C1396  C1397   1.401   .     S
C1396  C1401   1.401   .     S
C1396  H1433   1.099   .     S
C1397  C1398   1.384   .     S
C1397  H1404   1.099   .     S
C1398  H1402   1.099   .     S
C1398  C1399   1.428   .     S
C1399  C1400   1.428   .     S
C1400  C1401   1.385   .     S
C1400  H1403   1.099   .     S
C1401  H1405   1.099   .     S
C1406  H1434   1.100   .     S
C1406  C1407   1.400   .     S
C1406  C1411   1.401   .     S
C1407  H1414   1.099   .     S
C1407  C1408   1.385   .     S
C1408  C1409   1.426   .     S
C1408  H1412   1.099   .     S
C1409  C1410   1.426   .     S
C1409  C1420   1.385   .     S
C1410  C1411   1.384   .     S
C1410  H1413   1.099   .     S
C1411  H1415   1.100   .     S
C1416  N1421   1.350   .     S
C1416  N1417   1.355   .     S
C1416  C1436   1.384   .     S
N1417  C1418   1.352   .     S
C1418  N1419   1.353   .     S
C1418  C1425   1.391   .     S
N1419  C1420   1.346   .     S
C1420  N1421   1.345   .     S
C1422  C1427   1.406   .     S
C1422  C1423   1.406   .     S
C1423  H1430   1.101   .     S
C1423  C1424   1.388   .     S
C1424  H1428   1.101   .     S
C1424  C1425   1.428   .     S
C1425  C1426   1.424   .     S
C1426  H1429   1.101   .     S
C1426  C1427   1.376   .     S
C1427  H1431   1.102   .     S
O1435  C1439   1.386   .     S
C1436  C1437   1.426   .     S
C1436  C1441   1.424   .     S
C1437  H1442   1.100   .     S
C1437  C1438   1.376   .     S
C1438  H1443   1.101   .     S
C1438  C1439   1.405   .     S
C1439  C1440   1.406   .     S
C1440  C1441   1.382   .     S
C1440  H1444   1.102   .     S
C1441  H1445   1.099   .     S
C1446  C1466   1.387   .     S
C1446  C1451   1.421   .     S
C1446  C1447   1.424   .     S
C1447  H1452   1.099   .     S
C1447  C1448   1.381   .     S
C1448  C1449   1.406   .     S
C1448  H1453   1.101   .     S
C1449  O1511   1.382   .     S
C1449  C1450   1.407   .     S
C1450  C1451   1.377   .     S
C1450  H1454   1.102   .     S
C1451  H1455   1.100   .     S
C1456  H1508   1.100   .     S
C1456  C1457   1.400   .     S
C1456  C1461   1.400   .     S
C1457  H1470   1.101   .     S
C1457  C1458   1.386   .     S
C1458  C1459   1.430   .     S
C1458  H1468   1.099   .     S
C1459  C1462   1.382   .     S
C1459  C1460   1.428   .     S
C1460  H1469   1.100   .     S
C1460  C1461   1.384   .     S
C1461  H1471   1.099   .     S
C1462  N1467   1.353   .     S
C1462  N1463   1.352   .     S
N1463  C1464   1.349   .     S
C1464  N1465   1.349   .     S
C1464  C1475   1.384   .     S
N1465  C1466   1.347   .     S
C1466  N1467   1.347   .     S
C1472  C1477   1.400   .     S
C1472  C1473   1.401   .     S
C1472  H1509   1.100   .     S
C1473  H1480   1.099   .     S
C1473  C1474   1.385   .     S
C1474  C1475   1.427   .     S
C1474  H1478   1.099   .     S
C1475  C1476   1.429   .     S
C1476  H1479   1.100   .     S
C1476  C1477   1.385   .     S
C1477  H1481   1.100   .     S
C1482  C1487   1.400   .     S
C1482  C1483   1.399   .     S
C1482  H1510   1.099   .     S
C1483  H1490   1.099   .     S
C1483  C1484   1.385   .     S
C1484  H1488   1.100   .     S
C1484  C1485   1.428   .     S
C1485  C1496   1.382   .     S
C1485  C1486   1.429   .     S
C1486  C1487   1.384   .     S
C1486  H1489   1.099   .     S
C1487  H1491   1.098   .     S
C1492  N1497   1.349   .     S
C1492  C1512   1.388   .     S
C1492  N1493   1.351   .     S
N1493  C1494   1.353   .     S
C1494  C1501   1.387   .     S
C1494  N1495   1.348   .     S
N1495  C1496   1.351   .     S
C1496  N1497   1.350   .     S
C1498  C1503   1.403   .     S
C1498  C1499   1.410   .     S
C1499  H1506   1.103   .     S
C1499  C1500   1.378   .     S
C1500  C1501   1.423   .     S
C1500  H1504   1.100   .     S
C1501  C1502   1.426   .     S
C1502  C1503   1.382   .     S
C1502  H1505   1.101   .     S
C1503  H1507   1.098   .     S
O1511  C1515   1.388   .     S
C1512  C1517   1.424   .     S
C1512  C1513   1.427   .     S
C1513  C1514   1.382   .     S
C1513  H1518   1.101   .     S
C1514  C1515   1.405   .     S
C1514  H1519   1.100   .     S
C1515  C1516   1.407   .     S
C1516  H1520   1.103   .     S
C1516  C1517   1.379   .     S
C1517  H1521   1.100   .     S
C1522  C1527   1.422   .     S
C1522  C1523   1.425   .     S
C1522  C1542   1.388   .     S
C1523  H1528   1.098   .     S
C1523  C1524   1.382   .     S
C1524  C1525   1.404   .     S
C1524  H1529   1.101   .     S
C1525  C1526   1.407   .     S
C1525  O1587   1.383   .     S
C1526  H1530   1.102   .     S
C1526  C1527   1.377   .     S
C1527  H1531   1.099   .     S
C1532  C1533   1.400   .     S
C1532  H1584   1.100   .     S
C1532  C1537   1.400   .     S
C1533  H1546   1.099   .     S
C1533  C1534   1.384   .     S
C1534  H1544   1.100   .     S
C1534  C1535   1.428   .     S
C1535  C1536   1.429   .     S
C1535  C1538   1.382   .     S
C1536  C1537   1.385   .     S
C1536  H1545   1.100   .     S
C1537  H1547   1.099   .     S
C1538  N1539   1.351   .     S
C1538  N1543   1.352   .     S
N1539  C1540   1.350   .     S
C1540  C1551   1.383   .     S
C1540  N1541   1.348   .     S
N1541  C1542   1.348   .     S
C1542  N1543   1.347   .     S
C1548  C1549   1.402   .     S
C1548  H1585   1.100   .     S
C1548  C1553   1.400   .     S
C1549  H1556   1.099   .     S
C1549  C1550   1.384   .     S
C1550  H1554   1.098   .     S
C1550  C1551   1.427   .     S
C1551  C1552   1.430   .     S
C1552  C1553   1.385   .     S
C1552  H1555   1.099   .     S
C1553  H1557   1.101   .     S
C1558  C1563   1.400   .     S
C1558  C1559   1.400   .     S
C1558  H1586   1.099   .     S
C1559  C1560   1.384   .     S
C1559  H1566   1.100   .     S
C1560  H1564   1.100   .     S
C1560  C1561   1.430   .     S
C1561  C1562   1.430   .     S
C1561  C1572   1.381   .     S
C1562  H1565   1.100   .     S
C1562  C1563   1.385   .     S
C1563  H1567   1.100   .     S
C1568  N1573   1.345   .     S
C1568  N1569   1.346   .     S
C1568  C1588   1.388   .     S
N1569  C1570   1.349   .     S
C1570  C1577   1.388   .     S
C1570  N1571   1.345   .     S
N1571  C1572   1.357   .     S
C1572  N1573   1.355   .     S
C1574  C1575   1.407   .     S
C1574  C1579   1.405   .     S
C1575  C1576   1.376   .     S
C1575  H1582   1.102   .     S
C1576  C1577   1.420   .     S
C1576  H1580   1.100   .     S
C1577  C1578   1.424   .     S
C1578  H1581   1.101   .     S
C1578  C1579   1.385   .     S
C1579  H1583   1.102   .     S
O1587  C1591   1.385   .     S
C1588  C1589   1.424   .     S
C1588  C1593   1.423   .     S
C1589  H1594   1.101   .     S
C1589  C1590   1.385   .     S
C1590  H1595   1.100   .     S
C1590  C1591   1.406   .     S
C1591  C1592   1.407   .     S
C1592  H1596   1.103   .     S
C1592  C1593   1.376   .     S
C1593  H1597   1.100   .     S
C1598  C1618   1.384   .     S
C1598  C1599   1.424   .     S
C1598  C1603   1.423   .     S
C1599  C1600   1.379   .     S
C1599  H1604   1.099   .     S
C1600  H1605   1.101   .     S
C1600  C1601   1.406   .     S
C1601  O1663   1.384   .     S
C1601  C1602   1.407   .     S
C1602  H1606   1.102   .     S
C1602  C1603   1.377   .     S
C1603  H1607   1.100   .     S
C1608  C1609   1.400   .     S
C1608  H1660   1.100   .     S
C1608  C1613   1.401   .     S
C1609  C1610   1.385   .     S
C1609  H1622   1.099   .     S
C1610  H1620   1.099   .     S
C1610  C1611   1.429   .     S
C1611  C1612   1.428   .     S
C1611  C1614   1.383   .     S
C1612  C1613   1.385   .     S
C1612  H1621   1.100   .     S
C1613  H1623   1.099   .     S
C1614  N1615   1.350   .     S
C1614  N1619   1.348   .     S
N1615  C1616   1.350   .     S
C1616  N1617   1.351   .     S
C1616  C1627   1.383   .     S
N1617  C1618   1.348   .     S
C1618  N1619   1.348   .     S
C1624  C1629   1.400   .     S
C1624  C1625   1.401   .     S
C1624  H1661   1.099   .     S
C1625  H1632   1.098   .     S
C1625  C1626   1.384   .     S
C1626  C1627   1.428   .     S
C1626  H1630   1.100   .     S
C1627  C1628   1.429   .     S
C1628  H1631   1.099   .     S
C1628  C1629   1.384   .     S
C1629  H1633   1.101   .     S
C1634  C1639   1.400   .     S
C1634  C1635   1.400   .     S
C1634  H1662   1.099   .     S
C1635  H1642   1.099   .     S
C1635  C1636   1.385   .     S
C1636  H1640   1.099   .     S
C1636  C1637   1.427   .     S
C1637  C1648   1.381   .     S
C1637  C1638   1.428   .     S
C1638  C1639   1.385   .     S
C1638  H1641   1.099   .     S
C1639  H1643   1.099   .     S
C1644  N1645   1.352   .     S
C1644  N1649   1.346   .     S
C1644  C1664   1.386   .     S
N1645  C1646   1.353   .     S
C1646  N1647   1.350   .     S
C1646  C1653   1.391   .     S
N1647  C1648   1.351   .     S
C1648  N1649   1.347   .     S
C1650  C1651   1.408   .     S
C1650  C1655   1.404   .     S
C1651  H1658   1.102   .     S
C1651  C1652   1.379   .     S
C1652  H1656   1.100   .     S
C1652  C1653   1.422   .     S
C1653  C1654   1.429   .     S
C1654  H1657   1.100   .     S
C1654  C1655   1.385   .     S
C1655  H1659   1.099   .     S
O1663  C1667   1.384   .     S
C1664  C1669   1.422   .     S
C1664  C1665   1.427   .     S
C1665  H1670   1.100   .     S
C1665  C1666   1.380   .     S
C1666  C1667   1.405   .     S
C1666  H1671   1.101   .     S
C1667  C1668   1.406   .     S
C1668  H1672   1.101   .     S
C1668  C1669   1.379   .     S
C1669  H1673   1.099   .     S
C1674  C1675   1.424   .     S
C1674  C1679   1.423   .     S
C1674  C1694   1.385   .     S
C1675  H1680   1.100   .     S
C1675  C1676   1.378   .     S
C1676  H1681   1.101   .     S
C1676  C1677   1.406   .     S
C1677  C1678   1.407   .     S
C1677  O1739   1.385   .     S
C1678  C1679   1.379   .     S
C1678  H1682   1.101   .     S
C1679  H1683   1.100   .     S
C1684  C1685   1.401   .     S
C1684  H1736   1.099   .     S
C1684  C1689   1.400   .     S
C1685  H1698   1.101   .     S
C1685  C1686   1.384   .     S
C1686  H1696   1.100   .     S
C1686  C1687   1.428   .     S
C1687  C1690   1.383   .     S
C1687  C1688   1.427   .     S
C1688  C1689   1.385   .     S
C1688  H1697   1.099   .     S
C1689  H1699   1.099   .     S
C1690  N1691   1.348   .     S
C1690  N1695   1.348   .     S
N1691  C1692   1.350   .     S
C1692  C1703   1.383   .     S
C1692  N1693   1.351   .     S
N1693  C1694   1.348   .     S
C1694  N1695   1.347   .     S
C1700  H1737   1.099   .     S
C1700  C1701   1.401   .     S
C1700  C1705   1.401   .     S
C1701  H1708   1.099   .     S
C1701  C1702   1.385   .     S
C1702  H1706   1.099   .     S
C1702  C1703   1.428   .     S
C1703  C1704   1.429   .     S
C1704  C1705   1.384   .     S
C1704  H1707   1.099   .     S
C1705  H1709   1.100   .     S
C1710  H1738   1.100   .     S
C1710  C1715   1.402   .     S
C1710  C1711   1.400   .     S
C1711  H1718   1.099   .     S
C1711  C1712   1.384   .     S
C1712  C1713   1.427   .     S
C1712  H1716   1.100   .     S
C1713  C1724   1.383   .     S
C1713  C1714   1.427   .     S
C1714  C1715   1.384   .     S
C1714  H1717   1.099   .     S
C1715  H1719   1.099   .     S
C1720  C1740   1.385   .     S
C1720  N1721   1.354   .     S
C1720  N1725   1.350   .     S
N1721  C1722   1.351   .     S
C1722  C1729   1.390   .     S
C1722  N1723   1.351   .     S
N1723  C1724   1.346   .     S
C1724  N1725   1.345   .     S
C1726  C1727   1.406   .     S
C1726  C1731   1.403   .     S
C1727  H1734   1.101   .     S
C1727  C1728   1.386   .     S
C1728  H1732   1.099   .     S
C1728  C1729   1.425   .     S
C1729  C1730   1.426   .     S
C1730  C1731   1.377   .     S
C1730  H1733   1.100   .     S
C1731  H1735   1.102   .     S
O1739  C1743   1.387   .     S
C1740  C1745   1.423   .     S
C1740  C1741   1.426   .     S
C1741  H1746   1.100   .     S
C1741  C1742   1.377   .     S
C1742  H1747   1.100   .     S
C1742  C1743   1.405   .     S
C1743  C1744   1.409   .     S
C1744  H1748   1.102   .     S
C1744  C1745   1.381   .     S
C1745  H1749   1.100   .     S
C1750  C1751   1.424   .     S
C1750  C1770   1.383   .     S
C1750  C1755   1.423   .     S
C1751  H1756   1.100   .     S
C1751  C1752   1.378   .     S
C1752  C1753   1.408   .     S
C1752  H1757   1.101   .     S
C1753  C1754   1.406   .     S
C1753  O1815   1.385   .     S
C1754  C1755   1.378   .     S
C1754  H1758   1.101   .     S
C1755  H1759   1.099   .     S
C1760  C1765   1.401   .     S
C1760  H1812   1.099   .     S
C1760  C1761   1.401   .     S
C1761  C1762   1.384   .     S
C1761  H1774   1.100   .     S
C1762  C1763   1.428   .     S
C1762  H1772   1.099   .     S
C1763  C1764   1.427   .     S
C1763  C1766   1.383   .     S
C1764  H1773   1.100   .     S
C1764  C1765   1.385   .     S
C1765  H1775   1.099   .     S
C1766  N1767   1.349   .     S
C1766  N1771   1.349   .     S
N1767  C1768   1.350   .     S
C1768  N1769   1.350   .     S
C1768  C1779   1.383   .     S
N1769  C1770   1.349   .     S
C1770  N1771   1.349   .     S
C1776  C1781   1.400   .     S
C1776  H1813   1.100   .     S
C1776  C1777   1.400   .     S
C1777  C1778   1.385   .     S
C1777  H1784   1.100   .     S
C1778  H1782   1.100   .     S
C1778  C1779   1.428   .     S
C1779  C1780   1.429   .     S
C1780  C1781   1.384   .     S
C1780  H1783   1.098   .     S
C1781  H1785   1.101   .     S
C1786  H1814   1.099   .     S
C1786  C1787   1.401   .     S
C1786  C1791   1.402   .     S
C1787  H1794   1.099   .     S
C1787  C1788   1.385   .     S
C1788  H1792   1.099   .     S
C1788  C1789   1.426   .     S
C1789  C1790   1.426   .     S
C1789  C1800   1.385   .     S
C1790  H1793   1.100   .     S
C1790  C1791   1.384   .     S
C1791  H1795   1.100   .     S
C1796  N1801   1.350   .     S
C1796  N1797   1.357   .     S
C1796  C1816   1.385   .     S
N1797  C1798   1.352   .     S
C1798  C1805   1.392   .     S
C1798  N1799   1.354   .     S
N1799  C1800   1.344   .     S
C1800  N1801   1.345   .     S
C1802  C1803   1.407   .     S
C1802  C1807   1.405   .     S
C1803  C1804   1.388   .     S
C1803  H1810   1.102   .     S
C1804  H1808   1.101   .     S
C1804  C1805   1.425   .     S
C1805  C1806   1.424   .     S
C1806  C1807   1.375   .     S
C1806  H1809   1.100   .     S
C1807  H1811   1.101   .     S
O1815  C1819   1.385   .     S
C1816  C1821   1.424   .     S
C1816  C1817   1.426   .     S
C1817  H1822   1.101   .     S
C1817  C1818   1.376   .     S
C1818  H1823   1.101   .     S
C1818  C1819   1.404   .     S
C1819  C1820   1.408   .     S
C1820  C1821   1.382   .     S
C1820  H1824   1.102   .     S
C1821  H1825   1.099   .     S
C1826  C1831   1.423   .     S
C1826  C1827   1.424   .     S
C1826  C1846   1.384   .     S
C1827  H1832   1.099   .     S
C1827  C1828   1.378   .     S
C1828  H1833   1.102   .     S
C1828  C1829   1.406   .     S
C1829  O1891   1.383   .     S
C1829  C1830   1.407   .     S
C1830  H1834   1.102   .     S
C1830  C1831   1.378   .     S
C1831  H1835   1.101   .     S
C1836  H1888   1.100   .     S
C1836  C1841   1.401   .     S
C1836  C1837   1.400   .     S
C1837  C1838   1.385   .     S
C1837  H1850   1.100   .     S
C1838  C1839   1.428   .     S
C1838  H1848   1.099   .     S
C1839  C1842   1.383   .     S
C1839  C1840   1.429   .     S
C1840  H1849   1.099   .     S
C1840  C1841   1.384   .     S
C1841  H1851   1.099   .     S
C1842  N1843   1.349   .     S
C1842  N1847   1.348   .     S
N1843  C1844   1.349   .     S
C1844  C1855   1.383   .     S
C1844  N1845   1.350   .     S
N1845  C1846   1.349   .     S
C1846  N1847   1.349   .     S
C1852  C1853   1.400   .     S
C1852  H1889   1.100   .     S
C1852  C1857   1.400   .     S
C1853  C1854   1.384   .     S
C1853  H1860   1.099   .     S
C1854  C1855   1.428   .     S
C1854  H1858   1.100   .     S
C1855  C1856   1.428   .     S
C1856  C1857   1.385   .     S
C1856  H1859   1.099   .     S
C1857  H1861   1.100   .     S
C1862  C1863   1.401   .     S
C1862  C1867   1.400   .     S
C1862  H1890   1.100   .     S
C1863  H1870   1.099   .     S
C1863  C1864   1.384   .     S
C1864  C1865   1.428   .     S
C1864  H1868   1.099   .     S
C1865  C1876   1.383   .     S
C1865  C1866   1.427   .     S
C1866  H1869   1.099   .     S
C1866  C1867   1.385   .     S
C1867  H1871   1.098   .     S
C1872  C1892   1.386   .     S
C1872  N1877   1.349   .     S
C1872  N1873   1.353   .     S
N1873  C1874   1.353   .     S
C1874  C1881   1.388   .     S
C1874  N1875   1.350   .     S
N1875  C1876   1.347   .     S
C1876  N1877   1.349   .     S
C1878  C1879   1.408   .     S
C1878  C1883   1.404   .     S
C1879  H1886   1.102   .     S
C1879  C1880   1.381   .     S
C1880  C1881   1.423   .     S
C1880  H1884   1.100   .     S
C1881  C1882   1.427   .     S
C1882  C1883   1.381   .     S
C1882  H1885   1.100   .     S
C1883  H1887   1.100   .     S
O1891  C1895   1.384   .     S
C1892  C1893   1.426   .     S
C1892  C1897   1.424   .     S
C1893  C1894   1.378   .     S
C1893  H1898   1.100   .     S
C1894  C1895   1.405   .     S
C1894  H1899   1.101   .     S
C1895  C1896   1.406   .     S
C1896  C1897   1.380   .     S
C1896  H1900   1.102   .     S
C1897  H1901   1.099   .     S
C1902  C1903   1.426   .     S
C1902  C1907   1.423   .     S
C1902  C1922   1.384   .     S
C1903  H1908   1.100   .     S
C1903  C1904   1.380   .     S
C1904  H1909   1.101   .     S
C1904  C1905   1.405   .     S
C1905  C1906   1.407   .     S
C1905  O1967   1.384   .     S
C1906  C1907   1.378   .     S
C1906  H1910   1.102   .     S
C1907  H1911   1.100   .     S
C1912  C1917   1.401   .     S
C1912  H1964   1.098   .     S
C1912  C1913   1.400   .     S
C1913  C1914   1.385   .     S
C1913  H1926   1.099   .     S
C1914  C1915   1.428   .     S
C1914  H1924   1.100   .     S
C1915  C1916   1.428   .     S
C1915  C1918   1.382   .     S
C1916  C1917   1.384   .     S
C1916  H1925   1.099   .     S
C1917  H1927   1.098   .     S
C1918  N1919   1.349   .     S
C1918  N1923   1.349   .     S
N1919  C1920   1.346   .     S
C1920  N1921   1.349   .     S
C1920  C1931   1.382   .     S
N1921  C1922   1.351   .     S
C1922  N1923   1.350   .     S
C1928  C1929   1.400   .     S
C1928  C1933   1.400   .     S
C1928  H1965   1.100   .     S
C1929  C1930   1.385   .     S
C1929  H1936   1.098   .     S
C1930  H1934   1.101   .     S
C1930  C1931   1.429   .     S
C1931  C1932   1.427   .     S
C1932  C1933   1.385   .     S
C1932  H1935   1.099   .     S
C1933  H1937   1.100   .     S
C1938  C1943   1.400   .     S
C1938  H1966   1.100   .     S
C1938  C1939   1.401   .     S
C1939  H1946   1.099   .     S
C1939  C1940   1.386   .     S
C1940  H1944   1.098   .     S
C1940  C1941   1.428   .     S
C1941  C1952   1.384   .     S
C1941  C1942   1.427   .     S
C1942  H1945   1.099   .     S
C1942  C1943   1.384   .     S
C1943  H1947   1.099   .     S
C1948  N1953   1.348   .     S
C1948  N1949   1.350   .     S
C1948  C1968   1.386   .     S
N1949  C1950   1.350   .     S
C1950  N1951   1.347   .     S
C1950  C1957   1.385   .     S
N1951  C1952   1.349   .     S
C1952  N1953   1.352   .     S
C1954  C1959   1.405   .     S
C1954  C1955   1.410   .     S
C1955  H1962   1.101   .     S
C1955  C1956   1.378   .     S
C1956  C1957   1.422   .     S
C1956  H1960   1.100   .     S
C1957  C1958   1.424   .     S
C1958  C1959   1.378   .     S
C1958  H1961   1.100   .     S
C1959  H1963   1.101   .     S
O1967  C1971   1.384   .     S
C1968  C1973   1.424   .     S
C1968  C1969   1.424   .     S
C1969  C1970   1.381   .     S
C1969  H1974   1.099   .     S
C1970  H1975   1.099   .     S
C1970  C1971   1.406   .     S
C1971  C1972   1.405   .     S
C1972  H1976   1.102   .     S
C1972  C1973   1.377   .     S
C1973  H1977   1.100   .     S
C1978  C1979   1.424   .     S
C1978  C1983   1.422   .     S
C1978  C1998   1.382   .     S
C1979  H1984   1.099   .     S
C1979  C1980   1.377   .     S
C1980  C1981   1.408   .     S
C1980  H1985   1.102   .     S
C1981  C1982   1.406   .     S
C1981  O2043   1.384   .     S
C1982  H1986   1.102   .     S
C1982  C1983   1.376   .     S
C1983  H1987   1.100   .     S
C1988  C1989   1.400   .     S
C1988  H2040   1.099   .     S
C1988  C1993   1.401   .     S
C1989  H2002   1.101   .     S
C1989  C1990   1.384   .     S
C1990  H2000   1.100   .     S
C1990  C1991   1.429   .     S
C1991  C1994   1.383   .     S
C1991  C1992   1.428   .     S
C1992  H2001   1.099   .     S
C1992  C1993   1.386   .     S
C1993  H2003   1.098   .     S
C1994  N1995   1.350   .     S
C1994  N1999   1.349   .     S
N1995  C1996   1.349   .     S
C1996  C2007   1.383   .     S
C1996  N1997   1.350   .     S
N1997  C1998   1.348   .     S
C1998  N1999   1.347   .     S
C2004  C2005   1.401   .     S
C2004  H2041   1.100   .     S
C2004  C2009   1.399   .     S
C2005  C2006   1.385   .     S
C2005  H2012   1.099   .     S
C2006  H2010   1.100   .     S
C2006  C2007   1.428   .     S
C2007  C2008   1.428   .     S
C2008  C2009   1.384   .     S
C2008  H2011   1.100   .     S
C2009  H2013   1.100   .     S
C2014  H2042   1.099   .     S
C2014  C2015   1.400   .     S
C2014  C2019   1.401   .     S
C2015  H2022   1.100   .     S
C2015  C2016   1.384   .     S
C2016  H2020   1.099   .     S
C2016  C2017   1.428   .     S
C2017  C2028   1.381   .     S
C2017  C2018   1.427   .     S
C2018  H2021   1.099   .     S
C2018  C2019   1.384   .     S
C2019  H2023   1.099   .     S
C2024  C2044   1.385   .     S
C2024  N2029   1.351   .     S
C2024  N2025   1.351   .     S
N2025  C2026   1.352   .     S
C2026  C2033   1.387   .     S
C2026  N2027   1.347   .     S
N2027  C2028   1.351   .     S
C2028  N2029   1.347   .     S
C2030  C2031   1.409   .     S
C2030  C2035   1.403   .     S
C2031  H2038   1.102   .     S
C2031  C2032   1.379   .     S
C2032  C2033   1.421   .     S
C2032  H2036   1.100   .     S
C2033  C2034   1.428   .     S
C2034  H2037   1.100   .     S
C2034  C2035   1.381   .     S
C2035  H2039   1.099   .     S
O2043  C2047   1.383   .     S
C2044  C2045   1.426   .     S
C2044  C2049   1.425   .     S
C2045  C2046   1.378   .     S
C2045  H2050   1.099   .     S
C2046  H2051   1.100   .     S
C2046  C2047   1.405   .     S
C2047  C2048   1.406   .     S
C2048  C2049   1.380   .     S
C2048  H2052   1.102   .     S
C2049  H2053   1.099   .     S
C2054  C2059   1.424   .     S
C2054  C2055   1.424   .     S
C2054  C2074   1.384   .     S
C2055  C2056   1.378   .     S
C2055  H2060   1.100   .     S
C2056  H2061   1.101   .     S
C2056  C2057   1.408   .     S
C2057  C2058   1.405   .     S
C2057  O2119   1.383   .     S
C2058  H2062   1.102   .     S
C2058  C2059   1.377   .     S
C2059  H2063   1.099   .     S
C2064  H2116   1.099   .     S
C2064  C2069   1.401   .     S
C2064  C2065   1.401   .     S
C2065  C2066   1.384   .     S
C2065  H2078   1.100   .     S
C2066  C2067   1.429   .     S
C2066  H2076   1.099   .     S
C2067  C2070   1.383   .     S
C2067  C2068   1.427   .     S
C2068  H2077   1.101   .     S
C2068  C2069   1.384   .     S
C2069  H2079   1.099   .     S
C2070  N2071   1.349   .     S
C2070  N2075   1.348   .     S
N2071  C2072   1.350   .     S
C2072  N2073   1.350   .     S
C2072  C2083   1.383   .     S
N2073  C2074   1.348   .     S
C2074  N2075   1.349   .     S
C2080  H2117   1.099   .     S
C2080  C2085   1.401   .     S
C2080  C2081   1.400   .     S
C2081  H2088   1.099   .     S
C2081  C2082   1.384   .     S
C2082  H2086   1.100   .     S
C2082  C2083   1.428   .     S
C2083  C2084   1.429   .     S
C2084  C2085   1.385   .     S
C2084  H2087   1.099   .     S
C2085  H2089   1.100   .     S
C2090  H2118   1.100   .     S
C2090  C2095   1.400   .     S
C2090  C2091   1.401   .     S
C2091  H2098   1.100   .     S
C2091  C2092   1.385   .     S
C2092  H2096   1.098   .     S
C2092  C2093   1.425   .     S
C2093  C2104   1.385   .     S
C2093  C2094   1.428   .     S
C2094  H2097   1.099   .     S
C2094  C2095   1.384   .     S
C2095  H2099   1.100   .     S
C2100  N2101   1.350   .     S
C2100  C2120   1.385   .     S
C2100  N2105   1.350   .     S
N2101  C2102   1.355   .     S
C2102  N2103   1.353   .     S
C2102  C2109   1.388   .     S
N2103  C2104   1.347   .     S
C2104  N2105   1.342   .     S
C2106  C2107   1.406   .     S
C2106  C2111   1.405   .     S
C2107  H2114   1.102   .     S
C2107  C2108   1.384   .     S
C2108  H2112   1.100   .     S
C2108  C2109   1.426   .     S
C2109  C2110   1.426   .     S
C2110  H2113   1.100   .     S
C2110  C2111   1.377   .     S
C2111  H2115   1.101   .     S
O2119  C2123   1.384   .     S
C2120  C2121   1.425   .     S
C2120  C2125   1.424   .     S
C2121  C2122   1.375   .     S
C2121  H2126   1.100   .     S
C2122  H2127   1.100   .     S
C2122  C2123   1.404   .     S
C2123  C2124   1.408   .     S
C2124  H2128   1.102   .     S
C2124  C2125   1.382   .     S
C2125  H2129   1.100   .     S
C2130  C2135   1.423   .     S
C2130  C2150   1.383   .     S
C2130  C2131   1.423   .     S
C2131  H2136   1.100   .     S
C2131  C2132   1.378   .     S
C2132  C2133   1.408   .     S
C2132  H2137   1.101   .     S
C2133  C2134   1.407   .     S
C2133  O2195   1.383   .     S
C2134  H2138   1.102   .     S
C2134  C2135   1.377   .     S
C2135  H2139   1.101   .     S
C2140  C2141   1.400   .     S
C2140  H2192   1.099   .     S
C2140  C2145   1.400   .     S
C2141  C2142   1.385   .     S
C2141  H2154   1.100   .     S
C2142  C2143   1.429   .     S
C2142  H2152   1.099   .     S
C2143  C2144   1.428   .     S
C2143  C2146   1.383   .     S
C2144  C2145   1.384   .     S
C2144  H2153   1.100   .     S
C2145  H2155   1.099   .     S
C2146  N2147   1.351   .     S
C2146  N2151   1.349   .     S
N2147  C2148   1.348   .     S
C2148  N2149   1.348   .     S
C2148  C2159   1.383   .     S
N2149  C2150   1.349   .     S
C2150  N2151   1.348   .     S
C2156  H2193   1.099   .     S
C2156  C2157   1.401   .     S
C2156  C2161   1.401   .     S
C2157  C2158   1.385   .     S
C2157  H2164   1.099   .     S
C2158  H2162   1.099   .     S
C2158  C2159   1.426   .     S
C2159  C2160   1.429   .     S
C2160  H2163   1.099   .     S
C2160  C2161   1.384   .     S
C2161  H2165   1.100   .     S
C2166  H2194   1.100   .     S
C2166  C2171   1.401   .     S
C2166  C2167   1.400   .     S
C2167  C2168   1.384   .     S
C2167  H2174   1.099   .     S
C2168  H2172   1.100   .     S
C2168  C2169   1.428   .     S
C2169  C2180   1.382   .     S
C2169  C2170   1.427   .     S
C2170  C2171   1.384   .     S
C2170  H2173   1.100   .     S
C2171  H2175   1.098   .     S
C2176  N2181   1.351   .     S
C2176  N2177   1.353   .     S
C2176  C2196   1.386   .     S
N2177  C2178   1.355   .     S
C2178  C2185   1.389   .     S
C2178  N2179   1.348   .     S
N2179  C2180   1.348   .     S
C2180  N2181   1.347   .     S
C2182  C2187   1.402   .     S
C2182  C2183   1.414   .     S
C2183  C2184   1.379   .     S
C2183  H2190   1.103   .     S
C2184  C2185   1.421   .     S
C2184  H2188   1.101   .     S
C2185  C2186   1.429   .     S
C2186  H2189   1.100   .     S
C2186  C2187   1.384   .     S
C2187  H2191   1.097   .     S
O2195  C2199   1.382   .     S
C2196  C2201   1.425   .     S
C2196  C2197   1.428   .     S
C2197  H2202   1.100   .     S
C2197  C2198   1.378   .     S
C2198  C2199   1.404   .     S
C2198  H2203   1.101   .     S
C2199  C2200   1.406   .     S
C2200  H2204   1.101   .     S
C2200  C2201   1.381   .     S
C2201  H2205   1.099   .     S
C2206  C2226   1.385   .     S
C2206  C2211   1.423   .     S
C2206  C2207   1.424   .     S
C2207  C2208   1.379   .     S
C2207  H2212   1.100   .     S
C2208  C2209   1.407   .     S
C2208  H2213   1.100   .     S
C2209  O2271   1.385   .     S
C2209  C2210   1.407   .     S
C2210  C2211   1.378   .     S
C2210  H2214   1.102   .     S
C2211  H2215   1.101   .     S
C2216  C2217   1.401   .     S
C2216  C2221   1.400   .     S
C2216  H2268   1.099   .     S
C2217  C2218   1.385   .     S
C2217  H2230   1.100   .     S
C2218  H2228   1.100   .     S
C2218  C2219   1.428   .     S
C2219  C2220   1.429   .     S
C2219  C2222   1.383   .     S
C2220  C2221   1.385   .     S
C2220  H2229   1.099   .     S
C2221  H2231   1.099   .     S
C2222  N2227   1.349   .     S
C2222  N2223   1.351   .     S
N2223  C2224   1.349   .     S
C2224  C2235   1.384   .     S
C2224  N2225   1.351   .     S
N2225  C2226   1.348   .     S
C2226  N2227   1.350   .     S
C2232  H2269   1.100   .     S
C2232  C2233   1.401   .     S
C2232  C2237   1.400   .     S
C2233  C2234   1.385   .     S
C2233  H2240   1.099   .     S
C2234  H2238   1.100   .     S
C2234  C2235   1.428   .     S
C2235  C2236   1.429   .     S
C2236  C2237   1.385   .     S
C2236  H2239   1.100   .     S
C2237  H2241   1.100   .     S
C2242  C2247   1.400   .     S
C2242  C2243   1.400   .     S
C2242  H2270   1.100   .     S
C2243  H2250   1.099   .     S
C2243  C2244   1.383   .     S
C2244  C2245   1.426   .     S
C2244  H2248   1.100   .     S
C2245  C2256   1.382   .     S
C2245  C2246   1.427   .     S
C2246  H2249   1.100   .     S
C2246  C2247   1.385   .     S
C2247  H2251   1.098   .     S
C2252  C2272   1.388   .     S
C2252  N2253   1.352   .     S
C2252  N2257   1.350   .     S
N2253  C2254   1.355   .     S
C2254  C2261   1.388   .     S
C2254  N2255   1.349   .     S
N2255  C2256   1.347   .     S
C2256  N2257   1.346   .     S
C2258  C2263   1.403   .     S
C2258  C2259   1.413   .     S
C2259  C2260   1.380   .     S
C2259  H2266   1.102   .     S
C2260  C2261   1.420   .     S
C2260  H2264   1.100   .     S
C2261  C2262   1.431   .     S
C2262  H2265   1.100   .     S
C2262  C2263   1.383   .     S
C2263  H2267   1.099   .     S
O2271  C2275   1.383   .     S
C2272  C2273   1.427   .     S
C2272  C2277   1.423   .     S
C2273  H2278   1.101   .     S
C2273  C2274   1.377   .     S
C2274  H2279   1.100   .     S
C2274  C2275   1.405   .     S
C2275  C2276   1.407   .     S
C2276  H2280   1.102   .     S
C2276  C2277   1.381   .     S
C2277  H2281   1.099   .     S
C2282  C2287   1.423   .     S
C2282  C2283   1.423   .     S
C2282  C2302   1.383   .     S
C2283  H2288   1.100   .     S
C2283  C2284   1.379   .     S
C2284  H2289   1.102   .     S
C2284  C2285   1.407   .     S
C2285  O2347   1.385   .     S
C2285  C2286   1.406   .     S
C2286  H2290   1.103   .     S
C2286  C2287   1.378   .     S
C2287  H2291   1.100   .     S
C2292  H2344   1.100   .     S
C2292  C2297   1.401   .     S
C2292  C2293   1.400   .     S
C2293  H2306   1.100   .     S
C2293  C2294   1.385   .     S
C2294  H2304   1.100   .     S
C2294  C2295   1.428   .     S
C2295  C2298   1.383   .     S
C2295  C2296   1.428   .     S
C2296  C2297   1.384   .     S
C2296  H2305   1.100   .     S
C2297  H2307   1.098   .     S
C2298  N2299   1.349   .     S
C2298  N2303   1.349   .     S
N2299  C2300   1.350   .     S
C2300  C2311   1.383   .     S
C2300  N2301   1.349   .     S
N2301  C2302   1.349   .     S
C2302  N2303   1.348   .     S
C2308  H2345   1.100   .     S
C2308  C2309   1.401   .     S
C2308  C2313   1.400   .     S
C2309  H2316   1.098   .     S
C2309  C2310   1.384   .     S
C2310  H2314   1.100   .     S
C2310  C2311   1.428   .     S
C2311  C2312   1.428   .     S
C2312  H2315   1.099   .     S
C2312  C2313   1.385   .     S
C2313  H2317   1.100   .     S
C2318  H2346   1.100   .     S
C2318  C2319   1.401   .     S
C2318  C2323   1.400   .     S
C2319  C2320   1.384   .     S
C2319  H2326   1.100   .     S
C2320  H2324   1.100   .     S
C2320  C2321   1.428   .     S
C2321  C2322   1.427   .     S
C2321  C2332   1.384   .     S
C2322  C2323   1.385   .     S
C2322  H2325   1.100   .     S
C2323  H2327   1.099   .     S
C2328  N2329   1.351   .     S
C2328  N2333   1.351   .     S
C2328  C2348   1.386   .     S
N2329  C2330   1.352   .     S
C2330  N2331   1.349   .     S
C2330  C2337   1.385   .     S
N2331  C2332   1.347   .     S
C2332  N2333   1.345   .     S
C2334  C2339   1.403   .     S
C2334  C2335   1.407   .     S
C2335  C2336   1.381   .     S
C2335  H2342   1.101   .     S
C2336  C2337   1.423   .     S
C2336  H2340   1.099   .     S
C2337  C2338   1.426   .     S
C2338  C2339   1.377   .     S
C2338  H2341   1.101   .     S
C2339  H2343   1.101   .     S
O2347  C2351   1.385   .     S
C2348  C2353   1.424   .     S
C2348  C2349   1.425   .     S
C2349  H2354   1.100   .     S
C2349  C2350   1.377   .     S
C2350  C2351   1.404   .     S
C2350  H2355   1.100   .     S
C2351  C2352   1.407   .     S
C2352  H2356   1.102   .     S
C2352  C2353   1.381   .     S
C2353  H2357   1.099   .     S
C2358  C2359   1.425   .     S
C2358  C2363   1.422   .     S
C2358  C2378   1.384   .     S
C2359  C2360   1.378   .     S
C2359  H2364   1.101   .     S
C2360  C2361   1.405   .     S
C2360  H2365   1.100   .     S
C2361  C2362   1.407   .     S
C2361  O2423   1.383   .     S
C2362  H2366   1.102   .     S
C2362  C2363   1.377   .     S
C2363  H2367   1.100   .     S
C2368  C2373   1.401   .     S
C2368  C2369   1.401   .     S
C2368  H2420   1.099   .     S
C2369  C2370   1.384   .     S
C2369  H2382   1.100   .     S
C2370  C2371   1.428   .     S
C2370  H2380   1.100   .     S
C2371  C2374   1.383   .     S
C2371  C2372   1.427   .     S
C2372  H2381   1.099   .     S
C2372  C2373   1.385   .     S
C2373  H2383   1.099   .     S
C2374  N2379   1.348   .     S
C2374  N2375   1.349   .     S
N2375  C2376   1.350   .     S
C2376  C2387   1.383   .     S
C2376  N2377   1.350   .     S
N2377  C2378   1.349   .     S
C2378  N2379   1.347   .     S
C2384  C2385   1.401   .     S
C2384  C2389   1.400   .     S
C2384  H2421   1.099   .     S
C2385  H2392   1.100   .     S
C2385  C2386   1.384   .     S
C2386  H2390   1.100   .     S
C2386  C2387   1.428   .     S
C2387  C2388   1.428   .     S
C2388  H2391   1.099   .     S
C2388  C2389   1.385   .     S
C2389  H2393   1.100   .     S
C2394  C2395   1.400   .     S
C2394  C2399   1.401   .     S
C2394  H2422   1.099   .     S
C2395  C2396   1.384   .     S
C2395  H2402   1.098   .     S
C2396  H2400   1.099   .     S
C2396  C2397   1.427   .     S
C2397  C2398   1.428   .     S
C2397  C2408   1.383   .     S
C2398  H2401   1.100   .     S
C2398  C2399   1.384   .     S
C2399  H2403   1.099   .     S
C2404  N2405   1.352   .     S
C2404  C2424   1.387   .     S
C2404  N2409   1.350   .     S
N2405  C2406   1.354   .     S
C2406  C2413   1.387   .     S
C2406  N2407   1.350   .     S
N2407  C2408   1.348   .     S
C2408  N2409   1.348   .     S
C2410  C2411   1.410   .     S
C2410  C2415   1.404   .     S
C2411  C2412   1.380   .     S
C2411  H2418   1.102   .     S
C2412  C2413   1.422   .     S
C2412  H2416   1.100   .     S
C2413  C2414   1.428   .     S
C2414  H2417   1.100   .     S
C2414  C2415   1.381   .     S
C2415  H2419   1.100   .     S
O2423  C2427   1.386   .     S
C2424  C2425   1.427   .     S
C2424  C2429   1.423   .     S
C2425  H2430   1.100   .     S
C2425  C2426   1.379   .     S
C2426  H2431   1.101   .     S
C2426  C2427   1.404   .     S
C2427  C2428   1.408   .     S
C2428  H2432   1.102   .     S
C2428  C2429   1.381   .     S
C2429  H2433   1.099   .     S
C2434  C2439   1.423   .     S
C2434  C2454   1.384   .     S
C2434  C2435   1.425   .     S
C2435  C2436   1.380   .     S
C2435  H2440   1.100   .     S
C2436  C2437   1.407   .     S
C2436  H2441   1.102   .     S
C2437  O2499   1.384   .     S
C2437  C2438   1.407   .     S
C2438  C2439   1.376   .     S
C2438  H2442   1.102   .     S
C2439  H2443   1.100   .     S
C2444  H2496   1.100   .     S
C2444  C2445   1.400   .     S
C2444  C2449   1.401   .     S
C2445  H2458   1.100   .     S
C2445  C2446   1.384   .     S
C2446  H2456   1.099   .     S
C2446  C2447   1.429   .     S
C2447  C2448   1.427   .     S
C2447  C2450   1.384   .     S
C2448  C2449   1.386   .     S
C2448  H2457   1.099   .     S
C2449  H2459   1.099   .     S
C2450  N2455   1.350   .     S
C2450  N2451   1.348   .     S
N2451  C2452   1.351   .     S
C2452  N2453   1.347   .     S
C2452  C2463   1.383   .     S
N2453  C2454   1.350   .     S
C2454  N2455   1.347   .     S
C2460  C2465   1.401   .     S
C2460  C2461   1.401   .     S
C2460  H2497   1.099   .     S
C2461  C2462   1.384   .     S
C2461  H2468   1.100   .     S
C2462  C2463   1.427   .     S
C2462  H2466   1.101   .     S
C2463  C2464   1.429   .     S
C2464  H2467   1.099   .     S
C2464  C2465   1.386   .     S
C2465  H2469   1.100   .     S
C2470  C2471   1.401   .     S
C2470  H2498   1.099   .     S
C2470  C2475   1.400   .     S
C2471  C2472   1.384   .     S
C2471  H2478   1.099   .     S
C2472  C2473   1.428   .     S
C2472  H2476   1.100   .     S
C2473  C2484   1.383   .     S
C2473  C2474   1.428   .     S
C2474  H2477   1.099   .     S
C2474  C2475   1.386   .     S
C2475  H2479   1.099   .     S
C2480  N2485   1.350   .     S
C2480  C2500   1.385   .     S
C2480  N2481   1.350   .     S
N2481  C2482   1.350   .     S
C2482  C2489   1.382   .     S
C2482  N2483   1.347   .     S
N2483  C2484   1.349   .     S
C2484  N2485   1.348   .     S
C2486  C2491   1.404   .     S
C2486  C2487   1.407   .     S
C2487  H2494   1.099   .     S
C2487  C2488   1.377   .     S
C2488  H2492   1.100   .     S
C2488  C2489   1.421   .     S
C2489  C2490   1.423   .     S
C2490  H2493   1.100   .     S
C2490  C2491   1.378   .     S
C2491  H2495   1.101   .     S
O2499  C2503   1.386   .     S
C2500  C2505   1.423   .     S
C2500  C2501   1.426   .     S
C2501  H2506   1.100   .     S
C2501  C2502   1.380   .     S
C2502  C2503   1.405   .     S
C2502  H2507   1.101   .     S
C2503  C2504   1.408   .     S
C2504  C2505   1.379   .     S
C2504  H2508   1.101   .     S
C2505  H2509   1.100   .     S
C2510  C2530   1.383   .     S
C2510  C2515   1.423   .     S
C2510  C2511   1.423   .     S
C2511  H2516   1.100   .     S
C2511  C2512   1.378   .     S
C2512  C2513   1.408   .     S
C2512  H2517   1.101   .     S
C2513  C2514   1.406   .     S
C2513  O2575   1.383   .     S
C2514  C2515   1.378   .     S
C2514  H2518   1.101   .     S
C2515  H2519   1.099   .     S
C2520  C2525   1.400   .     S
C2520  C2521   1.401   .     S
C2520  H2572   1.100   .     S
C2521  H2534   1.100   .     S
C2521  C2522   1.385   .     S
C2522  H2532   1.100   .     S
C2522  C2523   1.428   .     S
C2523  C2524   1.428   .     S
C2523  C2526   1.383   .     S
C2524  H2533   1.099   .     S
C2524  C2525   1.384   .     S
C2525  H2535   1.099   .     S
C2526  N2531   1.348   .     S
C2526  N2527   1.348   .     S
N2527  C2528   1.350   .     S
C2528  N2529   1.350   .     S
C2528  C2539   1.383   .     S
N2529  C2530   1.349   .     S
C2530  N2531   1.349   .     S
C2536  H2573   1.099   .     S
C2536  C2541   1.400   .     S
C2536  C2537   1.400   .     S
C2537  C2538   1.385   .     S
C2537  H2544   1.098   .     S
C2538  C2539   1.429   .     S
C2538  H2542   1.099   .     S
C2539  C2540   1.429   .     S
C2540  H2543   1.100   .     S
C2540  C2541   1.385   .     S
C2541  H2545   1.101   .     S
C2546  C2547   1.400   .     S
C2546  C2551   1.399   .     S
C2546  H2574   1.099   .     S
C2547  H2554   1.099   .     S
C2547  C2548   1.385   .     S
C2548  C2549   1.427   .     S
C2548  H2552   1.100   .     S
C2549  C2560   1.382   .     S
C2549  C2550   1.427   .     S
C2550  C2551   1.384   .     S
C2550  H2553   1.100   .     S
C2551  H2555   1.099   .     S
C2556  N2557   1.355   .     S
C2556  C2576   1.383   .     S
C2556  N2561   1.352   .     S
N2557  C2558   1.350   .     S
C2558  N2559   1.351   .     S
C2558  C2565   1.389   .     S
N2559  C2560   1.346   .     S
C2560  N2561   1.346   .     S
C2562  C2567   1.409   .     S
C2562  C2563   1.406   .     S
C2563  C2564   1.388   .     S
C2563  H2570   1.099   .     S
C2564  H2568   1.099   .     S
C2564  C2565   1.427   .     S
C2565  C2566   1.423   .     S
C2566  H2569   1.101   .     S
C2566  C2567   1.373   .     S
C2567  H2571   1.102   .     S
O2575  C2579   1.384   .     S
C2576  C2581   1.424   .     S
C2576  C2577   1.427   .     S
C2577  C2578   1.376   .     S
C2577  H2582   1.100   .     S
C2578  H2583   1.101   .     S
C2578  C2579   1.404   .     S
C2579  C2580   1.406   .     S
C2580  C2581   1.380   .     S
C2580  H2584   1.101   .     S
C2581  H2585   1.099   .     S
C2586  C2587   1.423   .     S
C2586  C2591   1.423   .     S
C2586  C2606   1.383   .     S
C2587  H2592   1.100   .     S
C2587  C2588   1.378   .     S
C2588  H2593   1.101   .     S
C2588  C2589   1.407   .     S
C2589  C2590   1.407   .     S
C2589  O2651   1.383   .     S
C2590  C2591   1.377   .     S
C2590  H2594   1.102   .     S
C2591  H2595   1.100   .     S
C2596  C2597   1.400   .     S
C2596  C2601   1.401   .     S
C2596  H2648   1.100   .     S
C2597  H2610   1.101   .     S
C2597  C2598   1.385   .     S
C2598  H2608   1.099   .     S
C2598  C2599   1.429   .     S
C2599  C2602   1.383   .     S
C2599  C2600   1.427   .     S
C2600  C2601   1.385   .     S
C2600  H2609   1.100   .     S
C2601  H2611   1.099   .     S
C2602  N2603   1.349   .     S
C2602  N2607   1.348   .     S
N2603  C2604   1.350   .     S
C2604  C2615   1.383   .     S
C2604  N2605   1.349   .     S
N2605  C2606   1.348   .     S
C2606  N2607   1.348   .     S
C2612  H2649   1.100   .     S
C2612  C2613   1.400   .     S
C2612  C2617   1.400   .     S
C2613  C2614   1.384   .     S
C2613  H2620   1.100   .     S
C2614  C2615   1.428   .     S
C2614  H2618   1.099   .     S
C2615  C2616   1.428   .     S
C2616  C2617   1.385   .     S
C2616  H2619   1.099   .     S
C2617  H2621   1.100   .     S
C2622  H2650   1.100   .     S
C2622  C2623   1.400   .     S
C2622  C2627   1.400   .     S
C2623  C2624   1.384   .     S
C2623  H2630   1.099   .     S
C2624  H2628   1.100   .     S
C2624  C2625   1.427   .     S
C2625  C2636   1.383   .     S
C2625  C2626   1.428   .     S
C2626  H2629   1.100   .     S
C2626  C2627   1.384   .     S
C2627  H2631   1.099   .     S
C2632  C2652   1.385   .     S
C2632  N2633   1.352   .     S
C2632  N2637   1.351   .     S
N2633  C2634   1.355   .     S
C2634  C2641   1.388   .     S
C2634  N2635   1.348   .     S
N2635  C2636   1.350   .     S
C2636  N2637   1.346   .     S
C2638  C2639   1.413   .     S
C2638  C2643   1.402   .     S
C2639  C2640   1.377   .     S
C2639  H2646   1.103   .     S
C2640  H2644   1.100   .     S
C2640  C2641   1.420   .     S
C2641  C2642   1.429   .     S
C2642  H2645   1.101   .     S
C2642  C2643   1.385   .     S
C2643  H2647   1.097   .     S
O2651  C2655   1.383   .     S
C2652  C2657   1.424   .     S
C2652  C2653   1.426   .     S
C2653  H2658   1.100   .     S
C2653  C2654   1.378   .     S
C2654  H2659   1.101   .     S
C2654  C2655   1.404   .     S
C2655  C2656   1.406   .     S
C2656  H2660   1.102   .     S
C2656  C2657   1.380   .     S
C2657  H2661   1.100   .     S
C2662  C2682   1.383   .     S
C2662  C2663   1.423   .     S
C2662  C2667   1.423   .     S
C2663  H2668   1.100   .     S
C2663  C2664   1.377   .     S
C2664  H2669   1.101   .     S
C2664  C2665   1.407   .     S
C2665  C2666   1.407   .     S
C2665  O2727   1.381   .     S
C2666  H2670   1.103   .     S
C2666  C2667   1.379   .     S
C2667  H2671   1.100   .     S
C2672  C2673   1.400   .     S
C2672  C2677   1.402   .     S
C2672  H2724   1.100   .     S
C2673  H2686   1.101   .     S
C2673  C2674   1.385   .     S
C2674  C2675   1.428   .     S
C2674  H2684   1.099   .     S
C2675  C2678   1.383   .     S
C2675  C2676   1.427   .     S
C2676  H2685   1.099   .     S
C2676  C2677   1.384   .     S
C2677  H2687   1.099   .     S
C2678  N2679   1.350   .     S
C2678  N2683   1.348   .     S
N2679  C2680   1.350   .     S
C2680  C2691   1.382   .     S
C2680  N2681   1.351   .     S
N2681  C2682   1.348   .     S
C2682  N2683   1.348   .     S
C2688  C2693   1.400   .     S
C2688  H2725   1.099   .     S
C2688  C2689   1.401   .     S
C2689  H2696   1.099   .     S
C2689  C2690   1.384   .     S
C2690  H2694   1.100   .     S
C2690  C2691   1.428   .     S
C2691  C2692   1.429   .     S
C2692  C2693   1.384   .     S
C2692  H2695   1.099   .     S
C2693  H2697   1.100   .     S
C2698  H2726   1.099   .     S
C2698  C2699   1.401   .     S
C2698  C2703   1.401   .     S
C2699  C2700   1.384   .     S
C2699  H2706   1.099   .     S
C2700  C2701   1.426   .     S
C2700  H2704   1.099   .     S
C2701  C2712   1.382   .     S
C2701  C2702   1.427   .     S
C2702  C2703   1.384   .     S
C2702  H2705   1.099   .     S
C2703  H2707   1.099   .     S
C2708  N2713   1.349   .     S
C2708  C2728   1.384   .     S
C2708  N2709   1.350   .     S
N2709  C2710   1.352   .     S
C2710  N2711   1.351   .     S
C2710  C2717   1.386   .     S
N2711  C2712   1.348   .     S
C2712  N2713   1.344   .     S
C2714  C2719   1.408   .     S
C2714  C2715   1.407   .     S
C2715  C2716   1.383   .     S
C2715  H2722   1.100   .     S
C2716  C2717   1.426   .     S
C2716  H2720   1.101   .     S
C2717  C2718   1.423   .     S
C2718  H2721   1.100   .     S
C2718  C2719   1.377   .     S
C2719  H2723   1.101   .     S
O2727  C2731   1.384   .     S
C2728  C2729   1.425   .     S
C2728  C2733   1.423   .     S
C2729  H2734   1.099   .     S
C2729  C2730   1.376   .     S
C2730  C2731   1.405   .     S
C2730  H2735   1.100   .     S
C2731  C2732   1.407   .     S
C2732  C2733   1.382   .     S
C2732  H2736   1.102   .     S
C2733  H2737   1.099   .     S
C2738  C2739   1.424   .     S
C2738  C2743   1.422   .     S
C2738  C2758   1.383   .     S
C2739  H2744   1.100   .     S
C2739  C2740   1.377   .     S
C2740  C2741   1.407   .     S
C2740  H2745   1.102   .     S
C2741  C2742   1.407   .     S
C2741  O2803   1.382   .     S
C2742  H2746   1.102   .     S
C2742  C2743   1.377   .     S
C2743  H2747   1.100   .     S
C2748  C2749   1.400   .     S
C2748  C2753   1.401   .     S
C2748  H2800   1.100   .     S
C2749  C2750   1.385   .     S
C2749  H2762   1.100   .     S
C2750  H2760   1.099   .     S
C2750  C2751   1.429   .     S
C2751  C2754   1.383   .     S
C2751  C2752   1.427   .     S
C2752  H2761   1.099   .     S
C2752  C2753   1.385   .     S
C2753  H2763   1.099   .     S
C2754  N2755   1.349   .     S
C2754  N2759   1.348   .     S
N2755  C2756   1.351   .     S
C2756  N2757   1.350   .     S
C2756  C2767   1.383   .     S
N2757  C2758   1.348   .     S
C2758  N2759   1.347   .     S
C2764  H2801   1.100   .     S
C2764  C2765   1.400   .     S
C2764  C2769   1.400   .     S
C2765  H2772   1.099   .     S
C2765  C2766   1.385   .     S
C2766  C2767   1.427   .     S
C2766  H2770   1.099   .     S
C2767  C2768   1.429   .     S
C2768  H2771   1.099   .     S
C2768  C2769   1.385   .     S
C2769  H2773   1.100   .     S
C2774  H2802   1.100   .     S
C2774  C2779   1.400   .     S
C2774  C2775   1.400   .     S
C2775  C2776   1.384   .     S
C2775  H2782   1.099   .     S
C2776  C2777   1.428   .     S
C2776  H2780   1.099   .     S
C2777  C2788   1.382   .     S
C2777  C2778   1.428   .     S
C2778  H2781   1.100   .     S
C2778  C2779   1.384   .     S
C2779  H2783   1.098   .     S
C2784  N2789   1.350   .     S
C2784  C2804   1.386   .     S
C2784  N2785   1.350   .     S
N2785  C2786   1.353   .     S
C2786  N2787   1.349   .     S
C2786  C2793   1.391   .     S
N2787  C2788   1.350   .     S
C2788  N2789   1.347   .     S
C2790  C2791   1.407   .     S
C2790  C2795   1.404   .     S
C2791  H2798   1.101   .     S
C2791  C2792   1.380   .     S
C2792  H2796   1.099   .     S
C2792  C2793   1.422   .     S
C2793  C2794   1.427   .     S
C2794  H2797   1.100   .     S
C2794  C2795   1.383   .     S
C2795  H2799   1.100   .     S
O2803  C2807   1.384   .     S
C2804  C2809   1.424   .     S
C2804  C2805   1.425   .     S
C2805  H2810   1.100   .     S
C2805  C2806   1.378   .     S
C2806  H2811   1.100   .     S
C2806  C2807   1.405   .     S
C2807  C2808   1.407   .     S
C2808  C2809   1.379   .     S
C2808  H2812   1.102   .     S
C2809  H2813   1.099   .     S
C2814  C2834   1.383   .     S
C2814  C2815   1.423   .     S
C2814  C2819   1.424   .     S
C2815  C2816   1.378   .     S
C2815  H2820   1.100   .     S
C2816  H2821   1.102   .     S
C2816  C2817   1.408   .     S
C2817  O2879   1.384   .     S
C2817  C2818   1.405   .     S
C2818  H2822   1.101   .     S
C2818  C2819   1.378   .     S
C2819  H2823   1.099   .     S
C2824  H2876   1.100   .     S
C2824  C2829   1.400   .     S
C2824  C2825   1.400   .     S
C2825  H2838   1.101   .     S
C2825  C2826   1.385   .     S
C2826  H2836   1.099   .     S
C2826  C2827   1.428   .     S
C2827  C2830   1.384   .     S
C2827  C2828   1.427   .     S
C2828  H2837   1.099   .     S
C2828  C2829   1.385   .     S
C2829  H2839   1.099   .     S
C2830  N2835   1.347   .     S
C2830  N2831   1.349   .     S
N2831  C2832   1.350   .     S
C2832  C2843   1.382   .     S
C2832  N2833   1.351   .     S
N2833  C2834   1.349   .     S
C2834  N2835   1.349   .     S
C2840  C2841   1.401   .     S
C2840  H2877   1.100   .     S
C2840  C2845   1.400   .     S
C2841  H2848   1.099   .     S
C2841  C2842   1.384   .     S
C2842  H2846   1.100   .     S
C2842  C2843   1.428   .     S
C2843  C2844   1.429   .     S
C2844  H2847   1.098   .     S
C2844  C2845   1.385   .     S
C2845  H2849   1.100   .     S
C2850  C2855   1.400   .     S
C2850  C2851   1.401   .     S
C2850  H2878   1.099   .     S
C2851  H2858   1.100   .     S
C2851  C2852   1.385   .     S
C2852  H2856   1.100   .     S
C2852  C2853   1.427   .     S
C2853  C2864   1.384   .     S
C2853  C2854   1.427   .     S
C2854  H2857   1.099   .     S
C2854  C2855   1.384   .     S
C2855  H2859   1.100   .     S
C2860  N2861   1.352   .     S
C2860  C2880   1.384   .     S
C2860  N2865   1.347   .     S
N2861  C2862   1.350   .     S
C2862  C2869   1.388   .     S
C2862  N2863   1.353   .     S
N2863  C2864   1.345   .     S
C2864  N2865   1.346   .     S
C2866  C2867   1.406   .     S
C2866  C2871   1.407   .     S
C2867  H2874   1.098   .     S
C2867  C2868   1.384   .     S
C2868  H2872   1.100   .     S
C2868  C2869   1.426   .     S
C2869  C2870   1.423   .     S
C2870  C2871   1.376   .     S
C2870  H2873   1.102   .     S
C2871  H2875   1.102   .     S
O2879  C2883   1.385   .     S
C2880  C2881   1.424   .     S
C2880  C2885   1.424   .     S
C2881  C2882   1.376   .     S
C2881  H2886   1.100   .     S
C2882  H2887   1.101   .     S
C2882  C2883   1.405   .     S
C2883  C2884   1.407   .     S
C2884  H2888   1.102   .     S
C2884  C2885   1.381   .     S
C2885  H2889   1.101   .     S
C2890  C2910   1.384   .     S
C2890  C2895   1.424   .     S
C2890  C2891   1.422   .     S
C2891  C2892   1.380   .     S
C2891  H2896   1.100   .     S
C2892  C2893   1.408   .     S
C2892  H2897   1.101   .     S
C2893  O2955   1.383   .     S
C2893  C2894   1.404   .     S
C2894  H2898   1.102   .     S
C2894  C2895   1.376   .     S
C2895  H2899   1.099   .     S
C2900  C2901   1.401   .     S
C2900  H2952   1.099   .     S
C2900  C2905   1.400   .     S
C2901  C2902   1.386   .     S
C2901  H2914   1.100   .     S
C2902  H2912   1.099   .     S
C2902  C2903   1.429   .     S
C2903  C2906   1.383   .     S
C2903  C2904   1.429   .     S
C2904  C2905   1.385   .     S
C2904  H2913   1.100   .     S
C2905  H2915   1.099   .     S
C2906  N2911   1.350   .     S
C2906  N2907   1.352   .     S
N2907  C2908   1.347   .     S
C2908  N2909   1.348   .     S
C2908  C2919   1.384   .     S
N2909  C2910   1.349   .     S
C2910  N2911   1.348   .     S
C2916  C2921   1.400   .     S
C2916  C2917   1.400   .     S
C2916  H2953   1.100   .     S
C2917  H2924   1.099   .     S
C2917  C2918   1.385   .     S
C2918  H2922   1.098   .     S
C2918  C2919   1.425   .     S
C2919  C2920   1.429   .     S
C2920  H2923   1.099   .     S
C2920  C2921   1.386   .     S
C2921  H2925   1.100   .     S
C2926  C2931   1.401   .     S
C2926  H2954   1.101   .     S
C2926  C2927   1.401   .     S
C2927  H2934   1.099   .     S
C2927  C2928   1.384   .     S
C2928  C2929   1.427   .     S
C2928  H2932   1.099   .     S
C2929  C2940   1.383   .     S
C2929  C2930   1.427   .     S
C2930  H2933   1.099   .     S
C2930  C2931   1.384   .     S
C2931  H2935   1.099   .     S
C2936  N2937   1.354   .     S
C2936  N2941   1.351   .     S
C2936  C2956   1.383   .     S
N2937  C2938   1.349   .     S
C2938  C2945   1.391   .     S
C2938  N2939   1.351   .     S
N2939  C2940   1.345   .     S
C2940  N2941   1.346   .     S
C2942  C2947   1.406   .     S
C2942  C2943   1.407   .     S
C2943  H2950   1.099   .     S
C2943  C2944   1.387   .     S
C2944  C2945   1.426   .     S
C2944  H2948   1.100   .     S
C2945  C2946   1.423   .     S
C2946  C2947   1.375   .     S
C2946  H2949   1.099   .     S
C2947  H2951   1.101   .     S
O2955  C2959   1.379   .     S
C2956  C2957   1.426   .     S
C2956  C2961   1.425   .     S
C2957  H2962   1.099   .     S
C2957  C2958   1.376   .     S
C2958  C2959   1.404   .     S
C2958  H2963   1.100   .     S
C2959  C2960   1.406   .     S
C2960  H2964   1.101   .     S
C2960  C2961   1.379   .     S
C2961  H2965   1.100   .     S
C2966  C2986   1.383   .     S
C2966  C2967   1.425   .     S
C2966  C2971   1.422   .     S
C2967  H2972   1.100   .     S
C2967  C2968   1.378   .     S
C2968  H2973   1.101   .     S
C2968  C2969   1.407   .     S
C2969  O3031   1.383   .     S
C2969  C2970   1.407   .     S
C2970  C2971   1.377   .     S
C2970  H2974   1.102   .     S
C2971  H2975   1.100   .     S
C2976  C2977   1.401   .     S
C2976  C2981   1.400   .     S
C2976  H3028   1.099   .     S
C2977  H2990   1.100   .     S
C2977  C2978   1.385   .     S
C2978  H2988   1.100   .     S
C2978  C2979   1.428   .     S
C2979  C2982   1.383   .     S
C2979  C2980   1.428   .     S
C2980  C2981   1.385   .     S
C2980  H2989   1.100   .     S
C2981  H2991   1.099   .     S
C2982  N2983   1.350   .     S
C2982  N2987   1.349   .     S
N2983  C2984   1.349   .     S
C2984  C2995   1.383   .     S
C2984  N2985   1.349   .     S
N2985  C2986   1.348   .     S
C2986  N2987   1.348   .     S
C2992  H3029   1.100   .     S
C2992  C2997   1.400   .     S
C2992  C2993   1.401   .     S
C2993  H3000   1.099   .     S
C2993  C2994   1.384   .     S
C2994  H2998   1.100   .     S
C2994  C2995   1.428   .     S
C2995  C2996   1.428   .     S
C2996  H2999   1.099   .     S
C2996  C2997   1.385   .     S
C2997  H3001   1.100   .     S
C3002  C3003   1.400   .     S
C3002  C3007   1.400   .     S
C3002  H3030   1.100   .     S
C3003  H3010   1.098   .     S
C3003  C3004   1.383   .     S
C3004  C3005   1.428   .     S
C3004  H3008   1.099   .     S
C3005  C3016   1.382   .     S
C3005  C3006   1.427   .     S
C3006  H3009   1.099   .     S
C3006  C3007   1.384   .     S
C3007  H3011   1.099   .     S
C3012  C3032   1.386   .     S
C3012  N3017   1.349   .     S
C3012  N3013   1.350   .     S
N3013  C3014   1.354   .     S
C3014  C3021   1.389   .     S
C3014  N3015   1.348   .     S
N3015  C3016   1.349   .     S
C3016  N3017   1.348   .     S
C3018  C3023   1.403   .     S
C3018  C3019   1.411   .     S
C3019  C3020   1.379   .     S
C3019  H3026   1.102   .     S
C3020  H3024   1.100   .     S
C3020  C3021   1.420   .     S
C3021  C3022   1.429   .     S
C3022  C3023   1.383   .     S
C3022  H3025   1.101   .     S
C3023  H3027   1.099   .     S
O3031  C3035   1.382   .     S
C3032  C3033   1.425   .     S
C3032  C3037   1.424   .     S
C3033  C3034   1.378   .     S
C3033  H3038   1.100   .     S
C3034  C3035   1.405   .     S
C3034  H3039   1.101   .     S
C3035  C3036   1.406   .     S
C3036  C3037   1.380   .     S
C3036  H3040   1.101   .     S
C3037  H3041   1.099   .     S
C3042  C3062   1.383   .     S
C3042  C3047   1.423   .     S
C3042  C3043   1.423   .     S
C3043  H3048   1.100   .     S
C3043  C3044   1.377   .     S
C3044  C3045   1.408   .     S
C3044  H3049   1.102   .     S
C3045  O3107   1.383   .     S
C3045  C3046   1.406   .     S
C3046  C3047   1.377   .     S
C3046  H3050   1.102   .     S
C3047  H3051   1.100   .     S
C3052  C3053   1.401   .     S
C3052  C3057   1.401   .     S
C3052  H3104   1.100   .     S
C3053  H3066   1.100   .     S
C3053  C3054   1.384   .     S
C3054  C3055   1.429   .     S
C3054  H3064   1.100   .     S
C3055  C3056   1.426   .     S
C3055  C3058   1.383   .     S
C3056  H3065   1.100   .     S
C3056  C3057   1.385   .     S
C3057  H3067   1.098   .     S
C3058  N3063   1.348   .     S
C3058  N3059   1.349   .     S
N3059  C3060   1.350   .     S
C3060  N3061   1.350   .     S
C3060  C3071   1.383   .     S
N3061  C3062   1.347   .     S
C3062  N3063   1.347   .     S
C3068  C3069   1.401   .     S
C3068  C3073   1.401   .     S
C3068  H3105   1.099   .     S
C3069  H3076   1.099   .     S
C3069  C3070   1.385   .     S
C3070  C3071   1.427   .     S
C3070  H3074   1.099   .     S
C3071  C3072   1.429   .     S
C3072  C3073   1.385   .     S
C3072  H3075   1.099   .     S
C3073  H3077   1.100   .     S
C3078  H3106   1.099   .     S
C3078  C3083   1.400   .     S
C3078  C3079   1.401   .     S
C3079  H3086   1.099   .     S
C3079  C3080   1.384   .     S
C3080  C3081   1.427   .     S
C3080  H3084   1.099   .     S
C3081  C3092   1.383   .     S
C3081  C3082   1.428   .     S
C3082  H3085   1.099   .     S
C3082  C3083   1.384   .     S
C3083  H3087   1.099   .     S
C3088  N3093   1.349   .     S
C3088  N3089   1.349   .     S
C3088  C3108   1.385   .     S
N3089  C3090   1.352   .     S
C3090  N3091   1.351   .     S
C3090  C3097   1.382   .     S
N3091  C3092   1.348   .     S
C3092  N3093   1.346   .     S
C3094  C3099   1.405   .     S
C3094  C3095   1.405   .     S
C3095  H3102   1.102   .     S
C3095  C3096   1.378   .     S
C3096  C3097   1.426   .     S
C3096  H3100   1.100   .     S
C3097  C3098   1.424   .     S
C3098  H3101   1.100   .     S
C3098  C3099   1.376   .     S
C3099  H3103   1.100   .     S
O3107  C3111   1.384   .     S
C3108  C3109   1.425   .     S
C3108  C3113   1.423   .     S
C3109  H3114   1.100   .     S
C3109  C3110   1.377   .     S
C3110  C3111   1.406   .     S
C3110  H3115   1.100   .     S
C3111  C3112   1.406   .     S
C3112  H3116   1.101   .     S
C3112  C3113   1.381   .     S
C3113  H3117   1.099   .     S
C3118  C3119   1.425   .     S
C3118  C3138   1.385   .     S
C3118  C3123   1.423   .     S
C3119  C3120   1.380   .     S
C3119  H3124   1.100   .     S
C3120  C3121   1.408   .     S
C3120  H3125   1.101   .     S
C3121  O3183   1.382   .     S
C3121  C3122   1.406   .     S
C3122  C3123   1.376   .     S
C3122  H3126   1.103   .     S
C3123  H3127   1.100   .     S
C3128  C3129   1.401   .     S
C3128  H3180   1.100   .     S
C3128  C3133   1.400   .     S
C3129  H3142   1.100   .     S
C3129  C3130   1.384   .     S
C3130  C3131   1.429   .     S
C3130  H3140   1.100   .     S
C3131  C3132   1.428   .     S
C3131  C3134   1.382   .     S
C3132  C3133   1.385   .     S
C3132  H3141   1.100   .     S
C3133  H3143   1.099   .     S
C3134  N3139   1.352   .     S
C3134  N3135   1.351   .     S
N3135  C3136   1.348   .     S
C3136  N3137   1.349   .     S
C3136  C3147   1.384   .     S
N3137  C3138   1.349   .     S
C3138  N3139   1.349   .     S
C3144  H3181   1.100   .     S
C3144  C3149   1.400   .     S
C3144  C3145   1.400   .     S
C3145  C3146   1.386   .     S
C3145  H3152   1.100   .     S
C3146  C3147   1.428   .     S
C3146  H3150   1.100   .     S
C3147  C3148   1.429   .     S
C3148  C3149   1.385   .     S
C3148  H3151   1.099   .     S
C3149  H3153   1.100   .     S
C3154  C3159   1.401   .     S
C3154  C3155   1.399   .     S
C3154  H3182   1.100   .     S
C3155  C3156   1.384   .     S
C3155  H3162   1.099   .     S
C3156  H3160   1.099   .     S
C3156  C3157   1.428   .     S
C3157  C3168   1.383   .     S
C3157  C3158   1.427   .     S
C3158  H3161   1.100   .     S
C3158  C3159   1.385   .     S
C3159  H3163   1.099   .     S
C3164  N3169   1.350   .     S
C3164  N3165   1.349   .     S
C3164  C3184   1.385   .     S
N3165  C3166   1.354   .     S
C3166  C3173   1.389   .     S
C3166  N3167   1.348   .     S
N3167  C3168   1.349   .     S
C3168  N3169   1.346   .     S
C3170  C3171   1.409   .     S
C3170  C3175   1.403   .     S
C3171  C3172   1.380   .     S
C3171  H3178   1.102   .     S
C3172  C3173   1.423   .     S
C3172  H3176   1.100   .     S
C3173  C3174   1.427   .     S
C3174  H3177   1.099   .     S
C3174  C3175   1.381   .     S
C3175  H3179   1.100   .     S
O3183  C3187   1.383   .     S
C3184  C3189   1.424   .     S
C3184  C3185   1.426   .     S
C3185  C3186   1.377   .     S
C3185  H3190   1.101   .     S
C3186  H3191   1.102   .     S
C3186  C3187   1.405   .     S
C3187  C3188   1.406   .     S
C3188  C3189   1.380   .     S
C3188  H3192   1.102   .     S
C3189  H3193   1.099   .     S
C3194  C3214   1.382   .     S
C3194  C3195   1.424   .     S
C3194  C3199   1.423   .     S
C3195  H3200   1.099   .     S
C3195  C3196   1.378   .     S
C3196  H3201   1.102   .     S
C3196  C3197   1.407   .     S
C3197  O3259   1.383   .     S
C3197  C3198   1.406   .     S
C3198  H3202   1.102   .     S
C3198  C3199   1.378   .     S
C3199  H3203   1.100   .     S
C3204  H3256   1.099   .     S
C3204  C3209   1.402   .     S
C3204  C3205   1.400   .     S
C3205  H3218   1.100   .     S
C3205  C3206   1.384   .     S
C3206  H3216   1.100   .     S
C3206  C3207   1.429   .     S
C3207  C3210   1.383   .     S
C3207  C3208   1.427   .     S
C3208  H3217   1.099   .     S
C3208  C3209   1.385   .     S
C3209  H3219   1.099   .     S
C3210  N3211   1.350   .     S
C3210  N3215   1.347   .     S
N3211  C3212   1.350   .     S
C3212  C3223   1.383   .     S
C3212  N3213   1.349   .     S
N3213  C3214   1.348   .     S
C3214  N3215   1.348   .     S
C3220  H3257   1.100   .     S
C3220  C3221   1.401   .     S
C3220  C3225   1.400   .     S
C3221  C3222   1.385   .     S
C3221  H3228   1.099   .     S
C3222  H3226   1.099   .     S
C3222  C3223   1.428   .     S
C3223  C3224   1.429   .     S
C3224  C3225   1.385   .     S
C3224  H3227   1.100   .     S
C3225  H3229   1.100   .     S
C3230  C3235   1.400   .     S
C3230  C3231   1.400   .     S
C3230  H3258   1.100   .     S
C3231  H3238   1.099   .     S
C3231  C3232   1.384   .     S
C3232  C3233   1.428   .     S
C3232  H3236   1.099   .     S
C3233  C3244   1.384   .     S
C3233  C3234   1.428   .     S
C3234  H3237   1.099   .     S
C3234  C3235   1.385   .     S
C3235  H3239   1.099   .     S
C3240  N3245   1.349   .     S
C3240  C3260   1.385   .     S
C3240  N3241   1.350   .     S
N3241  C3242   1.350   .     S
C3242  C3249   1.384   .     S
C3242  N3243   1.350   .     S
N3243  C3244   1.348   .     S
C3244  N3245   1.348   .     S
C3246  C3247   1.405   .     S
C3246  C3251   1.405   .     S
C3247  H3254   1.103   .     S
C3247  C3248   1.379   .     S
C3248  C3249   1.425   .     S
C3248  H3252   1.099   .     S
C3249  C3250   1.425   .     S
C3250  H3253   1.101   .     S
C3250  C3251   1.376   .     S
C3251  H3255   1.101   .     S
O3259  C3263   1.383   .     S
C3260  C3261   1.425   .     S
C3260  C3265   1.424   .     S
C3261  H3266   1.099   .     S
C3261  C3262   1.377   .     S
C3262  H3267   1.101   .     S
C3262  C3263   1.406   .     S
C3263  C3264   1.406   .     S
C3264  H3268   1.102   .     S
C3264  C3265   1.380   .     S
C3265  H3269   1.100   .     S
C3270  C3290   1.386   .     S
C3270  C3271   1.424   .     S
C3270  C3275   1.422   .     S
C3271  C3272   1.378   .     S
C3271  H3276   1.100   .     S
C3272  H3277   1.101   .     S
C3272  C3273   1.405   .     S
C3273  C3274   1.408   .     S
C3273  O3335   1.384   .     S
C3274  C3275   1.378   .     S
C3274  H3278   1.102   .     S
C3275  H3279   1.100   .     S
C3280  C3285   1.402   .     S
C3280  H3332   1.099   .     S
C3280  C3281   1.401   .     S
C3281  H3294   1.099   .     S
C3281  C3282   1.384   .     S
C3282  C3283   1.429   .     S
C3282  H3292   1.099   .     S
C3283  C3286   1.383   .     S
C3283  C3284   1.427   .     S
C3284  H3293   1.100   .     S
C3284  C3285   1.385   .     S
C3285  H3295   1.098   .     S
C3286  N3287   1.349   .     S
C3286  N3291   1.348   .     S
N3287  C3288   1.350   .     S
C3288  C3299   1.383   .     S
C3288  N3289   1.351   .     S
N3289  C3290   1.348   .     S
C3290  N3291   1.348   .     S
C3296  C3297   1.400   .     S
C3296  H3333   1.100   .     S
C3296  C3301   1.400   .     S
C3297  C3298   1.384   .     S
C3297  H3304   1.099   .     S
C3298  H3302   1.098   .     S
C3298  C3299   1.428   .     S
C3299  C3300   1.429   .     S
C3300  C3301   1.386   .     S
C3300  H3303   1.099   .     S
C3301  H3305   1.100   .     S
C3306  C3311   1.400   .     S
C3306  H3334   1.101   .     S
C3306  C3307   1.399   .     S
C3307  C3308   1.384   .     S
C3307  H3314   1.098   .     S
C3308  H3312   1.099   .     S
C3308  C3309   1.427   .     S
C3309  C3320   1.383   .     S
C3309  C3310   1.427   .     S
C3310  C3311   1.385   .     S
C3310  H3313   1.100   .     S
C3311  H3315   1.100   .     S
C3316  N3317   1.354   .     S
C3316  N3321   1.350   .     S
C3316  C3336   1.387   .     S
N3317  C3318   1.351   .     S
C3318  C3325   1.389   .     S
C3318  N3319   1.351   .     S
N3319  C3320   1.347   .     S
C3320  N3321   1.346   .     S
C3322  C3327   1.405   .     S
C3322  C3323   1.406   .     S
C3323  H3330   1.102   .     S
C3323  C3324   1.385   .     S
C3324  H3328   1.099   .     S
C3324  C3325   1.427   .     S
C3325  C3326   1.425   .     S
C3326  H3329   1.100   .     S
C3326  C3327   1.378   .     S
C3327  H3331   1.101   .     S
O3335  C3339   1.387   .     S
C3336  C3341   1.424   .     S
C3336  C3337   1.427   .     S
C3337  H3342   1.099   .     S
C3337  C3338   1.379   .     S
C3338  H3343   1.100   .     S
C3338  C3339   1.404   .     S
C3339  C3340   1.408   .     S
C3340  C3341   1.381   .     S
C3340  H3344   1.102   .     S
C3341  H3345   1.100   .     S
C3346  C3351   1.424   .     S
C3346  C3347   1.423   .     S
C3346  C3366   1.383   .     S
C3347  H3352   1.099   .     S
C3347  C3348   1.378   .     S
C3348  H3353   1.102   .     S
C3348  C3349   1.406   .     S
C3349  C3350   1.407   .     S
C3349  O3411   1.383   .     S
C3350  H3354   1.102   .     S
C3350  C3351   1.377   .     S
C3351  H3355   1.099   .     S
C3356  C3361   1.402   .     S
C3356  H3408   1.100   .     S
C3356  C3357   1.400   .     S
C3357  H3370   1.101   .     S
C3357  C3358   1.383   .     S
C3358  C3359   1.428   .     S
C3358  H3368   1.100   .     S
C3359  C3362   1.382   .     S
C3359  C3360   1.428   .     S
C3360  C3361   1.385   .     S
C3360  H3369   1.099   .     S
C3361  H3371   1.100   .     S
C3362  N3363   1.349   .     S
C3362  N3367   1.348   .     S
N3363  C3364   1.350   .     S
C3364  C3375   1.383   .     S
C3364  N3365   1.349   .     S
N3365  C3366   1.348   .     S
C3366  N3367   1.349   .     S
C3372  H3409   1.100   .     S
C3372  C3373   1.401   .     S
C3372  C3377   1.401   .     S
C3373  C3374   1.384   .     S
C3373  H3380   1.099   .     S
C3374  H3378   1.100   .     S
C3374  C3375   1.428   .     S
C3375  C3376   1.429   .     S
C3376  C3377   1.384   .     S
C3376  H3379   1.099   .     S
C3377  H3381   1.100   .     S
C3382  H3410   1.100   .     S
C3382  C3387   1.400   .     S
C3382  C3383   1.400   .     S
C3383  C3384   1.385   .     S
C3383  H3390   1.099   .     S
C3384  C3385   1.427   .     S
C3384  H3388   1.099   .     S
C3385  C3386   1.427   .     S
C3385  C3396   1.383   .     S
C3386  C3387   1.385   .     S
C3386  H3389   1.099   .     S
C3387  H3391   1.099   .     S
C3392  C3412   1.384   .     S
C3392  N3397   1.350   .     S
C3392  N3393   1.354   .     S
N3393  C3394   1.350   .     S
C3394  N3395   1.348   .     S
C3394  C3401   1.384   .     S
N3395  C3396   1.346   .     S
C3396  N3397   1.346   .     S
C3398  C3399   1.410   .     S
C3398  C3403   1.404   .     S
C3399  H3406   1.101   .     S
C3399  C3400   1.379   .     S
C3400  C3401   1.422   .     S
C3400  H3404   1.100   .     S
C3401  C3402   1.425   .     S
C3402  C3403   1.375   .     S
C3402  H3405   1.099   .     S
C3403  H3407   1.101   .     S
O3411  C3415   1.384   .     S
C3412  C3413   1.424   .     S
C3412  C3417   1.425   .     S
C3413  H3418   1.101   .     S
C3413  C3414   1.377   .     S
C3414  H3419   1.100   .     S
C3414  C3415   1.406   .     S
C3415  C3416   1.405   .     S
C3416  C3417   1.380   .     S
C3416  H3420   1.102   .     S
C3417  H3421   1.099   .     S
C3422  C3427   1.423   .     S
C3422  C3442   1.383   .     S
C3422  C3423   1.423   .     S
C3423  C3424   1.377   .     S
C3423  H3428   1.100   .     S
C3424  H3429   1.101   .     S
C3424  C3425   1.408   .     S
C3425  C3426   1.406   .     S
C3425  O3487   1.383   .     S
C3426  C3427   1.377   .     S
C3426  H3430   1.102   .     S
C3427  H3431   1.099   .     S
C3432  C3433   1.401   .     S
C3432  H3484   1.099   .     S
C3432  C3437   1.401   .     S
C3433  H3446   1.101   .     S
C3433  C3434   1.384   .     S
C3434  H3444   1.100   .     S
C3434  C3435   1.428   .     S
C3435  C3436   1.428   .     S
C3435  C3438   1.384   .     S
C3436  H3445   1.100   .     S
C3436  C3437   1.385   .     S
C3437  H3447   1.098   .     S
C3438  N3443   1.347   .     S
C3438  N3439   1.349   .     S
N3439  C3440   1.350   .     S
C3440  N3441   1.350   .     S
C3440  C3451   1.383   .     S
N3441  C3442   1.347   .     S
C3442  N3443   1.349   .     S
C3448  H3485   1.100   .     S
C3448  C3453   1.400   .     S
C3448  C3449   1.400   .     S
C3449  H3456   1.099   .     S
C3449  C3450   1.384   .     S
C3450  C3451   1.428   .     S
C3450  H3454   1.099   .     S
C3451  C3452   1.429   .     S
C3452  H3455   1.098   .     S
C3452  C3453   1.385   .     S
C3453  H3457   1.100   .     S
C3458  C3459   1.401   .     S
C3458  H3486   1.099   .     S
C3458  C3463   1.401   .     S
C3459  C3460   1.385   .     S
C3459  H3466   1.099   .     S
C3460  H3464   1.099   .     S
C3460  C3461   1.427   .     S
C3461  C3462   1.427   .     S
C3461  C3472   1.383   .     S
C3462  C3463   1.385   .     S
C3462  H3465   1.100   .     S
C3463  H3467   1.099   .     S
C3468  N3469   1.349   .     S
C3468  N3473   1.348   .     S
C3468  C3488   1.384   .     S
N3469  C3470   1.351   .     S
C3470  N3471   1.350   .     S
C3470  C3477   1.384   .     S
N3471  C3472   1.347   .     S
C3472  N3473   1.345   .     S
C3474  C3475   1.407   .     S
C3474  C3479   1.403   .     S
C3475  H3482   1.102   .     S
C3475  C3476   1.378   .     S
C3476  H3480   1.100   .     S
C3476  C3477   1.424   .     S
C3477  C3478   1.425   .     S
C3478  H3481   1.099   .     S
C3478  C3479   1.378   .     S
C3479  H3483   1.101   .     S
O3487  C3491   1.383   .     S
C3488  C3493   1.423   .     S
C3488  C3489   1.425   .     S
C3489  H3494   1.100   .     S
C3489  C3490   1.377   .     S
C3490  H3495   1.100   .     S
C3490  C3491   1.406   .     S
C3491  C3492   1.406   .     S
C3492  C3493   1.381   .     S
C3492  H3496   1.101   .     S
C3493  H3497   1.099   .     S
C3498  C3503   1.423   .     S
C3498  C3499   1.422   .     S
C3498  C3518   1.383   .     S
C3499  C3500   1.378   .     S
C3499  H3504   1.099   .     S
C3500  H3505   1.102   .     S
C3500  C3501   1.407   .     S
C3501  O3563   1.382   .     S
C3501  C3502   1.405   .     S
C3502  H3506   1.102   .     S
C3502  C3503   1.378   .     S
C3503  H3507   1.100   .     S
C3508  H3560   1.100   .     S
C3508  C3509   1.400   .     S
C3508  C3513   1.400   .     S
C3509  C3510   1.384   .     S
C3509  H3522   1.100   .     S
C3510  H3520   1.099   .     S
C3510  C3511   1.428   .     S
C3511  C3514   1.383   .     S
C3511  C3512   1.428   .     S
C3512  H3521   1.100   .     S
C3512  C3513   1.384   .     S
C3513  H3523   1.099   .     S
C3514  N3515   1.349   .     S
C3514  N3519   1.349   .     S
N3515  C3516   1.349   .     S
C3516  N3517   1.349   .     S
C3516  C3527   1.383   .     S
N3517  C3518   1.348   .     S
C3518  N3519   1.349   .     S
C3524  C3529   1.400   .     S
C3524  H3561   1.100   .     S
C3524  C3525   1.401   .     S
C3525  C3526   1.385   .     S
C3525  H3532   1.099   .     S
C3526  C3527   1.427   .     S
C3526  H3530   1.098   .     S
C3527  C3528   1.429   .     S
C3528  C3529   1.385   .     S
C3528  H3531   1.098   .     S
C3529  H3533   1.100   .     S
C3534  C3535   1.401   .     S
C3534  C3539   1.401   .     S
C3534  H3562   1.099   .     S
C3535  C3536   1.384   .     S
C3535  H3542   1.100   .     S
C3536  H3540   1.099   .     S
C3536  C3537   1.428   .     S
C3537  C3538   1.426   .     S
C3537  C3548   1.382   .     S
C3538  H3541   1.099   .     S
C3538  C3539   1.384   .     S
C3539  H3543   1.100   .     S
C3544  N3549   1.351   .     S
C3544  N3545   1.347   .     S
C3544  C3564   1.383   .     S
N3545  C3546   1.350   .     S
C3546  C3553   1.385   .     S
C3546  N3547   1.348   .     S
N3547  C3548   1.348   .     S
C3548  N3549   1.347   .     S
C3550  C3551   1.408   .     S
C3550  C3555   1.405   .     S
C3551  C3552   1.379   .     S
C3551  H3558   1.101   .     S
C3552  C3553   1.423   .     S
C3552  H3556   1.100   .     S
C3553  C3554   1.424   .     S
C3554  H3557   1.101   .     S
C3554  C3555   1.378   .     S
C3555  H3559   1.100   .     S
O3563  C3567   1.382   .     S
C3564  C3565   1.423   .     S
C3564  C3569   1.424   .     S
C3565  C3566   1.376   .     S
C3565  H3570   1.101   .     S
C3566  H3571   1.100   .     S
C3566  C3567   1.406   .     S
C3567  C3568   1.406   .     S
C3568  H3572   1.102   .     S
C3568  C3569   1.380   .     S
C3569  H3573   1.099   .     S
C3574  C3579   1.421   .     S
C3574  C3594   1.383   .     S
C3574  C3575   1.423   .     S
C3575  C3576   1.378   .     S
C3575  H3580   1.100   .     S
C3576  C3577   1.407   .     S
C3576  H3581   1.101   .     S
C3577  C3578   1.407   .     S
C3577  O3639   1.382   .     S
C3578  H3582   1.102   .     S
C3578  C3579   1.376   .     S
C3579  H3583   1.100   .     S
C3584  H3636   1.100   .     S
C3584  C3589   1.400   .     S
C3584  C3585   1.401   .     S
C3585  H3598   1.100   .     S
C3585  C3586   1.385   .     S
C3586  H3596   1.099   .     S
C3586  C3587   1.429   .     S
C3587  C3590   1.383   .     S
C3587  C3588   1.427   .     S
C3588  H3597   1.100   .     S
C3588  C3589   1.385   .     S
C3589  H3599   1.099   .     S
C3590  N3591   1.349   .     S
C3590  N3595   1.348   .     S
N3591  C3592   1.351   .     S
C3592  C3603   1.383   .     S
C3592  N3593   1.349   .     S
N3593  C3594   1.348   .     S
C3594  N3595   1.347   .     S
C3600  H3637   1.099   .     S
C3600  C3601   1.400   .     S
C3600  C3605   1.401   .     S
C3601  H3608   1.099   .     S
C3601  C3602   1.383   .     S
C3602  H3606   1.099   .     S
C3602  C3603   1.427   .     S
C3603  C3604   1.430   .     S
C3604  C3605   1.384   .     S
C3604  H3607   1.099   .     S
C3605  H3609   1.100   .     S
C3610  H3638   1.099   .     S
C3610  C3615   1.400   .     S
C3610  C3611   1.401   .     S
C3611  C3612   1.384   .     S
C3611  H3618   1.099   .     S
C3612  C3613   1.426   .     S
C3612  H3616   1.100   .     S
C3613  C3624   1.381   .     S
C3613  C3614   1.427   .     S
C3614  H3617   1.100   .     S
C3614  C3615   1.384   .     S
C3615  H3619   1.099   .     S
C3620  C3640   1.384   .     S
C3620  N3625   1.349   .     S
C3620  N3621   1.350   .     S
N3621  C3622   1.353   .     S
C3622  C3629   1.388   .     S
C3622  N3623   1.348   .     S
N3623  C3624   1.351   .     S
C3624  N3625   1.348   .     S
C3626  C3631   1.403   .     S
C3626  C3627   1.410   .     S
C3627  H3634   1.103   .     S
C3627  C3628   1.378   .     S
C3628  H3632   1.100   .     S
C3628  C3629   1.420   .     S
C3629  C3630   1.428   .     S
C3630  H3633   1.100   .     S
C3630  C3631   1.383   .     S
C3631  H3635   1.098   .     S
O3639  C3643   1.382   .     S
C3640  C3641   1.425   .     S
C3640  C3645   1.424   .     S
C3641  C3642   1.379   .     S
C3641  H3646   1.100   .     S
C3642  C3643   1.405   .     S
C3642  H3647   1.101   .     S
C3643  C3644   1.406   .     S
C3644  C3645   1.378   .     S
C3644  H3648   1.102   .     S
C3645  H3649   1.100   .     S
C3650  C3670   1.384   .     S
C3650  C3655   1.422   .     S
C3650  C3651   1.425   .     S
C3651  C3652   1.379   .     S
C3651  H3656   1.100   .     S
C3652  C3653   1.406   .     S
C3652  H3657   1.102   .     S
C3653  O3715   1.382   .     S
C3653  C3654   1.407   .     S
C3654  C3655   1.378   .     S
C3654  H3658   1.101   .     S
C3655  H3659   1.100   .     S
C3660  C3661   1.399   .     S
C3660  H3712   1.099   .     S
C3660  C3665   1.400   .     S
C3661  H3674   1.100   .     S
C3661  C3662   1.384   .     S
C3662  H3672   1.099   .     S
C3662  C3663   1.428   .     S
C3663  C3664   1.429   .     S
C3663  C3666   1.383   .     S
C3664  H3673   1.100   .     S
C3664  C3665   1.385   .     S
C3665  H3675   1.099   .     S
C3666  N3671   1.349   .     S
C3666  N3667   1.349   .     S
N3667  C3668   1.350   .     S
C3668  N3669   1.350   .     S
C3668  C3679   1.382   .     S
N3669  C3670   1.350   .     S
C3670  N3671   1.348   .     S
C3676  H3713   1.100   .     S
C3676  C3677   1.401   .     S
C3676  C3681   1.400   .     S
C3677  H3684   1.099   .     S
C3677  C3678   1.384   .     S
C3678  H3682   1.100   .     S
C3678  C3679   1.427   .     S
C3679  C3680   1.429   .     S
C3680  H3683   1.099   .     S
C3680  C3681   1.386   .     S
C3681  H3685   1.100   .     S
C3686  C3687   1.401   .     S
C3686  H3714   1.099   .     S
C3686  C3691   1.401   .     S
C3687  C3688   1.385   .     S
C3687  H3694   1.098   .     S
C3688  C3689   1.428   .     S
C3688  H3692   1.099   .     S
C3689  C3700   1.383   .     S
C3689  C3690   1.428   .     S
C3690  C3691   1.384   .     S
C3690  H3693   1.099   .     S
C3691  H3695   1.099   .     S
C3696  N3697   1.350   .     S
C3696  N3701   1.349   .     S
C3696  C3716   1.384   .     S
N3697  C3698   1.350   .     S
C3698  N3699   1.348   .     S
C3698  C3705   1.385   .     S
N3699  C3700   1.349   .     S
C3700  N3701   1.350   .     S
C3702  C3703   1.406   .     S
C3702  C3707   1.405   .     S
C3703  C3704   1.378   .     S
C3703  H3710   1.100   .     S
C3704  H3708   1.099   .     S
C3704  C3705   1.424   .     S
C3705  C3706   1.424   .     S
C3706  C3707   1.379   .     S
C3706  H3709   1.100   .     S
C3707  H3711   1.100   .     S
O3715  C3719   1.384   .     S
C3716  C3721   1.423   .     S
C3716  C3717   1.425   .     S
C3717  H3722   1.100   .     S
C3717  C3718   1.379   .     S
C3718  C3719   1.406   .     S
C3718  H3723   1.101   .     S
C3719  C3720   1.407   .     S
C3720  C3721   1.379   .     S
C3720  H3724   1.102   .     S
C3721  H3725   1.099   .     S
C3726  C3746   1.384   .     S
C3726  C3731   1.423   .     S
C3726  C3727   1.424   .     S
C3727  H3732   1.100   .     S
C3727  C3728   1.378   .     S
C3728  H3733   1.100   .     S
C3728  C3729   1.405   .     S
C3729  O3791   1.384   .     S
C3729  C3730   1.408   .     S
C3730  H3734   1.104   .     S
C3730  C3731   1.379   .     S
C3731  H3735   1.100   .     S
C3736  C3737   1.400   .     S
C3736  C3741   1.400   .     S
C3736  H3788   1.100   .     S
C3737  C3738   1.385   .     S
C3737  H3750   1.100   .     S
C3738  H3748   1.099   .     S
C3738  C3739   1.428   .     S
C3739  C3740   1.426   .     S
C3739  C3742   1.384   .     S
C3740  C3741   1.386   .     S
C3740  H3749   1.099   .     S
C3741  H3751   1.098   .     S
C3742  N3743   1.347   .     S
C3742  N3747   1.347   .     S
N3743  C3744   1.353   .     S
C3744  N3745   1.352   .     S
C3744  C3755   1.382   .     S
N3745  C3746   1.350   .     S
C3746  N3747   1.347   .     S
C3752  C3757   1.400   .     S
C3752  H3789   1.100   .     S
C3752  C3753   1.400   .     S
C3753  C3754   1.385   .     S
C3753  H3760   1.099   .     S
C3754  C3755   1.429   .     S
C3754  H3758   1.100   .     S
C3755  C3756   1.429   .     S
C3756  H3759   1.099   .     S
C3756  C3757   1.385   .     S
C3757  H3761   1.100   .     S
C3762  C3767   1.400   .     S
C3762  C3763   1.401   .     S
C3762  H3790   1.100   .     S
C3763  H3770   1.098   .     S
C3763  C3764   1.384   .     S
C3764  H3768   1.098   .     S
C3764  C3765   1.426   .     S
C3765  C3776   1.384   .     S
C3765  C3766   1.429   .     S
C3766  C3767   1.385   .     S
C3766  H3769   1.099   .     S
C3767  H3771   1.099   .     S
C3772  N3773   1.352   .     S
C3772  N3777   1.348   .     S
C3772  C3792   1.388   .     S
N3773  C3774   1.351   .     S
C3774  C3781   1.384   .     S
C3774  N3775   1.350   .     S
N3775  C3776   1.348   .     S
C3776  N3777   1.349   .     S
C3778  C3779   1.405   .     S
C3778  C3783   1.406   .     S
C3779  C3780   1.380   .     S
C3779  H3786   1.101   .     S
C3780  C3781   1.423   .     S
C3780  H3784   1.099   .     S
C3781  C3782   1.425   .     S
C3782  C3783   1.377   .     S
C3782  H3785   1.100   .     S
C3783  H3787   1.100   .     S
O3791  C3795   1.387   .     S
C3792  C3793   1.426   .     S
C3792  C3797   1.423   .     S
C3793  H3798   1.099   .     S
C3793  C3794   1.380   .     S
C3794  H3799   1.100   .     S
C3794  C3795   1.405   .     S
C3795  C3796   1.408   .     S
C3796  H3800   1.102   .     S
C3796  C3797   1.380   .     S
C3797  H3801   1.099   .     S
C3802  C3803   1.425   .     S
C3802  C3807   1.423   .     S
C3802  C3822   1.382   .     S
C3803  C3804   1.378   .     S
C3803  H3808   1.099   .     S
C3804  C3805   1.407   .     S
C3804  H3809   1.102   .     S
C3805  O3867   1.382   .     S
C3805  C3806   1.406   .     S
C3806  H3810   1.101   .     S
C3806  C3807   1.376   .     S
C3807  H3811   1.099   .     S
C3812  H3864   1.099   .     S
C3812  C3813   1.400   .     S
C3812  C3817   1.400   .     S
C3813  H3826   1.100   .     S
C3813  C3814   1.385   .     S
C3814  C3815   1.428   .     S
C3814  H3824   1.099   .     S
C3815  C3818   1.383   .     S
C3815  C3816   1.428   .     S
C3816  H3825   1.100   .     S
C3816  C3817   1.385   .     S
C3817  H3827   1.099   .     S
C3818  N3823   1.348   .     S
C3818  N3819   1.350   .     S
N3819  C3820   1.349   .     S
C3820  N3821   1.349   .     S
C3820  C3831   1.382   .     S
N3821  C3822   1.349   .     S
C3822  N3823   1.350   .     S
C3828  C3829   1.400   .     S
C3828  H3865   1.098   .     S
C3828  C3833   1.400   .     S
C3829  H3836   1.099   .     S
C3829  C3830   1.383   .     S
C3830  C3831   1.428   .     S
C3830  H3834   1.100   .     S
C3831  C3832   1.430   .     S
C3832  C3833   1.385   .     S
C3832  H3835   1.099   .     S
C3833  H3837   1.100   .     S
C3838  C3839   1.400   .     S
C3838  C3843   1.401   .     S
C3838  H3866   1.099   .     S
C3839  C3840   1.384   .     S
C3839  H3846   1.099   .     S
C3840  C3841   1.428   .     S
C3840  H3844   1.099   .     S
C3841  C3852   1.382   .     S
C3841  C3842   1.426   .     S
C3842  H3845   1.099   .     S
C3842  C3843   1.385   .     S
C3843  H3847   1.098   .     S
C3848  N3849   1.350   .     S
C3848  C3868   1.386   .     S
C3848  N3853   1.348   .     S
N3849  C3850   1.349   .     S
C3850  C3857   1.384   .     S
C3850  N3851   1.348   .     S
N3851  C3852   1.346   .     S
C3852  N3853   1.349   .     S
C3854  C3855   1.408   .     S
C3854  C3859   1.402   .     S
C3855  H3862   1.101   .     S
C3855  C3856   1.379   .     S
C3856  H3860   1.099   .     S
C3856  C3857   1.421   .     S
C3857  C3858   1.425   .     S
C3858  C3859   1.375   .     S
C3858  H3861   1.100   .     S
C3859  H3863   1.101   .     S
O3867  C3871   1.382   .     S
C3868  C3873   1.424   .     S
C3868  C3869   1.426   .     S
C3869  C3870   1.379   .     S
C3869  H3874   1.100   .     S
C3870  C3871   1.405   .     S
C3870  H3875   1.100   .     S
C3871  C3872   1.405   .     S
C3872  H3876   1.101   .     S
C3872  C3873   1.380   .     S
C3873  H3877   1.099   .     S
C3878  C3898   1.384   .     S
C3878  C3879   1.424   .     S
C3878  C3883   1.423   .     S
C3879  C3880   1.377   .     S
C3879  H3884   1.100   .     S
C3880  C3881   1.407   .     S
C3880  H3885   1.102   .     S
C3881  O3943   1.384   .     S
C3881  C3882   1.406   .     S
C3882  H3886   1.102   .     S
C3882  C3883   1.378   .     S
C3883  H3887   1.100   .     S
C3888  C3893   1.401   .     S
C3888  C3889   1.400   .     S
C3888  H3940   1.100   .     S
C3889  C3890   1.384   .     S
C3889  H3902   1.101   .     S
C3890  H3900   1.099   .     S
C3890  C3891   1.428   .     S
C3891  C3892   1.427   .     S
C3891  C3894   1.383   .     S
C3892  H3901   1.099   .     S
C3892  C3893   1.385   .     S
C3893  H3903   1.099   .     S
C3894  N3895   1.350   .     S
C3894  N3899   1.348   .     S
N3895  C3896   1.350   .     S
C3896  N3897   1.351   .     S
C3896  C3907   1.383   .     S
N3897  C3898   1.348   .     S
C3898  N3899   1.348   .     S
C3904  H3941   1.099   .     S
C3904  C3909   1.400   .     S
C3904  C3905   1.400   .     S
C3905  C3906   1.384   .     S
C3905  H3912   1.099   .     S
C3906  C3907   1.428   .     S
C3906  H3910   1.099   .     S
C3907  C3908   1.429   .     S
C3908  H3911   1.099   .     S
C3908  C3909   1.384   .     S
C3909  H3913   1.100   .     S
C3914  H3942   1.100   .     S
C3914  C3919   1.401   .     S
C3914  C3915   1.400   .     S
C3915  H3922   1.099   .     S
C3915  C3916   1.385   .     S
C3916  C3917   1.427   .     S
C3916  H3920   1.099   .     S
C3917  C3918   1.426   .     S
C3917  C3928   1.383   .     S
C3918  C3919   1.385   .     S
C3918  H3921   1.099   .     S
C3919  H3923   1.100   .     S
C3924  N3925   1.351   .     S
C3924  N3929   1.350   .     S
C3924  C3944   1.384   .     S
N3925  C3926   1.351   .     S
C3926  N3927   1.350   .     S
C3926  C3933   1.387   .     S
N3927  C3928   1.348   .     S
C3928  N3929   1.346   .     S
C3930  C3935   1.406   .     S
C3930  C3931   1.406   .     S
C3931  H3938   1.101   .     S
C3931  C3932   1.382   .     S
C3932  H3936   1.100   .     S
C3932  C3933   1.426   .     S
C3933  C3934   1.424   .     S
C3934  C3935   1.376   .     S
C3934  H3937   1.099   .     S
C3935  H3939   1.102   .     S
O3943  C3947   1.386   .     S
C3944  C3949   1.424   .     S
C3944  C3945   1.425   .     S
C3945  H3950   1.100   .     S
C3945  C3946   1.376   .     S
C3946  H3951   1.100   .     S
C3946  C3947   1.405   .     S
C3947  C3948   1.408   .     S
C3948  H3952   1.102   .     S
C3948  C3949   1.380   .     S
C3949  H3953   1.100   .     S
C3954  C3955   1.424   .     S
C3954  C3959   1.423   .     S
C3954  C3974   1.383   .     S
C3955  C3956   1.378   .     S
C3955  H3960   1.099   .     S
C3956  H3961   1.102   .     S
C3956  C3957   1.407   .     S
C3957  C3958   1.406   .     S
C3957  O4019   1.383   .     S
C3958  H3962   1.102   .     S
C3958  C3959   1.377   .     S
C3959  H3963   1.100   .     S
C3964  H4016   1.099   .     S
C3964  C3969   1.401   .     S
C3964  C3965   1.401   .     S
C3965  H3978   1.102   .     S
C3965  C3966   1.385   .     S
C3966  C3967   1.428   .     S
C3966  H3976   1.099   .     S
C3967  C3970   1.383   .     S
C3967  C3968   1.428   .     S
C3968  H3977   1.099   .     S
C3968  C3969   1.384   .     S
C3969  H3979   1.099   .     S
C3970  N3971   1.350   .     S
C3970  N3975   1.348   .     S
N3971  C3972   1.350   .     S
C3972  N3973   1.350   .     S
C3972  C3983   1.383   .     S
N3973  C3974   1.349   .     S
C3974  N3975   1.348   .     S
C3980  H4017   1.100   .     S
C3980  C3981   1.400   .     S
C3980  C3985   1.400   .     S
C3981  C3982   1.384   .     S
C3981  H3988   1.100   .     S
C3982  H3986   1.099   .     S
C3982  C3983   1.428   .     S
C3983  C3984   1.429   .     S
C3984  H3987   1.100   .     S
C3984  C3985   1.384   .     S
C3985  H3989   1.100   .     S
C3990  H4018   1.099   .     S
C3990  C3991   1.400   .     S
C3990  C3995   1.400   .     S
C3991  H3998   1.099   .     S
C3991  C3992   1.386   .     S
C3992  H3996   1.100   .     S
C3992  C3993   1.426   .     S
C3993  C3994   1.427   .     S
C3993  C4004   1.383   .     S
C3994  C3995   1.385   .     S
C3994  H3997   1.099   .     S
C3995  H3999   1.099   .     S
C4000  N4005   1.348   .     S
C4000  C4020   1.385   .     S
C4000  N4001   1.348   .     S
N4001  C4002   1.349   .     S
C4002  C4009   1.383   .     S
C4002  N4003   1.348   .     S
N4003  C4004   1.349   .     S
C4004  N4005   1.347   .     S
C4006  C4007   1.404   .     S
C4006  C4011   1.407   .     S
C4007  C4008   1.378   .     S
C4007  H4014   1.102   .     S
C4008  H4012   1.098   .     S
C4008  C4009   1.425   .     S
C4009  C4010   1.422   .     S
C4010  C4011   1.377   .     S
C4010  H4013   1.100   .     S
C4011  H4015   1.099   .     S
O4019  C4023   1.384   .     S
C4020  C4025   1.423   .     S
C4020  C4021   1.424   .     S
C4021  H4026   1.100   .     S
C4021  C4022   1.377   .     S
C4022  C4023   1.406   .     S
C4022  H4027   1.100   .     S
C4023  C4024   1.406   .     S
C4024  H4028   1.102   .     S
C4024  C4025   1.381   .     S
C4025  H4029   1.099   .     S
