# 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     0.49321  -0.48817  -0.53614   0.00000  Uiso   1.00
C2     C     0.50090  -0.48280  -0.53699   0.00000  Uiso   1.00
C3     C     0.50041  -0.47359  -0.53657   0.00000  Uiso   1.00
C4     C     0.49212  -0.46929  -0.53502   0.00000  Uiso   1.00
C5     C     0.48438  -0.47467  -0.53404   0.00000  Uiso   1.00
C6     C     0.48496  -0.48385  -0.53468   0.00000  Uiso   1.00
H7     H     0.50744  -0.48589  -0.53830   0.00000  Uiso   1.00
H8     H     0.50655  -0.46968  -0.53742   0.00000  Uiso   1.00
H9     H     0.47783  -0.47161  -0.53282   0.00000  Uiso   1.00
H10    H     0.47882  -0.48777  -0.53372   0.00000  Uiso   1.00
C11    C     0.52179  -0.43103  -0.53645   0.00000  Uiso   1.00
C12    C     0.51351  -0.42710  -0.53420   0.00000  Uiso   1.00
C13    C     0.50574  -0.43206  -0.53374   0.00000  Uiso   1.00
C14    C     0.50591  -0.44142  -0.53518   0.00000  Uiso   1.00
C15    C     0.51422  -0.44541  -0.53744   0.00000  Uiso   1.00
C16    C     0.52188  -0.44029  -0.53813   0.00000  Uiso   1.00
H17    H     0.49947  -0.42866  -0.53202   0.00000  Uiso   1.00
H18    H     0.51471  -0.45262  -0.53875   0.00000  Uiso   1.00
H19    H     0.51309  -0.41985  -0.53302   0.00000  Uiso   1.00
H20    H     0.52821  -0.44369  -0.53969   0.00000  Uiso   1.00
C21    C     0.49159  -0.46012  -0.53432   0.00000  Uiso   1.00
N22    N     0.48351  -0.45661  -0.53257   0.00000  Uiso   1.00
C23    C     0.48339  -0.44767  -0.53169   0.00000  Uiso   1.00
N24    N     0.49055  -0.44229  -0.53245   0.00000  Uiso   1.00
C25    C     0.49827  -0.44653  -0.53427   0.00000  Uiso   1.00
N26    N     0.49919  -0.45542  -0.53526   0.00000  Uiso   1.00
C27    C     0.45939  -0.43627  -0.52248   0.00000  Uiso   1.00
C28    C     0.46010  -0.44552  -0.52406   0.00000  Uiso   1.00
C29    C     0.46771  -0.44923  -0.52773   0.00000  Uiso   1.00
C30    C     0.47529  -0.44382  -0.52954   0.00000  Uiso   1.00
C31    C     0.47449  -0.43447  -0.52830   0.00000  Uiso   1.00
C32    C     0.46671  -0.43085  -0.52489   0.00000  Uiso   1.00
H33    H     0.46797  -0.45650  -0.52865   0.00000  Uiso   1.00
H34    H     0.48017  -0.43002  -0.52964   0.00000  Uiso   1.00
H35    H     0.45442  -0.44995  -0.52258   0.00000  Uiso   1.00
H36    H     0.46654  -0.42360  -0.52372   0.00000  Uiso   1.00
N37    N     0.49377  -0.49773  -0.53670   0.00000  Uiso   1.00
C38    C     0.48627  -0.50285  -0.53972   0.00000  Uiso   1.00
C39    C     0.50169  -0.50228  -0.53384   0.00000  Uiso   1.00
C40    C     0.48381  -0.51083  -0.53538   0.00000  Uiso   1.00
C41    C     0.47617  -0.51541  -0.53778   0.00000  Uiso   1.00
C42    C     0.47080  -0.51230  -0.54496   0.00000  Uiso   1.00
C43    C     0.47364  -0.50466  -0.54977   0.00000  Uiso   1.00
C44    C     0.48105  -0.49993  -0.54698   0.00000  Uiso   1.00
C45    C     0.50499  -0.50963  -0.53872   0.00000  Uiso   1.00
C46    C     0.51283  -0.51383  -0.53626   0.00000  Uiso   1.00
C47    C     0.51733  -0.51129  -0.52832   0.00000  Uiso   1.00
C48    C     0.51385  -0.50407  -0.52326   0.00000  Uiso   1.00
C49    C     0.50635  -0.49954  -0.52614   0.00000  Uiso   1.00
H50    H     0.48777  -0.51325  -0.52967   0.00000  Uiso   1.00
H51    H     0.47421  -0.52135  -0.53396   0.00000  Uiso   1.00
H52    H     0.46965  -0.50198  -0.55531   0.00000  Uiso   1.00
H53    H     0.48302  -0.49392  -0.55071   0.00000  Uiso   1.00
H54    H     0.50150  -0.51188  -0.54478   0.00000  Uiso   1.00
H55    H     0.51523  -0.51946  -0.54031   0.00000  Uiso   1.00
H56    H     0.51715  -0.50185  -0.51710   0.00000  Uiso   1.00
H57    H     0.50383  -0.49395  -0.52208   0.00000  Uiso   1.00
C58    C     0.54673  -0.54554  -0.54518   0.00000  Uiso   1.00
C59    C     0.55025  -0.54414  -0.53654   0.00000  Uiso   1.00
C60    C     0.54677  -0.53775  -0.53085   0.00000  Uiso   1.00
C61    C     0.53932  -0.53254  -0.53352   0.00000  Uiso   1.00
C62    C     0.53600  -0.53370  -0.54234   0.00000  Uiso   1.00
C63    C     0.53967  -0.53999  -0.54799   0.00000  Uiso   1.00
H64    H     0.55606  -0.54805  -0.53428   0.00000  Uiso   1.00
H65    H     0.54970  -0.53697  -0.52416   0.00000  Uiso   1.00
H66    H     0.53035  -0.52971  -0.54475   0.00000  Uiso   1.00
H67    H     0.53668  -0.54089  -0.55465   0.00000  Uiso   1.00
C68    C     0.54310  -0.51698  -0.48758   0.00000  Uiso   1.00
C69    C     0.53657  -0.51121  -0.49121   0.00000  Uiso   1.00
C70    C     0.53380  -0.51186  -0.49999   0.00000  Uiso   1.00
C71    C     0.53755  -0.51839  -0.50574   0.00000  Uiso   1.00
C72    C     0.54419  -0.52414  -0.50218   0.00000  Uiso   1.00
C73    C     0.54673  -0.52349  -0.49333   0.00000  Uiso   1.00
H74    H     0.52865  -0.50725  -0.50243   0.00000  Uiso   1.00
H75    H     0.54718  -0.52939  -0.50633   0.00000  Uiso   1.00
H76    H     0.53372  -0.50580  -0.48712   0.00000  Uiso   1.00
H77    H     0.55161  -0.52839  -0.49082   0.00000  Uiso   1.00
C78    C     0.53527  -0.52655  -0.52777   0.00000  Uiso   1.00
N79    N     0.52815  -0.52211  -0.53098   0.00000  Uiso   1.00
C80    C     0.52471  -0.51600  -0.52539   0.00000  Uiso   1.00
N81    N     0.52774  -0.51422  -0.51713   0.00000  Uiso   1.00
C82    C     0.53458  -0.51940  -0.51443   0.00000  Uiso   1.00
N83    N     0.53868  -0.52559  -0.51951   0.00000  Uiso   1.00
N84    N     0.55004  -0.55255  -0.55088   0.00000  Uiso   1.00
C85    C     0.54990  -0.55153  -0.56042   0.00000  Uiso   1.00
C86    C     0.55287  -0.56090  -0.54698   0.00000  Uiso   1.00
C87    C     0.54742  -0.55872  -0.56594   0.00000  Uiso   1.00
C88    C     0.54695  -0.55780  -0.57509   0.00000  Uiso   1.00
C89    C     0.54947  -0.54968  -0.57930   0.00000  Uiso   1.00
C90    C     0.55210  -0.54244  -0.57379   0.00000  Uiso   1.00
C91    C     0.55209  -0.54335  -0.56458   0.00000  Uiso   1.00
C92    C     0.55965  -0.56613  -0.55092   0.00000  Uiso   1.00
C93    C     0.56251  -0.57401  -0.54704   0.00000  Uiso   1.00
C94    C     0.55869  -0.57707  -0.53892   0.00000  Uiso   1.00
C95    C     0.55159  -0.57204  -0.53518   0.00000  Uiso   1.00
C96    C     0.54891  -0.56411  -0.53906   0.00000  Uiso   1.00
H97    H     0.54545  -0.56515  -0.56298   0.00000  Uiso   1.00
H98    H     0.54486  -0.56363  -0.57901   0.00000  Uiso   1.00
H99    H     0.55399  -0.53600  -0.57674   0.00000  Uiso   1.00
H100   H     0.55418  -0.53763  -0.56046   0.00000  Uiso   1.00
H101   H     0.56301  -0.56380  -0.55704   0.00000  Uiso   1.00
H102   H     0.56797  -0.57773  -0.55023   0.00000  Uiso   1.00
H103   H     0.54837  -0.57415  -0.52895   0.00000  Uiso   1.00
H104   H     0.54335  -0.56043  -0.53596   0.00000  Uiso   1.00
C105   C     0.43526  -0.50883  -0.57781   0.00000  Uiso   1.00
C106   C     0.43165  -0.51485  -0.57155   0.00000  Uiso   1.00
C107   C     0.43647  -0.51765  -0.56420   0.00000  Uiso   1.00
C108   C     0.44523  -0.51438  -0.56262   0.00000  Uiso   1.00
C109   C     0.44885  -0.50823  -0.56881   0.00000  Uiso   1.00
C110   C     0.44406  -0.50576  -0.57629   0.00000  Uiso   1.00
H111   H     0.42495  -0.51769  -0.57260   0.00000  Uiso   1.00
H112   H     0.43335  -0.52239  -0.55957   0.00000  Uiso   1.00
H113   H     0.45565  -0.50561  -0.56796   0.00000  Uiso   1.00
H114   H     0.44735  -0.50117  -0.58098   0.00000  Uiso   1.00
C115   C     0.44148  -0.54511  -0.52530   0.00000  Uiso   1.00
C116   C     0.44987  -0.54108  -0.52384   0.00000  Uiso   1.00
C117   C     0.45345  -0.53511  -0.52988   0.00000  Uiso   1.00
C118   C     0.44856  -0.53263  -0.53761   0.00000  Uiso   1.00
C119   C     0.44019  -0.53677  -0.53919   0.00000  Uiso   1.00
C120   C     0.43678  -0.54283  -0.53312   0.00000  Uiso   1.00
H121   H     0.45999  -0.53213  -0.52843   0.00000  Uiso   1.00
H122   H     0.43627  -0.53515  -0.54517   0.00000  Uiso   1.00
H123   H     0.45368  -0.54261  -0.51774   0.00000  Uiso   1.00
H124   H     0.43037  -0.54607  -0.53466   0.00000  Uiso   1.00
C125   C     0.45022  -0.51719  -0.55537   0.00000  Uiso   1.00
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H147   H     0.43743  -0.51321  -0.60074   0.00000  Uiso   1.00
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C152   C     0.44911  -0.42338  -0.51964   0.00000  Uiso   1.00
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C1964  C     0.69964  -0.42043  -0.54031   0.00000  Uiso   1.00
C1965  C     0.69345  -0.41465  -0.53662   0.00000  Uiso   1.00
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H1969  H     0.69416  -0.41292  -0.52950   0.00000  Uiso   1.00
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C1971  C     0.71655  -0.44311  -0.58841   0.00000  Uiso   1.00
C1972  C     0.71718  -0.44149  -0.57934   0.00000  Uiso   1.00
C1973  C     0.71033  -0.43657  -0.57492   0.00000  Uiso   1.00
C1974  C     0.70285  -0.43352  -0.57996   0.00000  Uiso   1.00
C1975  C     0.70239  -0.43523  -0.58902   0.00000  Uiso   1.00
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C1986  C     0.74097  -0.44415  -0.53846   0.00000  Uiso   1.00
C1987  C     0.73429  -0.43925  -0.53415   0.00000  Uiso   1.00
C1988  C     0.72688  -0.43636  -0.53884   0.00000  Uiso   1.00
C1989  C     0.72603  -0.43839  -0.54810   0.00000  Uiso   1.00
C1990  C     0.73290  -0.44342  -0.55238   0.00000  Uiso   1.00
C1991  C     0.74025  -0.44621  -0.54754   0.00000  Uiso   1.00
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H1993  H     0.73247  -0.44510  -0.55950   0.00000  Uiso   1.00
H1994  H     0.73497  -0.43769  -0.52702   0.00000  Uiso   1.00
H1995  H     0.74554  -0.45005  -0.55082   0.00000  Uiso   1.00
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H1997  H     0.74682  -0.44639  -0.53466   0.00000  Uiso   1.00
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C2000  C     0.67651  -0.39596  -0.52442   0.00000  Uiso   1.00
C2001  C     0.67896  -0.39003  -0.51764   0.00000  Uiso   1.00
C2002  C     0.68765  -0.38677  -0.51714   0.00000  Uiso   1.00
C2003  C     0.69389  -0.38953  -0.52345   0.00000  Uiso   1.00
C2004  C     0.69149  -0.39548  -0.53022   0.00000  Uiso   1.00
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H2009  H     0.69657  -0.39727  -0.53522   0.00000  Uiso   1.00
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C2011  C     0.63315  -0.35171  -0.56832   0.00000  Uiso   1.00
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C2100  C     0.48955  -0.31171  -0.49270   0.00000  Uiso   1.00
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C2312  C     0.43053  -0.48885  -0.43868   0.00000  Uiso   1.00
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C2565  C     0.43070  -0.62229  -0.46454   0.00000  Uiso   1.00
H2566  H     0.43787  -0.61803  -0.48584   0.00000  Uiso   1.00
H2567  H     0.42433  -0.62603  -0.48944   0.00000  Uiso   1.00
H2568  H     0.41893  -0.62962  -0.46100   0.00000  Uiso   1.00
H2569  H     0.43230  -0.62103  -0.45747   0.00000  Uiso   1.00
C2570  C     0.39971  -0.64672  -0.51492   0.00000  Uiso   1.00
C2571  C     0.39468  -0.65084  -0.50822   0.00000  Uiso   1.00
C2572  C     0.39641  -0.64909  -0.49933   0.00000  Uiso   1.00
C2573  C     0.40339  -0.64307  -0.49696   0.00000  Uiso   1.00
C2574  C     0.40848  -0.63895  -0.50387   0.00000  Uiso   1.00
C2575  C     0.40658  -0.64079  -0.51272   0.00000  Uiso   1.00
H2576  H     0.39236  -0.65239  -0.49418   0.00000  Uiso   1.00
H2577  H     0.41393  -0.63430  -0.50231   0.00000  Uiso   1.00
H2578  H     0.38931  -0.65548  -0.51005   0.00000  Uiso   1.00
H2579  H     0.41048  -0.63761  -0.51805   0.00000  Uiso   1.00
C2580  C     0.41352  -0.63419  -0.47762   0.00000  Uiso   1.00
N2581  N     0.40891  -0.63783  -0.47084   0.00000  Uiso   1.00
C2582  C     0.40231  -0.64341  -0.47338   0.00000  Uiso   1.00
N2583  N     0.40017  -0.64541  -0.48188   0.00000  Uiso   1.00
C2584  C     0.40522  -0.64131  -0.48810   0.00000  Uiso   1.00
N2585  N     0.41200  -0.63566  -0.48636   0.00000  Uiso   1.00
C2586  C     0.38775  -0.65591  -0.45314   0.00000  Uiso   1.00
C2587  C     0.39453  -0.64990  -0.45090   0.00000  Uiso   1.00
C2588  C     0.39937  -0.64567  -0.45754   0.00000  Uiso   1.00
C2589  C     0.39743  -0.64746  -0.46669   0.00000  Uiso   1.00
C2590  C     0.39046  -0.65357  -0.46884   0.00000  Uiso   1.00
C2591  C     0.38575  -0.65772  -0.46207   0.00000  Uiso   1.00
H2592  H     0.40468  -0.64100  -0.45564   0.00000  Uiso   1.00
H2593  H     0.38882  -0.65511  -0.47582   0.00000  Uiso   1.00
H2594  H     0.39601  -0.64856  -0.44384   0.00000  Uiso   1.00
H2595  H     0.38041  -0.66246  -0.46372   0.00000  Uiso   1.00
H2596  H     0.39827  -0.64816  -0.52196   0.00000  Uiso   1.00
H2597  H     0.38397  -0.65923  -0.44781   0.00000  Uiso   1.00
N2598  N     0.44459  -0.61450  -0.46935   0.00000  Uiso   1.00
C2599  C     0.44964  -0.61615  -0.46132   0.00000  Uiso   1.00
C2600  C     0.45512  -0.60942  -0.45764   0.00000  Uiso   1.00
C2601  C     0.46002  -0.61089  -0.44985   0.00000  Uiso   1.00
C2602  C     0.45969  -0.61911  -0.44555   0.00000  Uiso   1.00
C2603  C     0.45439  -0.62587  -0.44910   0.00000  Uiso   1.00
C2604  C     0.44942  -0.62442  -0.45687   0.00000  Uiso   1.00
H2605  H     0.45543  -0.60275  -0.46075   0.00000  Uiso   1.00
H2606  H     0.46414  -0.60551  -0.44705   0.00000  Uiso   1.00
H2607  H     0.46354  -0.62027  -0.43943   0.00000  Uiso   1.00
H2608  H     0.45410  -0.63240  -0.44578   0.00000  Uiso   1.00
H2609  H     0.44554  -0.63004  -0.45957   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      1.413   .     S
C1     N37     1.439   .     S
C1     C6      1.413   .     S
C2     H7      1.102   .     S
C2     C3      1.384   .     S
C3     H8      1.100   .     S
C3     C4      1.420   .     S
C4     C5      1.421   .     S
C4     C21     1.382   .     S
C5     H9      1.100   .     S
C5     C6      1.384   .     S
C6     H10     1.102   .     S
C11    N235    1.446   .     S
C11    C16     1.412   .     S
C11    C12     1.415   .     S
C12    H19     1.104   .     S
C12    C13     1.385   .     S
C13    C14     1.421   .     S
C13    H17     1.100   .     S
C14    C25     1.386   .     S
C14    C15     1.423   .     S
C15    H18     1.101   .     S
C15    C16     1.386   .     S
C16    H20     1.103   .     S
C21    N26     1.348   .     S
C21    N22     1.347   .     S
N22    C23     1.348   .     S
C23    C30     1.385   .     S
C23    N24     1.348   .     S
N24    C25     1.350   .     S
C25    N26     1.348   .     S
C27    N188    1.443   .     S
C27    C32     1.413   .     S
C27    C28     1.412   .     S
C28    C29     1.384   .     S
C28    H35     1.103   .     S
C29    C30     1.422   .     S
C29    H33     1.100   .     S
C30    C31     1.420   .     S
C31    C32     1.385   .     S
C31    H34     1.101   .     S
C32    H36     1.101   .     S
N37    C38     1.436   .     S
N37    C39     1.435   .     S
C38    C44     1.410   .     S
C38    C40     1.412   .     S
C39    C49     1.412   .     S
C39    C45     1.412   .     S
C40    H50     1.103   .     S
C40    C41     1.385   .     S
C41    C42     1.423   .     S
C41    H51     1.100   .     S
C42    C127    1.384   .     S
C42    C43     1.420   .     S
C43    H52     1.100   .     S
C43    C44     1.383   .     S
C44    H53     1.101   .     S
C45    H54     1.103   .     S
C45    C46     1.384   .     S
C46    H55     1.101   .     S
C46    C47     1.422   .     S
C47    C80     1.384   .     S
C47    C48     1.422   .     S
C48    H56     1.099   .     S
C48    C49     1.383   .     S
C49    H57     1.103   .     S
C58    C59     1.415   .     S
C58    C63     1.411   .     S
C58    N84     1.443   .     S
C59    C60     1.386   .     S
C59    H64     1.104   .     S
C60    C61     1.421   .     S
C60    H65     1.102   .     S
C61    C78     1.386   .     S
C61    C62     1.423   .     S
C62    H66     1.099   .     S
C62    C63     1.383   .     S
C63    H67     1.103   .     S
C68    N611    1.452   .     S
C68    C69     1.416   .     S
C68    C73     1.412   .     S
C69    C70     1.385   .     S
C69    H76     1.104   .     S
C70    H74     1.100   .     S
C70    C71     1.421   .     S
C71    C72     1.421   .     S
C71    C82     1.386   .     S
C72    H75     1.100   .     S
C72    C73     1.385   .     S
C73    H77     1.102   .     S
C78    N79     1.349   .     S
C78    N83     1.348   .     S
N79    C80     1.345   .     S
C80    N81     1.347   .     S
N81    C82     1.349   .     S
C82    N83     1.349   .     S
N84    C85     1.440   .     S
N84    C86     1.446   .     S
C85    C87     1.409   .     S
C85    C91     1.415   .     S
C86    C96     1.412   .     S
C86    C92     1.413   .     S
C87    H97     1.103   .     S
C87    C88     1.382   .     S
C88    C89     1.423   .     S
C88    H98     1.099   .     S
C89    C90     1.421   .     S
C89    C362    1.386   .     S
C90    H99     1.100   .     S
C90    C91     1.389   .     S
C91    H100    1.102   .     S
C92    H101    1.104   .     S
C92    C93     1.387   .     S
C93    C94     1.422   .     S
C93    H102    1.101   .     S
C94    C95     1.420   .     S
C94    C315    1.387   .     S
C95    H103    1.098   .     S
C95    C96     1.384   .     S
C96    H104    1.103   .     S
C105   C110    1.416   .     S
C105   C106    1.411   .     S
C105   N131    1.444   .     S
C106   H111    1.102   .     S
C106   C107    1.385   .     S
C107   H112    1.099   .     S
C107   C108    1.423   .     S
C108   C109    1.418   .     S
C108   C125    1.385   .     S
C109   H113    1.100   .     S
C109   C110    1.383   .     S
C110   H114    1.101   .     S
C115   C120    1.411   .     S
C115   C116    1.413   .     S
C115   N564    1.438   .     S
C116   H123    1.103   .     S
C116   C117    1.383   .     S
C117   H121    1.101   .     S
C117   C118    1.421   .     S
C118   C129    1.383   .     S
C118   C119    1.421   .     S
C119   H122    1.099   .     S
C119   C120    1.384   .     S
C120   H124    1.101   .     S
C125   N130    1.345   .     S
C125   N126    1.348   .     S
N126   C127    1.349   .     S
C127   N128    1.347   .     S
N128   C129    1.348   .     S
C129   N130    1.348   .     S
N131   C133    1.437   .     S
N131   C132    1.423   .     S
C132   C134    1.410   .     S
C132   C138    1.408   .     S
C133   C139    1.415   .     S
C133   C143    1.409   .     S
C134   H144    1.105   .     S
C134   C135    1.381   .     S
C135   H145    1.099   .     S
C135   C136    1.421   .     S
C136   C137    1.420   .     S
C136   C503    1.383   .     S
C137   C138    1.384   .     S
C137   H146    1.100   .     S
C138   H147    1.103   .     S
C139   C140    1.383   .     S
C139   H148    1.101   .     S
C140   H149    1.100   .     S
C140   C141    1.416   .     S
C141   C456    1.384   .     S
C141   C142    1.422   .     S
C142   C143    1.384   .     S
C142   H150    1.100   .     S
C143   H151    1.103   .     S
C152   C157    1.415   .     S
C152   N188    1.441   .     S
C152   C153    1.409   .     S
C153   C154    1.383   .     S
C153   H158    1.103   .     S
C154   H159    1.095   .     S
C154   C155    1.418   .     S
C155   C172    1.386   .     S
C155   C156    1.420   .     S
C156   C157    1.386   .     S
C156   H160    1.101   .     S
C157   H161    1.103   .     S
C162   C167    1.409   .     S
C162   N752    1.428   .     S
C162   C163    1.410   .     S
C163   C164    1.384   .     S
C163   H170    1.103   .     S
C164   C165    1.424   .     S
C164   H168    1.101   .     S
C165   C166    1.421   .     S
C165   C176    1.383   .     S
C166   H169    1.099   .     S
C166   C167    1.383   .     S
C167   H171    1.103   .     S
C172   N173    1.349   .     S
C172   N177    1.351   .     S
N173   C174    1.348   .     S
C174   N175    1.346   .     S
C174   C181    1.389   .     S
N175   C176    1.348   .     S
C176   N177    1.349   .     S
C178   N799    1.442   .     S
C178   C179    1.412   .     S
C178   C183    1.412   .     S
C179   H186    1.100   .     S
C179   C180    1.386   .     S
C180   C181    1.419   .     S
C180   H184    1.100   .     S
C181   C182    1.422   .     S
C182   C183    1.388   .     S
C182   H185    1.100   .     S
C183   H187    1.102   .     S
N188   C189    1.440   .     S
C189   C190    1.414   .     S
C189   C194    1.410   .     S
C190   H195    1.104   .     S
C190   C191    1.388   .     S
C191   H196    1.101   .     S
C191   C192    1.422   .     S
C192   C268    1.387   .     S
C192   C193    1.423   .     S
C193   C194    1.381   .     S
C193   H197    1.098   .     S
C194   H198    1.103   .     S
C199   C204    1.412   .     S
C199   N235    1.449   .     S
C199   C200    1.415   .     S
C200   H205    1.102   .     S
C200   C201    1.387   .     S
C201   C202    1.423   .     S
C201   H206    1.101   .     S
C202   C219    1.386   .     S
C202   C203    1.424   .     S
C203   C204    1.385   .     S
C203   H207    1.099   .     S
C204   H208    1.102   .     S
C209   C210    1.409   .     S
C209   N705    1.436   .     S
C209   C214    1.410   .     S
C210   H217    1.102   .     S
C210   C211    1.384   .     S
C211   C212    1.425   .     S
C211   H215    1.101   .     S
C212   C213    1.420   .     S
C212   C223    1.386   .     S
C213   C214    1.386   .     S
C213   H216    1.101   .     S
C214   H218    1.102   .     S
C219   N224    1.354   .     S
C219   N220    1.352   .     S
N220   C221    1.348   .     S
C221   C228    1.385   .     S
C221   N222    1.346   .     S
N222   C223    1.347   .     S
C223   N224    1.350   .     S
C225   C226    1.411   .     S
C225   N658    1.432   .     S
C225   C230    1.408   .     S
C226   C227    1.384   .     S
C226   H233    1.103   .     S
C227   H231    1.100   .     S
C227   C228    1.421   .     S
C228   C229    1.426   .     S
C229   C230    1.385   .     S
C229   H232    1.100   .     S
C230   H234    1.103   .     S
N235   C236    1.446   .     S
C236   C241    1.411   .     S
C236   C237    1.416   .     S
C237   C238    1.386   .     S
C237   H242    1.104   .     S
C238   C239    1.420   .     S
C238   H243    1.101   .     S
C239   C240    1.423   .     S
C239   C409    1.386   .     S
C240   H244    1.100   .     S
C240   C241    1.386   .     S
C241   H245    1.102   .     S
C246   N272    1.442   .     S
C246   C247    1.415   .     S
C246   C251    1.410   .     S
C247   C248    1.385   .     S
C247   H252    1.103   .     S
C248   C249    1.418   .     S
C248   H253    1.100   .     S
C249   C266    1.385   .     S
C249   C250    1.421   .     S
C250   C251    1.384   .     S
C250   H254    1.100   .     S
C251   H255    1.102   .     S
C256   C261    1.414   .     S
C256   C257    1.414   .     S
C256   N2348   1.451   .     S
C257   H264    1.103   .     S
C257   C258    1.388   .     S
C258   H262    1.100   .     S
C258   C259    1.420   .     S
C259   C270    1.385   .     S
C259   C260    1.423   .     S
C260   H263    1.099   .     S
C260   C261    1.384   .     S
C261   H265    1.102   .     S
C266   N271    1.345   .     S
C266   N267    1.346   .     S
N267   C268    1.346   .     S
C268   N269    1.350   .     S
N269   C270    1.350   .     S
C270   N271    1.352   .     S
N272   C274    1.435   .     S
N272   C273    1.427   .     S
C273   C275    1.408   .     S
C273   C279    1.408   .     S
C274   C280    1.413   .     S
C274   C284    1.411   .     S
C275   H285    1.104   .     S
C275   C276    1.384   .     S
C276   H286    1.100   .     S
C276   C277    1.423   .     S
C277   C278    1.423   .     S
C277   C1382   1.385   .     S
C278   H287    1.099   .     S
C278   C279    1.383   .     S
C279   H288    1.103   .     S
C280   H289    1.103   .     S
C280   C281    1.382   .     S
C281   H290    1.100   .     S
C281   C282    1.418   .     S
C282   C1332   1.385   .     S
C282   C283    1.420   .     S
C283   H291    1.099   .     S
C283   C284    1.385   .     S
C284   H292    1.101   .     S
C293   N319    1.447   .     S
C293   C298    1.413   .     S
C293   C294    1.414   .     S
C294   C295    1.385   .     S
C294   H299    1.102   .     S
C295   H300    1.102   .     S
C295   C296    1.422   .     S
C296   C313    1.387   .     S
C296   C297    1.425   .     S
C297   C298    1.388   .     S
C297   H301    1.101   .     S
C298   H302    1.104   .     S
C303   N1848   1.449   .     S
C303   C304    1.413   .     S
C303   C308    1.414   .     S
C304   H311    1.102   .     S
C304   C305    1.384   .     S
C305   C306    1.419   .     S
C305   H309    1.099   .     S
C306   C317    1.388   .     S
C306   C307    1.423   .     S
C307   H310    1.100   .     S
C307   C308    1.386   .     S
C308   H312    1.103   .     S
C313   N314    1.350   .     S
C313   N318    1.353   .     S
N314   C315    1.352   .     S
C315   N316    1.348   .     S
N316   C317    1.349   .     S
C317   N318    1.348   .     S
N319   C321    1.444   .     S
N319   C320    1.439   .     S
C320   C322    1.413   .     S
C320   C326    1.412   .     S
C321   C331    1.411   .     S
C321   C327    1.415   .     S
C322   C323    1.381   .     S
C322   H332    1.103   .     S
C323   C324    1.419   .     S
C323   H333    1.101   .     S
C324   C1632   1.385   .     S
C324   C325    1.423   .     S
C325   C326    1.388   .     S
C325   H334    1.100   .     S
C326   H335    1.103   .     S
C327   C328    1.384   .     S
C327   H336    1.105   .     S
C328   C329    1.420   .     S
C328   H337    1.100   .     S
C329   C330    1.423   .     S
C329   C1582   1.385   .     S
C330   H338    1.100   .     S
C330   C331    1.385   .     S
C331   H339    1.103   .     S
C340   C341    1.417   .     S
C340   N366    1.446   .     S
C340   C345    1.410   .     S
C341   H346    1.104   .     S
C341   C342    1.385   .     S
C342   H347    1.101   .     S
C342   C343    1.418   .     S
C343   C344    1.422   .     S
C343   C360    1.385   .     S
C344   C345    1.384   .     S
C344   H348    1.099   .     S
C345   H349    1.103   .     S
C350   N1798   1.448   .     S
C350   C355    1.411   .     S
C350   C351    1.414   .     S
C351   H358    1.102   .     S
C351   C352    1.388   .     S
C352   C353    1.419   .     S
C352   H356    1.101   .     S
C353   C364    1.386   .     S
C353   C354    1.422   .     S
C354   C355    1.385   .     S
C354   H357    1.100   .     S
C355   H359    1.100   .     S
C360   N365    1.345   .     S
C360   N361    1.343   .     S
N361   C362    1.349   .     S
C362   N363    1.350   .     S
N363   C364    1.352   .     S
C364   N365    1.352   .     S
N366   C368    1.441   .     S
N366   C367    1.444   .     S
C367   C373    1.414   .     S
C367   C369    1.413   .     S
C368   C378    1.413   .     S
C368   C374    1.412   .     S
C369   C370    1.382   .     S
C369   H379    1.104   .     S
C370   C371    1.422   .     S
C370   H380    1.099   .     S
C371   C372    1.422   .     S
C371   C1132   1.387   .     S
C372   C373    1.388   .     S
C372   H381    1.101   .     S
C373   H382    1.103   .     S
C374   H383    1.104   .     S
C374   C375    1.384   .     S
C375   H384    1.100   .     S
C375   C376    1.422   .     S
C376   C1182   1.384   .     S
C376   C377    1.420   .     S
C377   H385    1.100   .     S
C377   C378    1.384   .     S
C378   H386    1.105   .     S
C387   N413    1.446   .     S
C387   C392    1.413   .     S
C387   C388    1.414   .     S
C388   H393    1.102   .     S
C388   C389    1.387   .     S
C389   C390    1.422   .     S
C389   H394    1.101   .     S
C390   C407    1.386   .     S
C390   C391    1.422   .     S
C391   C392    1.383   .     S
C391   H395    1.100   .     S
C392   H396    1.101   .     S
C397   N2248   1.436   .     S
C397   C402    1.412   .     S
C397   C398    1.409   .     S
C398   C399    1.384   .     S
C398   H405    1.103   .     S
C399   C400    1.423   .     S
C399   H403    1.099   .     S
C400   C411    1.385   .     S
C400   C401    1.422   .     S
C401   C402    1.386   .     S
C401   H404    1.099   .     S
C402   H406    1.104   .     S
C407   N412    1.348   .     S
C407   N408    1.353   .     S
N408   C409    1.346   .     S
C409   N410    1.350   .     S
N410   C411    1.348   .     S
C411   N412    1.350   .     S
N413   C415    1.432   .     S
N413   C414    1.427   .     S
C414   C416    1.412   .     S
C414   C420    1.406   .     S
C415   C421    1.415   .     S
C415   C425    1.407   .     S
C416   H426    1.104   .     S
C416   C417    1.385   .     S
C417   H427    1.100   .     S
C417   C418    1.420   .     S
C418   C932    1.386   .     S
C418   C419    1.427   .     S
C419   H428    1.099   .     S
C419   C420    1.381   .     S
C420   H429    1.103   .     S
C421   H430    1.103   .     S
C421   C422    1.386   .     S
C422   C423    1.419   .     S
C422   H431    1.099   .     S
C423   C424    1.426   .     S
C423   C882    1.382   .     S
C424   C425    1.380   .     S
C424   H432    1.099   .     S
C425   H433    1.102   .     S
C434   C439    1.411   .     S
C434   C435    1.415   .     S
C434   N460    1.449   .     S
C435   H440    1.103   .     S
C435   C436    1.386   .     S
C436   C437    1.422   .     S
C436   H441    1.101   .     S
C437   C438    1.426   .     S
C437   C454    1.388   .     S
C438   H442    1.101   .     S
C438   C439    1.386   .     S
C439   H443    1.104   .     S
C444   C449    1.413   .     S
C444   C445    1.412   .     S
C444   N2298   1.442   .     S
C445   C446    1.382   .     S
C445   H452    1.103   .     S
C446   H450    1.100   .     S
C446   C447    1.422   .     S
C447   C448    1.420   .     S
C447   C458    1.386   .     S
C448   H451    1.101   .     S
C448   C449    1.388   .     S
C449   H453    1.103   .     S
C454   N455    1.351   .     S
C454   N459    1.353   .     S
N455   C456    1.346   .     S
C456   N457    1.344   .     S
N457   C458    1.347   .     S
C458   N459    1.350   .     S
N460   C462    1.444   .     S
N460   C461    1.445   .     S
C461   C467    1.413   .     S
C461   C463    1.413   .     S
C462   C472    1.413   .     S
C462   C468    1.414   .     S
C463   H473    1.103   .     S
C463   C464    1.383   .     S
C464   H474    1.101   .     S
C464   C465    1.423   .     S
C465   C1482   1.386   .     S
C465   C466    1.424   .     S
C466   C467    1.388   .     S
C466   H475    1.100   .     S
C467   H476    1.104   .     S
C468   C469    1.384   .     S
C468   H477    1.103   .     S
C469   H478    1.101   .     S
C469   C470    1.422   .     S
C470   C1432   1.385   .     S
C470   C471    1.421   .     S
C471   C472    1.385   .     S
C471   H479    1.100   .     S
C472   H480    1.104   .     S
C481   N507    1.449   .     S
C481   C486    1.411   .     S
C481   C482    1.418   .     S
C482   H487    1.103   .     S
C482   C483    1.387   .     S
C483   C484    1.419   .     S
C483   H488    1.101   .     S
C484   C501    1.385   .     S
C484   C485    1.420   .     S
C485   C486    1.384   .     S
C485   H489    1.099   .     S
C486   H490    1.100   .     S
C491   C496    1.409   .     S
C491   N1748   1.441   .     S
C491   C492    1.413   .     S
C492   C493    1.386   .     S
C492   H499    1.103   .     S
C493   C494    1.420   .     S
C493   H497    1.100   .     S
C494   C505    1.388   .     S
C494   C495    1.424   .     S
C495   H498    1.100   .     S
C495   C496    1.388   .     S
C496   H500    1.101   .     S
C501   N502    1.345   .     S
C501   N506    1.348   .     S
N502   C503    1.344   .     S
C503   N504    1.346   .     S
N504   C505    1.350   .     S
C505   N506    1.349   .     S
N507   C509    1.438   .     S
N507   C508    1.434   .     S
C508   C514    1.411   .     S
C508   C510    1.408   .     S
C509   C519    1.414   .     S
C509   C515    1.413   .     S
C510   C511    1.381   .     S
C510   H520    1.100   .     S
C511   H521    1.100   .     S
C511   C512    1.421   .     S
C512   C513    1.421   .     S
C512   C1232   1.383   .     S
C513   H522    1.099   .     S
C513   C514    1.384   .     S
C514   H523    1.102   .     S
C515   C516    1.384   .     S
C515   H524    1.101   .     S
C516   H525    1.101   .     S
C516   C517    1.420   .     S
C517   C518    1.418   .     S
C517   C1032   1.382   .     S
C518   H526    1.099   .     S
C518   C519    1.382   .     S
C519   H527    1.104   .     S
C528   C529    1.413   .     S
C528   N564    1.448   .     S
C528   C533    1.415   .     S
C529   C530    1.384   .     S
C529   H534    1.101   .     S
C530   H535    1.101   .     S
C530   C531    1.420   .     S
C531   C548    1.384   .     S
C531   C532    1.421   .     S
C532   C533    1.385   .     S
C532   H536    1.101   .     S
C533   H537    1.102   .     S
C538   C543    1.411   .     S
C538   N2548   1.440   .     S
C538   C539    1.411   .     S
C539   H546    1.100   .     S
C539   C540    1.383   .     S
C540   C541    1.421   .     S
C540   H544    1.100   .     S
C541   C552    1.384   .     S
C541   C542    1.422   .     S
C542   C543    1.384   .     S
C542   H545    1.098   .     S
C543   H547    1.102   .     S
C548   N553    1.350   .     S
C548   N549    1.348   .     S
N549   C550    1.345   .     S
C550   N551    1.347   .     S
C550   C557    1.385   .     S
N551   C552    1.347   .     S
C552   N553    1.349   .     S
C554   N2598   1.441   .     S
C554   C555    1.413   .     S
C554   C559    1.412   .     S
C555   H562    1.103   .     S
C555   C556    1.385   .     S
C556   H560    1.100   .     S
C556   C557    1.423   .     S
C557   C558    1.419   .     S
C558   H561    1.100   .     S
C558   C559    1.384   .     S
C559   H563    1.103   .     S
N564   C565    1.438   .     S
C565   C566    1.412   .     S
C565   C570    1.411   .     S
C566   H571    1.101   .     S
C566   C567    1.386   .     S
C567   C568    1.421   .     S
C567   H572    1.100   .     S
C568   C1532   1.383   .     S
C568   C569    1.423   .     S
C569   H573    1.100   .     S
C569   C570    1.380   .     S
C570   H574    1.103   .     S
C575   C580    1.414   .     S
C575   N611    1.453   .     S
C575   C576    1.414   .     S
C576   C577    1.388   .     S
C576   H581    1.102   .     S
C577   H582    1.100   .     S
C577   C578    1.420   .     S
C578   C595    1.386   .     S
C578   C579    1.421   .     S
C579   H583    1.101   .     S
C579   C580    1.383   .     S
C580   H584    1.103   .     S
C585   N1948   1.442   .     S
C585   C590    1.410   .     S
C585   C586    1.413   .     S
C586   H593    1.102   .     S
C586   C587    1.383   .     S
C587   H591    1.100   .     S
C587   C588    1.421   .     S
C588   C599    1.384   .     S
C588   C589    1.424   .     S
C589   H592    1.100   .     S
C589   C590    1.387   .     S
C590   H594    1.103   .     S
C595   N600    1.347   .     S
C595   N596    1.348   .     S
N596   C597    1.345   .     S
C597   N598    1.346   .     S
C597   C604    1.385   .     S
N598   C599    1.352   .     S
C599   N600    1.352   .     S
C601   N1898   1.446   .     S
C601   C606    1.413   .     S
C601   C602    1.412   .     S
C602   C603    1.384   .     S
C602   H609    1.104   .     S
C603   C604    1.422   .     S
C603   H607    1.100   .     S
C604   C605    1.419   .     S
C605   H608    1.100   .     S
C605   C606    1.384   .     S
C606   H610    1.103   .     S
N611   C612    1.445   .     S
C612   C617    1.412   .     S
C612   C613    1.414   .     S
C613   C614    1.386   .     S
C613   H618    1.102   .     S
C614   H619    1.099   .     S
C614   C615    1.419   .     S
C615   C616    1.420   .     S
C615   C1682   1.385   .     S
C616   H620    1.099   .     S
C616   C617    1.382   .     S
C617   H621    1.104   .     S
C622   C623    1.414   .     S
C622   C627    1.413   .     S
C622   N658    1.447   .     S
C623   H628    1.102   .     S
C623   C624    1.388   .     S
C624   C625    1.421   .     S
C624   H629    1.100   .     S
C625   C642    1.386   .     S
C625   C626    1.420   .     S
C626   C627    1.385   .     S
C626   H630    1.101   .     S
C627   H631    1.101   .     S
C632   C633    1.412   .     S
C632   N2048   1.454   .     S
C632   C637    1.416   .     S
C633   H640    1.102   .     S
C633   C634    1.383   .     S
C634   C635    1.421   .     S
C634   H638    1.099   .     S
C635   C646    1.388   .     S
C635   C636    1.423   .     S
C636   C637    1.390   .     S
C636   H639    1.101   .     S
C637   H641    1.103   .     S
C642   N647    1.351   .     S
C642   N643    1.350   .     S
N643   C644    1.348   .     S
C644   C651    1.389   .     S
C644   N645    1.351   .     S
N645   C646    1.354   .     S
C646   N647    1.348   .     S
C648   N1998   1.449   .     S
C648   C653    1.413   .     S
C648   C649    1.412   .     S
C649   H656    1.103   .     S
C649   C650    1.388   .     S
C650   C651    1.425   .     S
C650   H654    1.100   .     S
C651   C652    1.421   .     S
C652   H655    1.100   .     S
C652   C653    1.385   .     S
C653   H657    1.103   .     S
N658   C659    1.437   .     S
C659   C660    1.413   .     S
C659   C664    1.411   .     S
C660   H665    1.102   .     S
C660   C661    1.383   .     S
C661   C662    1.419   .     S
C661   H666    1.101   .     S
C662   C663    1.420   .     S
C662   C832    1.384   .     S
C663   H667    1.099   .     S
C663   C664    1.385   .     S
C664   H668    1.102   .     S
C669   C670    1.411   .     S
C669   N705    1.453   .     S
C669   C674    1.419   .     S
C670   H675    1.101   .     S
C670   C671    1.389   .     S
C671   H676    1.099   .     S
C671   C672    1.425   .     S
C672   C673    1.419   .     S
C672   C689    1.386   .     S
C673   H677    1.101   .     S
C673   C674    1.383   .     S
C674   H678    1.103   .     S
C679   C680    1.412   .     S
C679   N2448   1.442   .     S
C679   C684    1.411   .     S
C680   C681    1.384   .     S
C680   H687    1.102   .     S
C681   H685    1.100   .     S
C681   C682    1.423   .     S
C682   C683    1.422   .     S
C682   C693    1.386   .     S
C683   C684    1.385   .     S
C683   H686    1.100   .     S
C684   H688    1.102   .     S
C689   N690    1.355   .     S
C689   N694    1.349   .     S
N690   C691    1.347   .     S
C691   C698    1.387   .     S
C691   N692    1.350   .     S
N692   C693    1.348   .     S
C693   N694    1.350   .     S
C695   C700    1.409   .     S
C695   N2498   1.437   .     S
C695   C696    1.410   .     S
C696   H703    1.103   .     S
C696   C697    1.388   .     S
C697   H701    1.099   .     S
C697   C698    1.424   .     S
C698   C699    1.423   .     S
C699   H702    1.100   .     S
C699   C700    1.383   .     S
C700   H704    1.101   .     S
N705   C706    1.440   .     S
C706   C711    1.412   .     S
C706   C707    1.412   .     S
C707   C708    1.394   .     S
C707   H712    1.101   .     S
C708   H713    1.101   .     S
C708   C709    1.416   .     S
C709   C710    1.415   .     S
C709   C1082   1.391   .     S
C710   C711    1.380   .     S
C710   H714    1.100   .     S
C711   H715    1.104   .     S
C716   N752    1.443   .     S
C716   C717    1.415   .     S
C716   C721    1.411   .     S
C717   C718    1.385   .     S
C717   H722    1.101   .     S
C718   H723    1.102   .     S
C718   C719    1.421   .     S
C719   C736    1.386   .     S
C719   C720    1.423   .     S
C720   C721    1.385   .     S
C720   H724    1.100   .     S
C721   H725    1.102   .     S
C726   C731    1.413   .     S
C726   C727    1.411   .     S
C726   N2198   1.443   .     S
C727   C728    1.391   .     S
C727   H734    1.102   .     S
C728   C729    1.424   .     S
C728   H732    1.100   .     S
C729   C740    1.394   .     S
C729   C730    1.423   .     S
C730   H733    1.101   .     S
C730   C731    1.387   .     S
C731   H735    1.103   .     S
C736   N737    1.348   .     S
C736   N741    1.348   .     S
N737   C738    1.350   .     S
C738   N739    1.353   .     S
C738   C745    1.391   .     S
N739   C740    1.354   .     S
C740   N741    1.351   .     S
C742   C743    1.411   .     S
C742   N2398   1.452   .     S
C742   C747    1.418   .     S
C743   H750    1.103   .     S
C743   C744    1.386   .     S
C744   C745    1.427   .     S
C744   H748    1.100   .     S
C745   C746    1.420   .     S
C746   H749    1.101   .     S
C746   C747    1.389   .     S
C747   H751    1.102   .     S
N752   C753    1.438   .     S
C753   C754    1.415   .     S
C753   C758    1.408   .     S
C754   C755    1.387   .     S
C754   H759    1.103   .     S
C755   H760    1.100   .     S
C755   C756    1.419   .     S
C756   C757    1.425   .     S
C756   C982    1.386   .     S
C757   H761    1.099   .     S
C757   C758    1.385   .     S
C758   H762    1.103   .     S
C763   C764    1.411   .     S
C763   C768    1.419   .     S
C763   N799    1.453   .     S
C764   C765    1.387   .     S
C764   H769    1.101   .     S
C765   H770    1.100   .     S
C765   C766    1.425   .     S
C766   C767    1.419   .     S
C766   C783    1.386   .     S
C767   H771    1.101   .     S
C767   C768    1.385   .     S
C768   H772    1.103   .     S
C773   C774    1.413   .     S
C773   N2098   1.453   .     S
C773   C778    1.415   .     S
C774   C775    1.386   .     S
C774   H781    1.101   .     S
C775   C776    1.421   .     S
C775   H779    1.100   .     S
C776   C787    1.388   .     S
C776   C777    1.421   .     S
C777   C778    1.386   .     S
C777   H780    1.100   .     S
C778   H782    1.103   .     S
C783   N788    1.350   .     S
C783   N784    1.352   .     S
N784   C785    1.351   .     S
C785   N786    1.352   .     S
C785   C792    1.389   .     S
N786   C787    1.349   .     S
C787   N788    1.350   .     S
C789   N2148   1.452   .     S
C789   C790    1.414   .     S
C789   C794    1.414   .     S
C790   C791    1.388   .     S
C790   H797    1.102   .     S
C791   H795    1.099   .     S
C791   C792    1.424   .     S
C792   C793    1.422   .     S
C793   H796    1.100   .     S
C793   C794    1.385   .     S
C794   H798    1.103   .     S
N799   C800    1.436   .     S
C800   C805    1.413   .     S
C800   C801    1.410   .     S
C801   C802    1.386   .     S
C801   H806    1.102   .     S
C802   H807    1.100   .     S
C802   C803    1.422   .     S
C803   C804    1.421   .     S
C803   C1282   1.384   .     S
C804   C805    1.381   .     S
C804   H808    1.099   .     S
C805   H809    1.104   .     S
C810   N837    1.444   .     S
C810   C815    1.412   .     S
C810   C811    1.413   .     S
C811   C812    1.385   .     S
C811   H816    1.102   .     S
C812   H817    1.099   .     S
C812   C813    1.420   .     S
C813   C830    1.384   .     S
C813   C814    1.421   .     S
C814   C815    1.383   .     S
C814   H818    1.099   .     S
C815   H819    1.104   .     S
C820   H836    1.099   .     S
C820   C821    1.399   .     S
C820   C825    1.401   .     S
C821   H828    1.100   .     S
C821   C822    1.383   .     S
C822   H826    1.099   .     S
C822   C823    1.430   .     S
C823   C824    1.427   .     S
C823   C834    1.382   .     S
C824   H827    1.099   .     S
C824   C825    1.386   .     S
C825   H829    1.099   .     S
C830   N835    1.350   .     S
C830   N831    1.347   .     S
N831   C832    1.344   .     S
C832   N833    1.343   .     S
N833   C834    1.350   .     S
C834   N835    1.349   .     S
N837   C839    1.441   .     S
N837   C838    1.442   .     S
C838   C840    1.411   .     S
C838   C844    1.412   .     S
C839   C849    1.412   .     S
C839   C845    1.410   .     S
C840   H850    1.103   .     S
C840   C841    1.399   .     S
C841   C842    1.394   .     S
C841   H851    1.100   .     S
C842   H852    1.098   .     S
C842   C843    1.394   .     S
C843   C844    1.398   .     S
C843   H853    1.100   .     S
C844   H854    1.103   .     S
C845   C846    1.399   .     S
C845   H855    1.102   .     S
C846   C847    1.394   .     S
C846   H856    1.100   .     S
C847   H857    1.099   .     S
C847   C848    1.393   .     S
C848   C849    1.398   .     S
C848   H858    1.100   .     S
C849   H859    1.104   .     S
C860   C865    1.415   .     S
C860   N887    1.447   .     S
C860   C861    1.412   .     S
C861   H866    1.102   .     S
C861   C862    1.383   .     S
C862   H867    1.099   .     S
C862   C863    1.423   .     S
C863   C880    1.384   .     S
C863   C864    1.422   .     S
C864   C865    1.386   .     S
C864   H868    1.100   .     S
C865   H869    1.103   .     S
C870   C875    1.400   .     S
C870   C871    1.400   .     S
C870   H886    1.100   .     S
C871   H878    1.099   .     S
C871   C872    1.385   .     S
C872   H876    1.100   .     S
C872   C873    1.428   .     S
C873   C884    1.383   .     S
C873   C874    1.426   .     S
C874   H877    1.100   .     S
C874   C875    1.384   .     S
C875   H879    1.099   .     S
C880   N881    1.352   .     S
C880   N885    1.349   .     S
N881   C882    1.349   .     S
C882   N883    1.349   .     S
N883   C884    1.342   .     S
C884   N885    1.348   .     S
N887   C888    1.444   .     S
N887   C889    1.444   .     S
C888   C894    1.411   .     S
C888   C890    1.412   .     S
C889   C899    1.411   .     S
C889   C895    1.413   .     S
C890   C891    1.398   .     S
C890   H900    1.103   .     S
C891   H901    1.101   .     S
C891   C892    1.393   .     S
C892   C893    1.394   .     S
C892   H902    1.099   .     S
C893   H903    1.100   .     S
C893   C894    1.399   .     S
C894   H904    1.103   .     S
C895   H905    1.103   .     S
C895   C896    1.399   .     S
C896   C897    1.393   .     S
C896   H906    1.100   .     S
C897   C898    1.393   .     S
C897   H907    1.099   .     S
C898   C899    1.398   .     S
C898   H908    1.100   .     S
C899   H909    1.102   .     S
C910   N937    1.448   .     S
C910   C911    1.410   .     S
C910   C915    1.414   .     S
C911   C912    1.384   .     S
C911   H916    1.103   .     S
C912   H917    1.099   .     S
C912   C913    1.424   .     S
C913   C914    1.421   .     S
C913   C930    1.387   .     S
C914   C915    1.386   .     S
C914   H918    1.099   .     S
C915   H919    1.101   .     S
C920   C925    1.401   .     S
C920   H936    1.101   .     S
C920   C921    1.399   .     S
C921   H928    1.097   .     S
C921   C922    1.384   .     S
C922   C923    1.426   .     S
C922   H926    1.100   .     S
C923   C934    1.384   .     S
C923   C924    1.426   .     S
C924   H927    1.099   .     S
C924   C925    1.386   .     S
C925   H929    1.100   .     S
C930   N931    1.354   .     S
C930   N935    1.351   .     S
N931   C932    1.352   .     S
C932   N933    1.349   .     S
N933   C934    1.344   .     S
C934   N935    1.346   .     S
N937   C938    1.442   .     S
N937   C939    1.443   .     S
C938   C944    1.411   .     S
C938   C940    1.412   .     S
C939   C949    1.411   .     S
C939   C945    1.411   .     S
C940   H950    1.103   .     S
C940   C941    1.398   .     S
C941   C942    1.395   .     S
C941   H951    1.101   .     S
C942   C943    1.393   .     S
C942   H952    1.099   .     S
C943   H953    1.100   .     S
C943   C944    1.398   .     S
C944   H954    1.102   .     S
C945   C946    1.399   .     S
C945   H955    1.103   .     S
C946   C947    1.393   .     S
C946   H956    1.100   .     S
C947   H957    1.098   .     S
C947   C948    1.394   .     S
C948   C949    1.398   .     S
C948   H958    1.100   .     S
C949   H959    1.103   .     S
C960   N987    1.444   .     S
C960   C965    1.413   .     S
C960   C961    1.412   .     S
C961   C962    1.382   .     S
C961   H966    1.103   .     S
C962   C963    1.422   .     S
C962   H967    1.099   .     S
C963   C980    1.383   .     S
C963   C964    1.421   .     S
C964   C965    1.387   .     S
C964   H968    1.100   .     S
C965   H969    1.103   .     S
C970   C971    1.401   .     S
C970   C975    1.400   .     S
C970   H986    1.099   .     S
C971   H978    1.100   .     S
C971   C972    1.385   .     S
C972   C973    1.428   .     S
C972   H976    1.100   .     S
C973   C974    1.427   .     S
C973   C984    1.383   .     S
C974   H977    1.100   .     S
C974   C975    1.384   .     S
C975   H979    1.099   .     S
C980   N985    1.350   .     S
C980   N981    1.350   .     S
N981   C982    1.350   .     S
C982   N983    1.346   .     S
N983   C984    1.348   .     S
C984   N985    1.347   .     S
N987   C989    1.442   .     S
N987   C988    1.443   .     S
C988   C990    1.412   .     S
C988   C994    1.411   .     S
C989   C995    1.411   .     S
C989   C999    1.411   .     S
C990   H1000   1.103   .     S
C990   C991    1.399   .     S
C991   H1001   1.100   .     S
C991   C992    1.393   .     S
C992   H1002   1.099   .     S
C992   C993    1.393   .     S
C993   H1003   1.100   .     S
C993   C994    1.398   .     S
C994   H1004   1.102   .     S
C995   H1005   1.103   .     S
C995   C996    1.399   .     S
C996   H1006   1.099   .     S
C996   C997    1.393   .     S
C997   C998    1.394   .     S
C997   H1007   1.098   .     S
C998   H1008   1.099   .     S
C998   C999    1.398   .     S
C999   H1009   1.103   .     S
C1010  N1037   1.447   .     S
C1010  C1011   1.412   .     S
C1010  C1015   1.415   .     S
C1011  H1016   1.102   .     S
C1011  C1012   1.384   .     S
C1012  H1017   1.100   .     S
C1012  C1013   1.422   .     S
C1013  C1014   1.421   .     S
C1013  C1030   1.386   .     S
C1014  H1018   1.101   .     S
C1014  C1015   1.386   .     S
C1015  H1019   1.103   .     S
C1020  C1021   1.400   .     S
C1020  H1036   1.099   .     S
C1020  C1025   1.400   .     S
C1021  C1022   1.384   .     S
C1021  H1028   1.100   .     S
C1022  C1023   1.430   .     S
C1022  H1026   1.099   .     S
C1023  C1034   1.383   .     S
C1023  C1024   1.427   .     S
C1024  C1025   1.385   .     S
C1024  H1027   1.099   .     S
C1025  H1029   1.100   .     S
C1030  N1035   1.351   .     S
C1030  N1031   1.348   .     S
N1031  C1032   1.349   .     S
C1032  N1033   1.344   .     S
N1033  C1034   1.350   .     S
C1034  N1035   1.349   .     S
N1037  C1038   1.442   .     S
N1037  C1039   1.443   .     S
C1038  C1044   1.411   .     S
C1038  C1040   1.411   .     S
C1039  C1049   1.411   .     S
C1039  C1045   1.412   .     S
C1040  C1041   1.398   .     S
C1040  H1050   1.103   .     S
C1041  C1042   1.394   .     S
C1041  H1051   1.101   .     S
C1042  H1052   1.100   .     S
C1042  C1043   1.393   .     S
C1043  C1044   1.398   .     S
C1043  H1053   1.099   .     S
C1044  H1054   1.103   .     S
C1045  C1046   1.399   .     S
C1045  H1055   1.102   .     S
C1046  C1047   1.393   .     S
C1046  H1056   1.100   .     S
C1047  C1048   1.393   .     S
C1047  H1057   1.099   .     S
C1048  H1058   1.100   .     S
C1048  C1049   1.399   .     S
C1049  H1059   1.103   .     S
C1060  N1087   1.444   .     S
C1060  C1065   1.414   .     S
C1060  C1061   1.411   .     S
C1061  H1066   1.102   .     S
C1061  C1062   1.384   .     S
C1062  H1067   1.098   .     S
C1062  C1063   1.422   .     S
C1063  C1064   1.420   .     S
C1063  C1080   1.384   .     S
C1064  H1068   1.099   .     S
C1064  C1065   1.388   .     S
C1065  H1069   1.103   .     S
C1070  C1071   1.398   .     S
C1070  C1075   1.401   .     S
C1070  H1086   1.096   .     S
C1071  H1078   1.099   .     S
C1071  C1072   1.385   .     S
C1072  H1076   1.099   .     S
C1072  C1073   1.427   .     S
C1073  C1074   1.423   .     S
C1073  C1084   1.387   .     S
C1074  H1077   1.098   .     S
C1074  C1075   1.388   .     S
C1075  H1079   1.098   .     S
C1080  N1085   1.354   .     S
C1080  N1081   1.354   .     S
N1081  C1082   1.343   .     S
C1082  N1083   1.341   .     S
N1083  C1084   1.344   .     S
C1084  N1085   1.344   .     S
N1087  C1089   1.446   .     S
N1087  C1088   1.443   .     S
C1088  C1094   1.409   .     S
C1088  C1090   1.413   .     S
C1089  C1099   1.411   .     S
C1089  C1095   1.413   .     S
C1090  H1100   1.103   .     S
C1090  C1091   1.400   .     S
C1091  C1092   1.393   .     S
C1091  H1101   1.101   .     S
C1092  H1102   1.101   .     S
C1092  C1093   1.394   .     S
C1093  H1103   1.099   .     S
C1093  C1094   1.399   .     S
C1094  H1104   1.104   .     S
C1095  C1096   1.399   .     S
C1095  H1105   1.103   .     S
C1096  H1106   1.100   .     S
C1096  C1097   1.394   .     S
C1097  H1107   1.100   .     S
C1097  C1098   1.395   .     S
C1098  H1108   1.100   .     S
C1098  C1099   1.398   .     S
C1099  H1109   1.102   .     S
C1110  N1137   1.442   .     S
C1110  C1115   1.414   .     S
C1110  C1111   1.411   .     S
C1111  H1116   1.102   .     S
C1111  C1112   1.383   .     S
C1112  C1113   1.422   .     S
C1112  H1117   1.100   .     S
C1113  C1114   1.420   .     S
C1113  C1130   1.386   .     S
C1114  H1118   1.099   .     S
C1114  C1115   1.386   .     S
C1115  H1119   1.104   .     S
C1120  C1121   1.400   .     S
C1120  C1125   1.401   .     S
C1120  H1136   1.099   .     S
C1121  C1122   1.385   .     S
C1121  H1128   1.100   .     S
C1122  C1123   1.427   .     S
C1122  H1126   1.099   .     S
C1123  C1134   1.383   .     S
C1123  C1124   1.427   .     S
C1124  H1127   1.099   .     S
C1124  C1125   1.385   .     S
C1125  H1129   1.099   .     S
C1130  N1135   1.348   .     S
C1130  N1131   1.352   .     S
N1131  C1132   1.350   .     S
C1132  N1133   1.350   .     S
N1133  C1134   1.345   .     S
C1134  N1135   1.346   .     S
N1137  C1139   1.442   .     S
N1137  C1138   1.444   .     S
C1138  C1144   1.412   .     S
C1138  C1140   1.411   .     S
C1139  C1145   1.411   .     S
C1139  C1149   1.412   .     S
C1140  H1150   1.102   .     S
C1140  C1141   1.399   .     S
C1141  C1142   1.392   .     S
C1141  H1151   1.100   .     S
C1142  H1152   1.099   .     S
C1142  C1143   1.392   .     S
C1143  H1153   1.100   .     S
C1143  C1144   1.399   .     S
C1144  H1154   1.102   .     S
C1145  H1155   1.103   .     S
C1145  C1146   1.398   .     S
C1146  C1147   1.393   .     S
C1146  H1156   1.100   .     S
C1147  C1148   1.393   .     S
C1147  H1157   1.099   .     S
C1148  C1149   1.399   .     S
C1148  H1158   1.099   .     S
C1149  H1159   1.104   .     S
C1160  C1161   1.412   .     S
C1160  N1187   1.441   .     S
C1160  C1165   1.412   .     S
C1161  C1162   1.384   .     S
C1161  H1166   1.102   .     S
C1162  H1167   1.099   .     S
C1162  C1163   1.421   .     S
C1163  C1180   1.384   .     S
C1163  C1164   1.421   .     S
C1164  C1165   1.384   .     S
C1164  H1168   1.098   .     S
C1165  H1169   1.104   .     S
C1170  C1171   1.401   .     S
C1170  C1175   1.400   .     S
C1170  H1186   1.099   .     S
C1171  H1178   1.098   .     S
C1171  C1172   1.384   .     S
C1172  H1176   1.098   .     S
C1172  C1173   1.428   .     S
C1173  C1184   1.383   .     S
C1173  C1174   1.428   .     S
C1174  H1177   1.098   .     S
C1174  C1175   1.384   .     S
C1175  H1179   1.099   .     S
C1180  N1181   1.350   .     S
C1180  N1185   1.348   .     S
N1181  C1182   1.347   .     S
C1182  N1183   1.347   .     S
N1183  C1184   1.348   .     S
C1184  N1185   1.349   .     S
N1187  C1189   1.442   .     S
N1187  C1188   1.443   .     S
C1188  C1190   1.411   .     S
C1188  C1194   1.411   .     S
C1189  C1199   1.411   .     S
C1189  C1195   1.411   .     S
C1190  H1200   1.102   .     S
C1190  C1191   1.400   .     S
C1191  H1201   1.099   .     S
C1191  C1192   1.394   .     S
C1192  C1193   1.392   .     S
C1192  H1202   1.099   .     S
C1193  H1203   1.100   .     S
C1193  C1194   1.398   .     S
C1194  H1204   1.102   .     S
C1195  C1196   1.398   .     S
C1195  H1205   1.102   .     S
C1196  C1197   1.394   .     S
C1196  H1206   1.100   .     S
C1197  H1207   1.099   .     S
C1197  C1198   1.394   .     S
C1198  H1208   1.100   .     S
C1198  C1199   1.399   .     S
C1199  H1209   1.103   .     S
C1210  C1211   1.412   .     S
C1210  C1215   1.416   .     S
C1210  N1237   1.449   .     S
C1211  C1212   1.382   .     S
C1211  H1216   1.103   .     S
C1212  H1217   1.095   .     S
C1212  C1213   1.419   .     S
C1213  C1230   1.386   .     S
C1213  C1214   1.422   .     S
C1214  H1218   1.101   .     S
C1214  C1215   1.388   .     S
C1215  H1219   1.103   .     S
C1220  H1236   1.098   .     S
C1220  C1225   1.400   .     S
C1220  C1221   1.401   .     S
C1221  H1228   1.101   .     S
C1221  C1222   1.384   .     S
C1222  H1226   1.101   .     S
C1222  C1223   1.430   .     S
C1223  C1224   1.425   .     S
C1223  C1234   1.384   .     S
C1224  C1225   1.385   .     S
C1224  H1227   1.096   .     S
C1225  H1229   1.100   .     S
C1230  N1235   1.354   .     S
C1230  N1231   1.350   .     S
N1231  C1232   1.347   .     S
C1232  N1233   1.343   .     S
N1233  C1234   1.345   .     S
C1234  N1235   1.349   .     S
N1237  C1239   1.444   .     S
N1237  C1238   1.447   .     S
C1238  C1244   1.412   .     S
C1238  C1240   1.412   .     S
C1239  C1245   1.411   .     S
C1239  C1249   1.410   .     S
C1240  C1241   1.398   .     S
C1240  H1250   1.102   .     S
C1241  H1251   1.098   .     S
C1241  C1242   1.392   .     S
C1242  H1252   1.099   .     S
C1242  C1243   1.393   .     S
C1243  H1253   1.100   .     S
C1243  C1244   1.399   .     S
C1244  H1254   1.101   .     S
C1245  H1255   1.102   .     S
C1245  C1246   1.399   .     S
C1246  H1256   1.100   .     S
C1246  C1247   1.394   .     S
C1247  C1248   1.394   .     S
C1247  H1257   1.098   .     S
C1248  H1258   1.101   .     S
C1248  C1249   1.398   .     S
C1249  H1259   1.101   .     S
C1260  N1287   1.446   .     S
C1260  C1265   1.415   .     S
C1260  C1261   1.411   .     S
C1261  H1266   1.102   .     S
C1261  C1262   1.382   .     S
C1262  C1263   1.422   .     S
C1262  H1267   1.100   .     S
C1263  C1280   1.384   .     S
C1263  C1264   1.421   .     S
C1264  C1265   1.386   .     S
C1264  H1268   1.100   .     S
C1265  H1269   1.102   .     S
C1270  H1286   1.099   .     S
C1270  C1271   1.400   .     S
C1270  C1275   1.401   .     S
C1271  H1278   1.099   .     S
C1271  C1272   1.385   .     S
C1272  C1273   1.426   .     S
C1272  H1276   1.099   .     S
C1273  C1274   1.427   .     S
C1273  C1284   1.383   .     S
C1274  C1275   1.384   .     S
C1274  H1277   1.099   .     S
C1275  H1279   1.098   .     S
C1280  N1285   1.349   .     S
C1280  N1281   1.349   .     S
N1281  C1282   1.349   .     S
C1282  N1283   1.348   .     S
N1283  C1284   1.345   .     S
C1284  N1285   1.348   .     S
N1287  C1289   1.444   .     S
N1287  C1288   1.442   .     S
C1288  C1294   1.409   .     S
C1288  C1290   1.412   .     S
C1289  C1299   1.410   .     S
C1289  C1295   1.413   .     S
C1290  H1300   1.103   .     S
C1290  C1291   1.399   .     S
C1291  C1292   1.394   .     S
C1291  H1301   1.100   .     S
C1292  C1293   1.394   .     S
C1292  H1302   1.098   .     S
C1293  H1303   1.100   .     S
C1293  C1294   1.398   .     S
C1294  H1304   1.103   .     S
C1295  H1305   1.103   .     S
C1295  C1296   1.397   .     S
C1296  C1297   1.393   .     S
C1296  H1306   1.100   .     S
C1297  H1307   1.099   .     S
C1297  C1298   1.394   .     S
C1298  H1308   1.099   .     S
C1298  C1299   1.398   .     S
C1299  H1309   1.102   .     S
C1310  N1337   1.444   .     S
C1310  C1315   1.412   .     S
C1310  C1311   1.414   .     S
C1311  C1312   1.385   .     S
C1311  H1316   1.103   .     S
C1312  H1317   1.100   .     S
C1312  C1313   1.419   .     S
C1313  C1330   1.386   .     S
C1313  C1314   1.420   .     S
C1314  H1318   1.099   .     S
C1314  C1315   1.384   .     S
C1315  H1319   1.103   .     S
C1320  C1325   1.400   .     S
C1320  C1321   1.399   .     S
C1320  H1336   1.099   .     S
C1321  H1328   1.098   .     S
C1321  C1322   1.385   .     S
C1322  C1323   1.429   .     S
C1322  H1326   1.098   .     S
C1323  C1334   1.382   .     S
C1323  C1324   1.427   .     S
C1324  H1327   1.100   .     S
C1324  C1325   1.384   .     S
C1325  H1329   1.099   .     S
C1330  N1331   1.348   .     S
C1330  N1335   1.345   .     S
N1331  C1332   1.345   .     S
C1332  N1333   1.342   .     S
N1333  C1334   1.348   .     S
C1334  N1335   1.351   .     S
N1337  C1338   1.444   .     S
N1337  C1339   1.442   .     S
C1338  C1340   1.411   .     S
C1338  C1344   1.410   .     S
C1339  C1349   1.411   .     S
C1339  C1345   1.412   .     S
C1340  H1350   1.103   .     S
C1340  C1341   1.399   .     S
C1341  C1342   1.392   .     S
C1341  H1351   1.100   .     S
C1342  C1343   1.395   .     S
C1342  H1352   1.100   .     S
C1343  H1353   1.099   .     S
C1343  C1344   1.398   .     S
C1344  H1354   1.103   .     S
C1345  H1355   1.103   .     S
C1345  C1346   1.399   .     S
C1346  H1356   1.100   .     S
C1346  C1347   1.393   .     S
C1347  H1357   1.099   .     S
C1347  C1348   1.394   .     S
C1348  H1358   1.100   .     S
C1348  C1349   1.398   .     S
C1349  H1359   1.102   .     S
C1360  C1361   1.413   .     S
C1360  N1387   1.444   .     S
C1360  C1365   1.413   .     S
C1361  C1362   1.383   .     S
C1361  H1366   1.102   .     S
C1362  H1367   1.099   .     S
C1362  C1363   1.419   .     S
C1363  C1364   1.421   .     S
C1363  C1380   1.385   .     S
C1364  C1365   1.387   .     S
C1364  H1368   1.099   .     S
C1365  H1369   1.104   .     S
C1370  C1371   1.400   .     S
C1370  H1386   1.098   .     S
C1370  C1375   1.400   .     S
C1371  C1372   1.385   .     S
C1371  H1378   1.098   .     S
C1372  C1373   1.429   .     S
C1372  H1376   1.101   .     S
C1373  C1384   1.383   .     S
C1373  C1374   1.427   .     S
C1374  H1377   1.099   .     S
C1374  C1375   1.384   .     S
C1375  H1379   1.098   .     S
C1380  N1385   1.347   .     S
C1380  N1381   1.348   .     S
N1381  C1382   1.350   .     S
C1382  N1383   1.346   .     S
N1383  C1384   1.351   .     S
C1384  N1385   1.349   .     S
N1387  C1388   1.442   .     S
N1387  C1389   1.444   .     S
C1388  C1394   1.411   .     S
C1388  C1390   1.412   .     S
C1389  C1395   1.411   .     S
C1389  C1399   1.411   .     S
C1390  H1400   1.102   .     S
C1390  C1391   1.399   .     S
C1391  C1392   1.394   .     S
C1391  H1401   1.100   .     S
C1392  H1402   1.099   .     S
C1392  C1393   1.393   .     S
C1393  H1403   1.099   .     S
C1393  C1394   1.399   .     S
C1394  H1404   1.103   .     S
C1395  C1396   1.398   .     S
C1395  H1405   1.102   .     S
C1396  H1406   1.100   .     S
C1396  C1397   1.394   .     S
C1397  C1398   1.394   .     S
C1397  H1407   1.099   .     S
C1398  H1408   1.100   .     S
C1398  C1399   1.398   .     S
C1399  H1409   1.103   .     S
C1410  C1411   1.412   .     S
C1410  C1415   1.414   .     S
C1410  N1437   1.444   .     S
C1411  C1412   1.383   .     S
C1411  H1416   1.102   .     S
C1412  C1413   1.421   .     S
C1412  H1417   1.099   .     S
C1413  C1414   1.421   .     S
C1413  C1430   1.384   .     S
C1414  C1415   1.385   .     S
C1414  H1418   1.099   .     S
C1415  H1419   1.104   .     S
C1420  C1425   1.400   .     S
C1420  H1436   1.099   .     S
C1420  C1421   1.400   .     S
C1421  H1428   1.100   .     S
C1421  C1422   1.384   .     S
C1422  C1423   1.426   .     S
C1422  H1426   1.099   .     S
C1423  C1424   1.427   .     S
C1423  C1434   1.384   .     S
C1424  H1427   1.099   .     S
C1424  C1425   1.385   .     S
C1425  H1429   1.099   .     S
C1430  N1431   1.348   .     S
C1430  N1435   1.349   .     S
N1431  C1432   1.350   .     S
C1432  N1433   1.348   .     S
N1433  C1434   1.347   .     S
C1434  N1435   1.347   .     S
N1437  C1439   1.443   .     S
N1437  C1438   1.444   .     S
C1438  C1444   1.411   .     S
C1438  C1440   1.412   .     S
C1439  C1445   1.412   .     S
C1439  C1449   1.412   .     S
C1440  H1450   1.102   .     S
C1440  C1441   1.399   .     S
C1441  H1451   1.099   .     S
C1441  C1442   1.395   .     S
C1442  H1452   1.100   .     S
C1442  C1443   1.393   .     S
C1443  C1444   1.398   .     S
C1443  H1453   1.100   .     S
C1444  H1454   1.103   .     S
C1445  H1455   1.103   .     S
C1445  C1446   1.399   .     S
C1446  H1456   1.100   .     S
C1446  C1447   1.394   .     S
C1447  H1457   1.099   .     S
C1447  C1448   1.393   .     S
C1448  H1458   1.100   .     S
C1448  C1449   1.398   .     S
C1449  H1459   1.102   .     S
C1460  N1487   1.444   .     S
C1460  C1461   1.411   .     S
C1460  C1465   1.414   .     S
C1461  H1466   1.103   .     S
C1461  C1462   1.381   .     S
C1462  H1467   1.100   .     S
C1462  C1463   1.422   .     S
C1463  C1464   1.420   .     S
C1463  C1480   1.384   .     S
C1464  H1468   1.099   .     S
C1464  C1465   1.386   .     S
C1465  H1469   1.104   .     S
C1470  C1471   1.401   .     S
C1470  C1475   1.401   .     S
C1470  H1486   1.099   .     S
C1471  H1478   1.099   .     S
C1471  C1472   1.385   .     S
C1472  H1476   1.099   .     S
C1472  C1473   1.427   .     S
C1473  C1474   1.427   .     S
C1473  C1484   1.383   .     S
C1474  H1477   1.099   .     S
C1474  C1475   1.384   .     S
C1475  H1479   1.099   .     S
C1480  N1485   1.349   .     S
C1480  N1481   1.351   .     S
N1481  C1482   1.351   .     S
C1482  N1483   1.351   .     S
N1483  C1484   1.346   .     S
C1484  N1485   1.346   .     S
N1487  C1489   1.444   .     S
N1487  C1488   1.442   .     S
C1488  C1494   1.410   .     S
C1488  C1490   1.411   .     S
C1489  C1499   1.411   .     S
C1489  C1495   1.412   .     S
C1490  C1491   1.399   .     S
C1490  H1500   1.103   .     S
C1491  C1492   1.394   .     S
C1491  H1501   1.100   .     S
C1492  C1493   1.394   .     S
C1492  H1502   1.099   .     S
C1493  H1503   1.099   .     S
C1493  C1494   1.399   .     S
C1494  H1504   1.102   .     S
C1495  H1505   1.103   .     S
C1495  C1496   1.398   .     S
C1496  H1506   1.100   .     S
C1496  C1497   1.394   .     S
C1497  H1507   1.100   .     S
C1497  C1498   1.393   .     S
C1498  H1508   1.100   .     S
C1498  C1499   1.398   .     S
C1499  H1509   1.103   .     S
C1510  C1515   1.415   .     S
C1510  N1537   1.447   .     S
C1510  C1511   1.411   .     S
C1511  C1512   1.383   .     S
C1511  H1516   1.102   .     S
C1512  C1513   1.422   .     S
C1512  H1517   1.099   .     S
C1513  C1530   1.387   .     S
C1513  C1514   1.421   .     S
C1514  H1518   1.100   .     S
C1514  C1515   1.387   .     S
C1515  H1519   1.104   .     S
C1520  C1525   1.401   .     S
C1520  C1521   1.401   .     S
C1520  H1536   1.100   .     S
C1521  H1528   1.100   .     S
C1521  C1522   1.385   .     S
C1522  H1526   1.101   .     S
C1522  C1523   1.428   .     S
C1523  C1524   1.426   .     S
C1523  C1534   1.385   .     S
C1524  H1527   1.100   .     S
C1524  C1525   1.384   .     S
C1525  H1529   1.099   .     S
C1530  N1531   1.349   .     S
C1530  N1535   1.354   .     S
N1531  C1532   1.351   .     S
C1532  N1533   1.347   .     S
N1533  C1534   1.346   .     S
C1534  N1535   1.347   .     S
N1537  C1538   1.442   .     S
N1537  C1539   1.445   .     S
C1538  C1540   1.412   .     S
C1538  C1544   1.411   .     S
C1539  C1549   1.412   .     S
C1539  C1545   1.413   .     S
C1540  H1550   1.104   .     S
C1540  C1541   1.398   .     S
C1541  H1551   1.101   .     S
C1541  C1542   1.393   .     S
C1542  H1552   1.100   .     S
C1542  C1543   1.394   .     S
C1543  C1544   1.398   .     S
C1543  H1553   1.100   .     S
C1544  H1554   1.102   .     S
C1545  C1546   1.397   .     S
C1545  H1555   1.104   .     S
C1546  H1556   1.100   .     S
C1546  C1547   1.393   .     S
C1547  H1557   1.100   .     S
C1547  C1548   1.394   .     S
C1548  C1549   1.399   .     S
C1548  H1558   1.100   .     S
C1549  H1559   1.102   .     S
C1560  C1565   1.413   .     S
C1560  C1561   1.414   .     S
C1560  N1587   1.446   .     S
C1561  C1562   1.384   .     S
C1561  H1566   1.102   .     S
C1562  H1567   1.100   .     S
C1562  C1563   1.422   .     S
C1563  C1564   1.421   .     S
C1563  C1580   1.384   .     S
C1564  H1568   1.099   .     S
C1564  C1565   1.385   .     S
C1565  H1569   1.103   .     S
C1570  H1586   1.100   .     S
C1570  C1575   1.401   .     S
C1570  C1571   1.399   .     S
C1571  C1572   1.383   .     S
C1571  H1578   1.098   .     S
C1572  H1576   1.099   .     S
C1572  C1573   1.428   .     S
C1573  C1574   1.428   .     S
C1573  C1584   1.383   .     S
C1574  C1575   1.385   .     S
C1574  H1577   1.099   .     S
C1575  H1579   1.099   .     S
C1580  N1585   1.348   .     S
C1580  N1581   1.351   .     S
N1581  C1582   1.349   .     S
C1582  N1583   1.346   .     S
N1583  C1584   1.348   .     S
C1584  N1585   1.349   .     S
N1587  C1588   1.442   .     S
N1587  C1589   1.443   .     S
C1588  C1590   1.411   .     S
C1588  C1594   1.410   .     S
C1589  C1599   1.411   .     S
C1589  C1595   1.412   .     S
C1590  C1591   1.399   .     S
C1590  H1600   1.103   .     S
C1591  H1601   1.100   .     S
C1591  C1592   1.394   .     S
C1592  C1593   1.393   .     S
C1592  H1602   1.099   .     S
C1593  C1594   1.399   .     S
C1593  H1603   1.100   .     S
C1594  H1604   1.102   .     S
C1595  H1605   1.103   .     S
C1595  C1596   1.398   .     S
C1596  H1606   1.100   .     S
C1596  C1597   1.394   .     S
C1597  C1598   1.393   .     S
C1597  H1607   1.099   .     S
C1598  H1608   1.100   .     S
C1598  C1599   1.398   .     S
C1599  H1609   1.103   .     S
C1610  C1611   1.413   .     S
C1610  C1615   1.410   .     S
C1610  N1637   1.443   .     S
C1611  H1616   1.101   .     S
C1611  C1612   1.385   .     S
C1612  C1613   1.421   .     S
C1612  H1617   1.100   .     S
C1613  C1614   1.422   .     S
C1613  C1630   1.382   .     S
C1614  H1618   1.100   .     S
C1614  C1615   1.381   .     S
C1615  H1619   1.102   .     S
C1620  C1625   1.401   .     S
C1620  C1621   1.400   .     S
C1620  H1636   1.099   .     S
C1621  H1628   1.098   .     S
C1621  C1622   1.385   .     S
C1622  H1626   1.099   .     S
C1622  C1623   1.428   .     S
C1623  C1634   1.381   .     S
C1623  C1624   1.428   .     S
C1624  H1627   1.099   .     S
C1624  C1625   1.384   .     S
C1625  H1629   1.099   .     S
C1630  N1631   1.347   .     S
C1630  N1635   1.346   .     S
N1631  C1632   1.348   .     S
C1632  N1633   1.344   .     S
N1633  C1634   1.352   .     S
C1634  N1635   1.352   .     S
N1637  C1638   1.446   .     S
N1637  C1639   1.440   .     S
C1638  C1644   1.412   .     S
C1638  C1640   1.412   .     S
C1639  C1645   1.411   .     S
C1639  C1649   1.412   .     S
C1640  C1641   1.399   .     S
C1640  H1650   1.102   .     S
C1641  H1651   1.100   .     S
C1641  C1642   1.393   .     S
C1642  H1652   1.099   .     S
C1642  C1643   1.392   .     S
C1643  C1644   1.399   .     S
C1643  H1653   1.099   .     S
C1644  H1654   1.104   .     S
C1645  H1655   1.102   .     S
C1645  C1646   1.398   .     S
C1646  C1647   1.394   .     S
C1646  H1656   1.100   .     S
C1647  C1648   1.393   .     S
C1647  H1657   1.099   .     S
C1648  H1658   1.099   .     S
C1648  C1649   1.398   .     S
C1649  H1659   1.104   .     S
C1660  C1661   1.412   .     S
C1660  C1665   1.412   .     S
C1660  N1687   1.440   .     S
C1661  C1662   1.384   .     S
C1661  H1666   1.102   .     S
C1662  H1667   1.100   .     S
C1662  C1663   1.420   .     S
C1663  C1664   1.422   .     S
C1663  C1680   1.383   .     S
C1664  H1668   1.099   .     S
C1664  C1665   1.383   .     S
C1665  H1669   1.105   .     S
C1670  H1686   1.098   .     S
C1670  C1675   1.401   .     S
C1670  C1671   1.400   .     S
C1671  H1678   1.100   .     S
C1671  C1672   1.384   .     S
C1672  H1676   1.099   .     S
C1672  C1673   1.428   .     S
C1673  C1674   1.428   .     S
C1673  C1684   1.382   .     S
C1674  C1675   1.384   .     S
C1674  H1677   1.100   .     S
C1675  H1679   1.100   .     S
C1680  N1685   1.349   .     S
C1680  N1681   1.347   .     S
N1681  C1682   1.347   .     S
C1682  N1683   1.344   .     S
N1683  C1684   1.352   .     S
C1684  N1685   1.350   .     S
N1687  C1688   1.442   .     S
N1687  C1689   1.441   .     S
C1688  C1690   1.411   .     S
C1688  C1694   1.412   .     S
C1689  C1699   1.411   .     S
C1689  C1695   1.411   .     S
C1690  C1691   1.398   .     S
C1690  H1700   1.102   .     S
C1691  H1701   1.100   .     S
C1691  C1692   1.394   .     S
C1692  C1693   1.393   .     S
C1692  H1702   1.099   .     S
C1693  C1694   1.398   .     S
C1693  H1703   1.101   .     S
C1694  H1704   1.104   .     S
C1695  H1705   1.103   .     S
C1695  C1696   1.398   .     S
C1696  H1706   1.100   .     S
C1696  C1697   1.394   .     S
C1697  C1698   1.394   .     S
C1697  H1707   1.099   .     S
C1698  H1708   1.100   .     S
C1698  C1699   1.398   .     S
C1699  H1709   1.104   .     S
C1710  C1711   1.412   .     S
C1710  N1748   1.440   .     S
C1710  C1715   1.415   .     S
C1711  C1712   1.387   .     S
C1711  H1716   1.103   .     S
C1712  H1717   1.100   .     S
C1712  C1713   1.423   .     S
C1713  C1714   1.419   .     S
C1713  C1730   1.385   .     S
C1714  C1715   1.383   .     S
C1714  H1718   1.101   .     S
C1715  H1719   1.102   .     S
C1720  C1721   1.400   .     S
C1720  C1725   1.400   .     S
C1720  H1746   1.100   .     S
C1721  H1728   1.099   .     S
C1721  C1722   1.384   .     S
C1722  C1723   1.428   .     S
C1722  H1726   1.100   .     S
C1723  C1734   1.384   .     S
C1723  C1724   1.429   .     S
C1724  H1727   1.098   .     S
C1724  C1725   1.386   .     S
C1725  H1729   1.100   .     S
C1730  N1735   1.347   .     S
C1730  N1731   1.347   .     S
N1731  C1732   1.350   .     S
C1732  N1733   1.350   .     S
C1732  C1739   1.382   .     S
N1733  C1734   1.350   .     S
C1734  N1735   1.351   .     S
C1736  C1741   1.400   .     S
C1736  C1737   1.401   .     S
C1736  H1747   1.099   .     S
C1737  H1744   1.100   .     S
C1737  C1738   1.384   .     S
C1738  H1742   1.100   .     S
C1738  C1739   1.428   .     S
C1739  C1740   1.428   .     S
C1740  H1743   1.099   .     S
C1740  C1741   1.385   .     S
C1741  H1745   1.099   .     S
N1748  C1749   1.444   .     S
C1749  C1750   1.414   .     S
C1749  C1754   1.410   .     S
C1750  H1755   1.103   .     S
C1750  C1751   1.399   .     S
C1751  H1756   1.101   .     S
C1751  C1752   1.392   .     S
C1752  H1757   1.098   .     S
C1752  C1753   1.393   .     S
C1753  C1754   1.398   .     S
C1753  H1758   1.100   .     S
C1754  H1759   1.103   .     S
C1760  N1798   1.444   .     S
C1760  C1765   1.414   .     S
C1760  C1761   1.413   .     S
C1761  C1762   1.385   .     S
C1761  H1766   1.102   .     S
C1762  H1767   1.100   .     S
C1762  C1763   1.421   .     S
C1763  C1764   1.421   .     S
C1763  C1780   1.385   .     S
C1764  H1768   1.100   .     S
C1764  C1765   1.384   .     S
C1765  H1769   1.103   .     S
C1770  C1771   1.400   .     S
C1770  H1796   1.100   .     S
C1770  C1775   1.398   .     S
C1771  C1772   1.385   .     S
C1771  H1778   1.098   .     S
C1772  H1776   1.100   .     S
C1772  C1773   1.428   .     S
C1773  C1774   1.427   .     S
C1773  C1784   1.384   .     S
C1774  C1775   1.386   .     S
C1774  H1777   1.099   .     S
C1775  H1779   1.099   .     S
C1780  N1781   1.350   .     S
C1780  N1785   1.347   .     S
N1781  C1782   1.348   .     S
C1782  N1783   1.350   .     S
C1782  C1789   1.383   .     S
N1783  C1784   1.350   .     S
C1784  N1785   1.352   .     S
C1786  C1787   1.400   .     S
C1786  C1791   1.400   .     S
C1786  H1797   1.100   .     S
C1787  C1788   1.385   .     S
C1787  H1794   1.100   .     S
C1788  C1789   1.429   .     S
C1788  H1792   1.098   .     S
C1789  C1790   1.428   .     S
C1790  H1793   1.100   .     S
C1790  C1791   1.383   .     S
C1791  H1795   1.098   .     S
N1798  C1799   1.440   .     S
C1799  C1804   1.410   .     S
C1799  C1800   1.411   .     S
C1800  H1805   1.104   .     S
C1800  C1801   1.398   .     S
C1801  H1806   1.100   .     S
C1801  C1802   1.393   .     S
C1802  C1803   1.393   .     S
C1802  H1807   1.099   .     S
C1803  C1804   1.398   .     S
C1803  H1808   1.099   .     S
C1804  H1809   1.102   .     S
C1810  C1811   1.414   .     S
C1810  C1815   1.413   .     S
C1810  N1848   1.442   .     S
C1811  C1812   1.383   .     S
C1811  H1816   1.104   .     S
C1812  H1817   1.100   .     S
C1812  C1813   1.421   .     S
C1813  C1830   1.383   .     S
C1813  C1814   1.421   .     S
C1814  H1818   1.100   .     S
C1814  C1815   1.385   .     S
C1815  H1819   1.103   .     S
C1820  C1825   1.401   .     S
C1820  H1846   1.099   .     S
C1820  C1821   1.400   .     S
C1821  H1828   1.099   .     S
C1821  C1822   1.385   .     S
C1822  C1823   1.427   .     S
C1822  H1826   1.099   .     S
C1823  C1834   1.383   .     S
C1823  C1824   1.429   .     S
C1824  H1827   1.100   .     S
C1824  C1825   1.384   .     S
C1825  H1829   1.102   .     S
C1830  N1831   1.347   .     S
C1830  N1835   1.348   .     S
N1831  C1832   1.351   .     S
C1832  C1839   1.383   .     S
C1832  N1833   1.351   .     S
N1833  C1834   1.349   .     S
C1834  N1835   1.349   .     S
C1836  H1847   1.099   .     S
C1836  C1841   1.401   .     S
C1836  C1837   1.400   .     S
C1837  C1838   1.384   .     S
C1837  H1844   1.100   .     S
C1838  C1839   1.429   .     S
C1838  H1842   1.099   .     S
C1839  C1840   1.428   .     S
C1840  C1841   1.385   .     S
C1840  H1843   1.099   .     S
C1841  H1845   1.099   .     S
N1848  C1849   1.446   .     S
C1849  C1854   1.411   .     S
C1849  C1850   1.413   .     S
C1850  H1855   1.102   .     S
C1850  C1851   1.399   .     S
C1851  H1856   1.100   .     S
C1851  C1852   1.393   .     S
C1852  C1853   1.394   .     S
C1852  H1857   1.099   .     S
C1853  H1858   1.101   .     S
C1853  C1854   1.399   .     S
C1854  H1859   1.103   .     S
C1860  N1898   1.441   .     S
C1860  C1861   1.414   .     S
C1860  C1865   1.412   .     S
C1861  H1866   1.104   .     S
C1861  C1862   1.383   .     S
C1862  C1863   1.420   .     S
C1862  H1867   1.099   .     S
C1863  C1864   1.422   .     S
C1863  C1880   1.384   .     S
C1864  C1865   1.384   .     S
C1864  H1868   1.100   .     S
C1865  H1869   1.104   .     S
C1870  C1871   1.400   .     S
C1870  C1875   1.401   .     S
C1870  H1896   1.099   .     S
C1871  C1872   1.384   .     S
C1871  H1878   1.099   .     S
C1872  H1876   1.099   .     S
C1872  C1873   1.427   .     S
C1873  C1874   1.429   .     S
C1873  C1884   1.382   .     S
C1874  H1877   1.099   .     S
C1874  C1875   1.384   .     S
C1875  H1879   1.101   .     S
C1880  N1885   1.350   .     S
C1880  N1881   1.348   .     S
N1881  C1882   1.349   .     S
C1882  N1883   1.348   .     S
C1882  C1889   1.384   .     S
N1883  C1884   1.351   .     S
C1884  N1885   1.351   .     S
C1886  C1891   1.400   .     S
C1886  C1887   1.400   .     S
C1886  H1897   1.100   .     S
C1887  H1894   1.100   .     S
C1887  C1888   1.385   .     S
C1888  C1889   1.429   .     S
C1888  H1892   1.099   .     S
C1889  C1890   1.428   .     S
C1890  H1893   1.099   .     S
C1890  C1891   1.385   .     S
C1891  H1895   1.098   .     S
N1898  C1899   1.443   .     S
C1899  C1904   1.411   .     S
C1899  C1900   1.412   .     S
C1900  H1905   1.104   .     S
C1900  C1901   1.399   .     S
C1901  H1906   1.100   .     S
C1901  C1902   1.393   .     S
C1902  H1907   1.099   .     S
C1902  C1903   1.394   .     S
C1903  H1908   1.100   .     S
C1903  C1904   1.399   .     S
C1904  H1909   1.102   .     S
C1910  C1911   1.416   .     S
C1910  C1915   1.412   .     S
C1910  N1948   1.443   .     S
C1911  H1916   1.104   .     S
C1911  C1912   1.380   .     S
C1912  C1913   1.417   .     S
C1912  H1917   1.099   .     S
C1913  C1914   1.421   .     S
C1913  C1930   1.384   .     S
C1914  H1918   1.100   .     S
C1914  C1915   1.386   .     S
C1915  H1919   1.103   .     S
C1920  C1921   1.402   .     S
C1920  C1925   1.400   .     S
C1920  H1946   1.100   .     S
C1921  C1922   1.384   .     S
C1921  H1928   1.099   .     S
C1922  H1926   1.099   .     S
C1922  C1923   1.427   .     S
C1923  C1924   1.428   .     S
C1923  C1934   1.383   .     S
C1924  C1925   1.385   .     S
C1924  H1927   1.099   .     S
C1925  H1929   1.099   .     S
C1930  N1931   1.346   .     S
C1930  N1935   1.348   .     S
N1931  C1932   1.352   .     S
C1932  N1933   1.350   .     S
C1932  C1939   1.381   .     S
N1933  C1934   1.348   .     S
C1934  N1935   1.349   .     S
C1936  C1937   1.399   .     S
C1936  C1941   1.401   .     S
C1936  H1947   1.099   .     S
C1937  C1938   1.385   .     S
C1937  H1944   1.099   .     S
C1938  H1942   1.099   .     S
C1938  C1939   1.428   .     S
C1939  C1940   1.428   .     S
C1940  H1943   1.100   .     S
C1940  C1941   1.384   .     S
C1941  H1945   1.099   .     S
N1948  C1949   1.445   .     S
C1949  C1954   1.411   .     S
C1949  C1950   1.413   .     S
C1950  H1955   1.103   .     S
C1950  C1951   1.400   .     S
C1951  H1956   1.101   .     S
C1951  C1952   1.393   .     S
C1952  H1957   1.100   .     S
C1952  C1953   1.393   .     S
C1953  H1958   1.100   .     S
C1953  C1954   1.400   .     S
C1954  H1959   1.102   .     S
C1960  C1965   1.415   .     S
C1960  N1998   1.443   .     S
C1960  C1961   1.411   .     S
C1961  H1966   1.104   .     S
C1961  C1962   1.385   .     S
C1962  C1963   1.422   .     S
C1962  H1967   1.100   .     S
C1963  C1980   1.385   .     S
C1963  C1964   1.421   .     S
C1964  H1968   1.101   .     S
C1964  C1965   1.386   .     S
C1965  H1969   1.103   .     S
C1970  C1975   1.400   .     S
C1970  C1971   1.401   .     S
C1970  H1996   1.100   .     S
C1971  H1978   1.099   .     S
C1971  C1972   1.385   .     S
C1972  C1973   1.428   .     S
C1972  H1976   1.099   .     S
C1973  C1974   1.428   .     S
C1973  C1984   1.382   .     S
C1974  H1977   1.100   .     S
C1974  C1975   1.385   .     S
C1975  H1979   1.100   .     S
C1980  N1981   1.349   .     S
C1980  N1985   1.348   .     S
N1981  C1982   1.351   .     S
C1982  C1989   1.383   .     S
C1982  N1983   1.349   .     S
N1983  C1984   1.349   .     S
C1984  N1985   1.349   .     S
C1986  C1991   1.401   .     S
C1986  C1987   1.400   .     S
C1986  H1997   1.099   .     S
C1987  H1994   1.100   .     S
C1987  C1988   1.385   .     S
C1988  C1989   1.429   .     S
C1988  H1992   1.099   .     S
C1989  C1990   1.428   .     S
C1990  H1993   1.099   .     S
C1990  C1991   1.384   .     S
C1991  H1995   1.098   .     S
N1998  C1999   1.443   .     S
C1999  C2000   1.413   .     S
C1999  C2004   1.410   .     S
C2000  H2005   1.103   .     S
C2000  C2001   1.399   .     S
C2001  C2002   1.394   .     S
C2001  H2006   1.100   .     S
C2002  C2003   1.394   .     S
C2002  H2007   1.098   .     S
C2003  H2008   1.100   .     S
C2003  C2004   1.399   .     S
C2004  H2009   1.102   .     S
C2010  N2048   1.449   .     S
C2010  C2011   1.413   .     S
C2010  C2015   1.413   .     S
C2011  C2012   1.384   .     S
C2011  H2016   1.104   .     S
C2012  C2013   1.422   .     S
C2012  H2017   1.099   .     S
C2013  C2014   1.422   .     S
C2013  C2030   1.388   .     S
C2014  H2018   1.100   .     S
C2014  C2015   1.386   .     S
C2015  H2019   1.104   .     S
C2020  H2046   1.099   .     S
C2020  C2021   1.402   .     S
C2020  C2025   1.400   .     S
C2021  H2028   1.099   .     S
C2021  C2022   1.385   .     S
C2022  H2026   1.100   .     S
C2022  C2023   1.428   .     S
C2023  C2034   1.383   .     S
C2023  C2024   1.428   .     S
C2024  H2027   1.100   .     S
C2024  C2025   1.384   .     S
C2025  H2029   1.101   .     S
C2030  N2031   1.349   .     S
C2030  N2035   1.349   .     S
N2031  C2032   1.352   .     S
C2032  N2033   1.351   .     S
C2032  C2039   1.383   .     S
N2033  C2034   1.349   .     S
C2034  N2035   1.353   .     S
C2036  C2037   1.400   .     S
C2036  H2047   1.100   .     S
C2036  C2041   1.400   .     S
C2037  H2044   1.099   .     S
C2037  C2038   1.384   .     S
C2038  H2042   1.099   .     S
C2038  C2039   1.428   .     S
C2039  C2040   1.429   .     S
C2040  C2041   1.385   .     S
C2040  H2043   1.099   .     S
C2041  H2045   1.098   .     S
N2048  C2049   1.449   .     S
C2049  C2050   1.413   .     S
C2049  C2054   1.411   .     S
C2050  C2051   1.401   .     S
C2050  H2055   1.102   .     S
C2051  C2052   1.392   .     S
C2051  H2056   1.100   .     S
C2052  H2057   1.099   .     S
C2052  C2053   1.394   .     S
C2053  C2054   1.399   .     S
C2053  H2058   1.100   .     S
C2054  H2059   1.102   .     S
C2060  N2098   1.443   .     S
C2060  C2065   1.414   .     S
C2060  C2061   1.414   .     S
C2061  H2066   1.103   .     S
C2061  C2062   1.385   .     S
C2062  C2063   1.421   .     S
C2062  H2067   1.100   .     S
C2063  C2064   1.421   .     S
C2063  C2080   1.385   .     S
C2064  C2065   1.385   .     S
C2064  H2068   1.101   .     S
C2065  H2069   1.104   .     S
C2070  C2071   1.400   .     S
C2070  C2075   1.401   .     S
C2070  H2096   1.100   .     S
C2071  H2078   1.100   .     S
C2071  C2072   1.385   .     S
C2072  H2076   1.099   .     S
C2072  C2073   1.428   .     S
C2073  C2074   1.428   .     S
C2073  C2084   1.382   .     S
C2074  H2077   1.100   .     S
C2074  C2075   1.385   .     S
C2075  H2079   1.100   .     S
C2080  N2085   1.346   .     S
C2080  N2081   1.349   .     S
N2081  C2082   1.350   .     S
C2082  C2089   1.383   .     S
C2082  N2083   1.350   .     S
N2083  C2084   1.350   .     S
C2084  N2085   1.351   .     S
C2086  C2087   1.400   .     S
C2086  H2097   1.100   .     S
C2086  C2091   1.401   .     S
C2087  C2088   1.384   .     S
C2087  H2094   1.100   .     S
C2088  H2092   1.099   .     S
C2088  C2089   1.428   .     S
C2089  C2090   1.428   .     S
C2090  C2091   1.385   .     S
C2090  H2093   1.100   .     S
C2091  H2095   1.100   .     S
N2098  C2099   1.442   .     S
C2099  C2104   1.410   .     S
C2099  C2100   1.411   .     S
C2100  H2105   1.102   .     S
C2100  C2101   1.398   .     S
C2101  H2106   1.100   .     S
C2101  C2102   1.395   .     S
C2102  H2107   1.100   .     S
C2102  C2103   1.395   .     S
C2103  H2108   1.100   .     S
C2103  C2104   1.400   .     S
C2104  H2109   1.103   .     S
C2110  C2115   1.415   .     S
C2110  C2111   1.412   .     S
C2110  N2148   1.445   .     S
C2111  H2116   1.103   .     S
C2111  C2112   1.384   .     S
C2112  H2117   1.099   .     S
C2112  C2113   1.423   .     S
C2113  C2130   1.385   .     S
C2113  C2114   1.420   .     S
C2114  C2115   1.385   .     S
C2114  H2118   1.100   .     S
C2115  H2119   1.103   .     S
C2120  C2121   1.401   .     S
C2120  H2146   1.099   .     S
C2120  C2125   1.400   .     S
C2121  H2128   1.099   .     S
C2121  C2122   1.384   .     S
C2122  H2126   1.100   .     S
C2122  C2123   1.428   .     S
C2123  C2124   1.428   .     S
C2123  C2134   1.383   .     S
C2124  C2125   1.384   .     S
C2124  H2127   1.100   .     S
C2125  H2129   1.100   .     S
C2130  N2131   1.349   .     S
C2130  N2135   1.349   .     S
N2131  C2132   1.350   .     S
C2132  N2133   1.350   .     S
C2132  C2139   1.382   .     S
N2133  C2134   1.348   .     S
C2134  N2135   1.350   .     S
C2136  C2141   1.400   .     S
C2136  H2147   1.099   .     S
C2136  C2137   1.401   .     S
C2137  H2144   1.100   .     S
C2137  C2138   1.384   .     S
C2138  C2139   1.429   .     S
C2138  H2142   1.099   .     S
C2139  C2140   1.428   .     S
C2140  H2143   1.100   .     S
C2140  C2141   1.384   .     S
C2141  H2145   1.099   .     S
N2148  C2149   1.445   .     S
C2149  C2150   1.411   .     S
C2149  C2154   1.411   .     S
C2150  C2151   1.398   .     S
C2150  H2155   1.103   .     S
C2151  C2152   1.394   .     S
C2151  H2156   1.101   .     S
C2152  H2157   1.098   .     S
C2152  C2153   1.393   .     S
C2153  H2158   1.100   .     S
C2153  C2154   1.398   .     S
C2154  H2159   1.103   .     S
C2160  N2198   1.440   .     S
C2160  C2165   1.413   .     S
C2160  C2161   1.410   .     S
C2161  H2166   1.104   .     S
C2161  C2162   1.391   .     S
C2162  C2163   1.422   .     S
C2162  H2167   1.099   .     S
C2163  C2180   1.392   .     S
C2163  C2164   1.418   .     S
C2164  C2165   1.386   .     S
C2164  H2168   1.102   .     S
C2165  H2169   1.103   .     S
C2170  H2196   1.101   .     S
C2170  C2175   1.400   .     S
C2170  C2171   1.399   .     S
C2171  C2172   1.385   .     S
C2171  H2178   1.099   .     S
C2172  C2173   1.429   .     S
C2172  H2176   1.099   .     S
C2173  C2184   1.383   .     S
C2173  C2174   1.426   .     S
C2174  C2175   1.385   .     S
C2174  H2177   1.099   .     S
C2175  H2179   1.098   .     S
C2180  N2181   1.348   .     S
C2180  N2185   1.346   .     S
N2181  C2182   1.345   .     S
C2182  C2189   1.386   .     S
C2182  N2183   1.345   .     S
N2183  C2184   1.351   .     S
C2184  N2185   1.355   .     S
C2186  H2197   1.099   .     S
C2186  C2187   1.399   .     S
C2186  C2191   1.402   .     S
C2187  C2188   1.384   .     S
C2187  H2194   1.100   .     S
C2188  H2192   1.100   .     S
C2188  C2189   1.426   .     S
C2189  C2190   1.425   .     S
C2190  C2191   1.387   .     S
C2190  H2193   1.100   .     S
C2191  H2195   1.101   .     S
N2198  C2199   1.446   .     S
C2199  C2200   1.411   .     S
C2199  C2204   1.412   .     S
C2200  H2205   1.102   .     S
C2200  C2201   1.399   .     S
C2201  H2206   1.100   .     S
C2201  C2202   1.394   .     S
C2202  C2203   1.393   .     S
C2202  H2207   1.099   .     S
C2203  H2208   1.101   .     S
C2203  C2204   1.399   .     S
C2204  H2209   1.103   .     S
C2210  C2211   1.416   .     S
C2210  N2248   1.444   .     S
C2210  C2215   1.413   .     S
C2211  H2216   1.104   .     S
C2211  C2212   1.381   .     S
C2212  H2217   1.100   .     S
C2212  C2213   1.418   .     S
C2213  C2214   1.419   .     S
C2213  C2230   1.383   .     S
C2214  C2215   1.385   .     S
C2214  H2218   1.101   .     S
C2215  H2219   1.103   .     S
C2220  C2221   1.401   .     S
C2220  H2246   1.099   .     S
C2220  C2225   1.400   .     S
C2221  C2222   1.384   .     S
C2221  H2228   1.098   .     S
C2222  C2223   1.428   .     S
C2222  H2226   1.100   .     S
C2223  C2234   1.382   .     S
C2223  C2224   1.430   .     S
C2224  C2225   1.384   .     S
C2224  H2227   1.100   .     S
C2225  H2229   1.100   .     S
C2230  N2235   1.346   .     S
C2230  N2231   1.345   .     S
N2231  C2232   1.349   .     S
C2232  N2233   1.350   .     S
C2232  C2239   1.382   .     S
N2233  C2234   1.350   .     S
C2234  N2235   1.349   .     S
C2236  C2237   1.400   .     S
C2236  C2241   1.401   .     S
C2236  H2247   1.100   .     S
C2237  H2244   1.100   .     S
C2237  C2238   1.384   .     S
C2238  H2242   1.100   .     S
C2238  C2239   1.429   .     S
C2239  C2240   1.427   .     S
C2240  C2241   1.384   .     S
C2240  H2243   1.100   .     S
C2241  H2245   1.098   .     S
N2248  C2249   1.446   .     S
C2249  C2250   1.413   .     S
C2249  C2254   1.409   .     S
C2250  C2251   1.400   .     S
C2250  H2255   1.100   .     S
C2251  C2252   1.392   .     S
C2251  H2256   1.100   .     S
C2252  H2257   1.098   .     S
C2252  C2253   1.393   .     S
C2253  H2258   1.099   .     S
C2253  C2254   1.399   .     S
C2254  H2259   1.101   .     S
C2260  N2298   1.442   .     S
C2260  C2261   1.414   .     S
C2260  C2265   1.410   .     S
C2261  C2262   1.385   .     S
C2261  H2266   1.103   .     S
C2262  C2263   1.419   .     S
C2262  H2267   1.100   .     S
C2263  C2280   1.385   .     S
C2263  C2264   1.423   .     S
C2264  H2268   1.101   .     S
C2264  C2265   1.383   .     S
C2265  H2269   1.102   .     S
C2270  C2271   1.401   .     S
C2270  C2275   1.399   .     S
C2270  H2296   1.100   .     S
C2271  H2278   1.098   .     S
C2271  C2272   1.386   .     S
C2272  C2273   1.429   .     S
C2272  H2276   1.100   .     S
C2273  C2284   1.383   .     S
C2273  C2274   1.429   .     S
C2274  C2275   1.386   .     S
C2274  H2277   1.100   .     S
C2275  H2279   1.100   .     S
C2280  N2285   1.350   .     S
C2280  N2281   1.350   .     S
N2281  C2282   1.348   .     S
C2282  C2289   1.384   .     S
C2282  N2283   1.349   .     S
N2283  C2284   1.350   .     S
C2284  N2285   1.351   .     S
C2286  C2287   1.402   .     S
C2286  C2291   1.401   .     S
C2286  H2297   1.100   .     S
C2287  C2288   1.385   .     S
C2287  H2294   1.099   .     S
C2288  H2292   1.098   .     S
C2288  C2289   1.429   .     S
C2289  C2290   1.427   .     S
C2290  H2293   1.100   .     S
C2290  C2291   1.384   .     S
C2291  H2295   1.099   .     S
N2298  C2299   1.442   .     S
C2299  C2304   1.410   .     S
C2299  C2300   1.411   .     S
C2300  H2305   1.102   .     S
C2300  C2301   1.397   .     S
C2301  H2306   1.100   .     S
C2301  C2302   1.393   .     S
C2302  C2303   1.395   .     S
C2302  H2307   1.100   .     S
C2303  H2308   1.100   .     S
C2303  C2304   1.400   .     S
C2304  H2309   1.103   .     S
C2310  C2315   1.414   .     S
C2310  N2348   1.443   .     S
C2310  C2311   1.412   .     S
C2311  H2316   1.103   .     S
C2311  C2312   1.385   .     S
C2312  H2317   1.100   .     S
C2312  C2313   1.421   .     S
C2313  C2314   1.419   .     S
C2313  C2330   1.384   .     S
C2314  H2318   1.100   .     S
C2314  C2315   1.384   .     S
C2315  H2319   1.102   .     S
C2320  H2346   1.099   .     S
C2320  C2325   1.401   .     S
C2320  C2321   1.400   .     S
C2321  C2322   1.384   .     S
C2321  H2328   1.099   .     S
C2322  C2323   1.427   .     S
C2322  H2326   1.098   .     S
C2323  C2334   1.383   .     S
C2323  C2324   1.429   .     S
C2324  C2325   1.383   .     S
C2324  H2327   1.100   .     S
C2325  H2329   1.099   .     S
C2330  N2335   1.346   .     S
C2330  N2331   1.348   .     S
N2331  C2332   1.349   .     S
C2332  N2333   1.349   .     S
C2332  C2339   1.383   .     S
N2333  C2334   1.349   .     S
C2334  N2335   1.351   .     S
C2336  H2347   1.100   .     S
C2336  C2337   1.401   .     S
C2336  C2341   1.401   .     S
C2337  H2344   1.099   .     S
C2337  C2338   1.385   .     S
C2338  C2339   1.428   .     S
C2338  H2342   1.099   .     S
C2339  C2340   1.427   .     S
C2340  C2341   1.384   .     S
C2340  H2343   1.100   .     S
C2341  H2345   1.099   .     S
N2348  C2349   1.444   .     S
C2349  C2350   1.412   .     S
C2349  C2354   1.412   .     S
C2350  H2355   1.102   .     S
C2350  C2351   1.399   .     S
C2351  H2356   1.100   .     S
C2351  C2352   1.394   .     S
C2352  H2357   1.100   .     S
C2352  C2353   1.393   .     S
C2353  H2358   1.100   .     S
C2353  C2354   1.399   .     S
C2354  H2359   1.102   .     S
C2360  C2365   1.416   .     S
C2360  C2361   1.412   .     S
C2360  N2398   1.445   .     S
C2361  H2366   1.102   .     S
C2361  C2362   1.386   .     S
C2362  H2367   1.100   .     S
C2362  C2363   1.423   .     S
C2363  C2364   1.420   .     S
C2363  C2380   1.385   .     S
C2364  H2368   1.100   .     S
C2364  C2365   1.384   .     S
C2365  H2369   1.103   .     S
C2370  C2371   1.399   .     S
C2370  H2396   1.100   .     S
C2370  C2375   1.399   .     S
C2371  C2372   1.384   .     S
C2371  H2378   1.099   .     S
C2372  H2376   1.100   .     S
C2372  C2373   1.428   .     S
C2373  C2384   1.383   .     S
C2373  C2374   1.429   .     S
C2374  C2375   1.386   .     S
C2374  H2377   1.099   .     S
C2375  H2379   1.100   .     S
C2380  N2385   1.349   .     S
C2380  N2381   1.349   .     S
N2381  C2382   1.348   .     S
C2382  C2389   1.383   .     S
C2382  N2383   1.348   .     S
N2383  C2384   1.350   .     S
C2384  N2385   1.351   .     S
C2386  H2397   1.100   .     S
C2386  C2391   1.400   .     S
C2386  C2387   1.400   .     S
C2387  H2394   1.100   .     S
C2387  C2388   1.384   .     S
C2388  C2389   1.428   .     S
C2388  H2392   1.099   .     S
C2389  C2390   1.427   .     S
C2390  C2391   1.385   .     S
C2390  H2393   1.099   .     S
C2391  H2395   1.099   .     S
N2398  C2399   1.430   .     S
C2399  C2400   1.408   .     S
C2399  C2404   1.407   .     S
C2400  C2401   1.399   .     S
C2400  H2405   1.103   .     S
C2401  C2402   1.395   .     S
C2401  H2406   1.098   .     S
C2402  H2407   1.099   .     S
C2402  C2403   1.394   .     S
C2403  C2404   1.399   .     S
C2403  H2408   1.099   .     S
C2404  H2409   1.103   .     S
C2410  N2448   1.441   .     S
C2410  C2415   1.412   .     S
C2410  C2411   1.414   .     S
C2411  C2412   1.380   .     S
C2411  H2416   1.104   .     S
C2412  H2417   1.099   .     S
C2412  C2413   1.418   .     S
C2413  C2430   1.385   .     S
C2413  C2414   1.420   .     S
C2414  H2418   1.102   .     S
C2414  C2415   1.388   .     S
C2415  H2419   1.104   .     S
C2420  H2446   1.101   .     S
C2420  C2425   1.400   .     S
C2420  C2421   1.401   .     S
C2421  H2428   1.099   .     S
C2421  C2422   1.385   .     S
C2422  H2426   1.099   .     S
C2422  C2423   1.426   .     S
C2423  C2434   1.383   .     S
C2423  C2424   1.428   .     S
C2424  H2427   1.099   .     S
C2424  C2425   1.384   .     S
C2425  H2429   1.100   .     S
C2430  N2431   1.344   .     S
C2430  N2435   1.347   .     S
N2431  C2432   1.353   .     S
C2432  C2439   1.382   .     S
C2432  N2433   1.351   .     S
N2433  C2434   1.349   .     S
C2434  N2435   1.345   .     S
C2436  H2447   1.100   .     S
C2436  C2437   1.400   .     S
C2436  C2441   1.400   .     S
C2437  H2444   1.101   .     S
C2437  C2438   1.383   .     S
C2438  H2442   1.099   .     S
C2438  C2439   1.431   .     S
C2439  C2440   1.428   .     S
C2440  H2443   1.099   .     S
C2440  C2441   1.384   .     S
C2441  H2445   1.099   .     S
N2448  C2449   1.444   .     S
C2449  C2454   1.411   .     S
C2449  C2450   1.413   .     S
C2450  C2451   1.399   .     S
C2450  H2455   1.103   .     S
C2451  C2452   1.392   .     S
C2451  H2456   1.102   .     S
C2452  C2453   1.394   .     S
C2452  H2457   1.098   .     S
C2453  C2454   1.399   .     S
C2453  H2458   1.101   .     S
C2454  H2459   1.102   .     S
C2460  C2465   1.413   .     S
C2460  C2461   1.416   .     S
C2460  N2498   1.443   .     S
C2461  C2462   1.383   .     S
C2461  H2466   1.104   .     S
C2462  H2467   1.101   .     S
C2462  C2463   1.420   .     S
C2463  C2464   1.421   .     S
C2463  C2480   1.384   .     S
C2464  H2468   1.101   .     S
C2464  C2465   1.384   .     S
C2465  H2469   1.103   .     S
C2470  H2496   1.099   .     S
C2470  C2471   1.400   .     S
C2470  C2475   1.400   .     S
C2471  H2478   1.098   .     S
C2471  C2472   1.384   .     S
C2472  C2473   1.428   .     S
C2472  H2476   1.100   .     S
C2473  C2484   1.383   .     S
C2473  C2474   1.429   .     S
C2474  H2477   1.099   .     S
C2474  C2475   1.387   .     S
C2475  H2479   1.099   .     S
C2480  N2485   1.350   .     S
C2480  N2481   1.346   .     S
N2481  C2482   1.350   .     S
C2482  N2483   1.348   .     S
C2482  C2489   1.383   .     S
N2483  C2484   1.351   .     S
C2484  N2485   1.348   .     S
C2486  C2491   1.400   .     S
C2486  C2487   1.401   .     S
C2486  H2497   1.100   .     S
C2487  H2494   1.100   .     S
C2487  C2488   1.385   .     S
C2488  H2492   1.100   .     S
C2488  C2489   1.428   .     S
C2489  C2490   1.427   .     S
C2490  H2493   1.100   .     S
C2490  C2491   1.384   .     S
C2491  H2495   1.098   .     S
N2498  C2499   1.445   .     S
C2499  C2500   1.415   .     S
C2499  C2504   1.410   .     S
C2500  C2501   1.399   .     S
C2500  H2505   1.103   .     S
C2501  H2506   1.101   .     S
C2501  C2502   1.393   .     S
C2502  C2503   1.394   .     S
C2502  H2507   1.099   .     S
C2503  C2504   1.400   .     S
C2503  H2508   1.100   .     S
C2504  H2509   1.101   .     S
C2510  N2548   1.439   .     S
C2510  C2515   1.410   .     S
C2510  C2511   1.415   .     S
C2511  H2516   1.104   .     S
C2511  C2512   1.383   .     S
C2512  H2517   1.100   .     S
C2512  C2513   1.419   .     S
C2513  C2514   1.423   .     S
C2513  C2530   1.384   .     S
C2514  H2518   1.100   .     S
C2514  C2515   1.385   .     S
C2515  H2519   1.103   .     S
C2520  C2525   1.401   .     S
C2520  C2521   1.401   .     S
C2520  H2546   1.099   .     S
C2521  H2528   1.099   .     S
C2521  C2522   1.384   .     S
C2522  H2526   1.099   .     S
C2522  C2523   1.430   .     S
C2523  C2524   1.428   .     S
C2523  C2534   1.383   .     S
C2524  C2525   1.385   .     S
C2524  H2527   1.100   .     S
C2525  H2529   1.100   .     S
C2530  N2535   1.350   .     S
C2530  N2531   1.347   .     S
N2531  C2532   1.349   .     S
C2532  N2533   1.347   .     S
C2532  C2539   1.383   .     S
N2533  C2534   1.350   .     S
C2534  N2535   1.352   .     S
C2536  C2541   1.400   .     S
C2536  H2547   1.101   .     S
C2536  C2537   1.400   .     S
C2537  H2544   1.099   .     S
C2537  C2538   1.384   .     S
C2538  C2539   1.428   .     S
C2538  H2542   1.100   .     S
C2539  C2540   1.427   .     S
C2540  C2541   1.385   .     S
C2540  H2543   1.099   .     S
C2541  H2545   1.098   .     S
N2548  C2549   1.444   .     S
C2549  C2554   1.410   .     S
C2549  C2550   1.412   .     S
C2550  H2555   1.104   .     S
C2550  C2551   1.399   .     S
C2551  H2556   1.101   .     S
C2551  C2552   1.393   .     S
C2552  H2557   1.099   .     S
C2552  C2553   1.395   .     S
C2553  C2554   1.401   .     S
C2553  H2558   1.102   .     S
C2554  H2559   1.102   .     S
C2560  N2598   1.443   .     S
C2560  C2561   1.414   .     S
C2560  C2565   1.412   .     S
C2561  H2566   1.103   .     S
C2561  C2562   1.382   .     S
C2562  H2567   1.100   .     S
C2562  C2563   1.420   .     S
C2563  C2564   1.420   .     S
C2563  C2580   1.383   .     S
C2564  H2568   1.101   .     S
C2564  C2565   1.385   .     S
C2565  H2569   1.103   .     S
C2570  H2596   1.100   .     S
C2570  C2575   1.400   .     S
C2570  C2571   1.400   .     S
C2571  H2578   1.100   .     S
C2571  C2572   1.384   .     S
C2572  H2576   1.100   .     S
C2572  C2573   1.427   .     S
C2573  C2574   1.429   .     S
C2573  C2584   1.383   .     S
C2574  H2577   1.100   .     S
C2574  C2575   1.385   .     S
C2575  H2579   1.100   .     S
C2580  N2585   1.348   .     S
C2580  N2581   1.346   .     S
N2581  C2582   1.351   .     S
C2582  C2589   1.383   .     S
C2582  N2583   1.349   .     S
N2583  C2584   1.349   .     S
C2584  N2585   1.349   .     S
C2586  H2597   1.099   .     S
C2586  C2587   1.400   .     S
C2586  C2591   1.400   .     S
C2587  H2594   1.100   .     S
C2587  C2588   1.385   .     S
C2588  H2592   1.099   .     S
C2588  C2589   1.429   .     S
C2589  C2590   1.427   .     S
C2590  H2593   1.100   .     S
C2590  C2591   1.385   .     S
C2591  H2595   1.099   .     S
N2598  C2599   1.444   .     S
C2599  C2600   1.413   .     S
C2599  C2604   1.409   .     S
C2600  H2605   1.104   .     S
C2600  C2601   1.398   .     S
C2601  C2602   1.392   .     S
C2601  H2606   1.101   .     S
C2602  C2603   1.394   .     S
C2602  H2607   1.099   .     S
C2603  H2608   1.100   .     S
C2603  C2604   1.400   .     S
C2604  H2609   1.102   .     S
