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

data_final_frame_P2_DJW
_audit_creation_date              2014-10-20
_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                    50.0000
_cell_length_b                    50.0000
_cell_length_c                    50.0000
_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
N1     N     0.53026   0.44408   0.23533   0.00000  Uiso   1.00
N2     N     0.52553   0.40083   0.25160   0.00000  Uiso   1.00
N3     N     0.50528   0.41265   0.21095   0.00000  Uiso   1.00
N4     N     0.54779   0.16504   0.16676   0.00000  Uiso   1.00
N5     N     0.52189   0.19054   0.19746   0.00000  Uiso   1.00
N6     N     0.54090   0.20954   0.15821   0.00000  Uiso   1.00
N7     N     0.38377   0.58883   0.15198   0.00000  Uiso   1.00
N8     N     0.37223   0.55596   0.11961   0.00000  Uiso   1.00
N9     N     0.34592   0.59447   0.12378   0.00000  Uiso   1.00
N10    N     0.30391   0.77150   0.27166   0.00000  Uiso   1.00
N11    N     0.26332   0.79366   0.27926   0.00000  Uiso   1.00
N12    N     0.26459   0.76253   0.24486   0.00000  Uiso   1.00
N16    N     0.04443   0.76460   0.21977   0.00000  Uiso   1.00
N17    N     0.99936   0.77885   0.22675   0.00000  Uiso   1.00
N18    N     0.03502   0.80181   0.24795   0.00000  Uiso   1.00
N21    N     0.41846   0.00643   0.25029   0.00000  Uiso   1.00
C1     C     0.53455   0.42560   0.25463   0.00000  Uiso   1.00
C2     C     0.55125   0.18662   0.15179   0.00000  Uiso   1.00
C3     C     0.28877   0.78811   0.28566   0.00000  Uiso   1.00
H1     H     0.52504   0.25847   0.15047   0.00000  Uiso   1.00
H2     H     0.49636   0.21975   0.22466   0.00000  Uiso   1.00
H3     H     0.48064   0.26708   0.23927   0.00000  Uiso   1.00
H4     H     0.50574   0.30636   0.25568   0.00000  Uiso   1.00
H5     H     0.51315   0.35356   0.26515   0.00000  Uiso   1.00
H6     H     0.48570   0.37419   0.18765   0.00000  Uiso   1.00
H7     H     0.46806   0.32682   0.17778   0.00000  Uiso   1.00
H8     H     0.56108   0.18377   0.13282   0.00000  Uiso   1.00
H9     H     0.54620   0.43113   0.27370   0.00000  Uiso   1.00
H10    H     0.50294   0.52657   0.19117   0.00000  Uiso   1.00
H11    H     0.36989   0.66184   0.21773   0.00000  Uiso   1.00
H12    H     0.38754   0.62306   0.18715   0.00000  Uiso   1.00
H13    H     0.32524   0.64256   0.12919   0.00000  Uiso   1.00
H14    H     0.31047   0.67975   0.15602   0.00000  Uiso   1.00
H15    H     0.36554   0.70431   0.22243   0.00000  Uiso   1.00
H16    H     0.34476   0.74521   0.24978   0.00000  Uiso   1.00
H17    H     0.26570   0.71887   0.22216   0.00000  Uiso   1.00
H18    H     0.28704   0.68637   0.19323   0.00000  Uiso   1.00
H19    H     0.42233   0.57138   0.17964   0.00000  Uiso   1.00
H20    H     0.29798   0.79970   0.30404   0.00000  Uiso   1.00
H21    H     0.52494   0.49192   0.21763   0.00000  Uiso   1.00
H22    H     0.29268   0.59866   0.00724   0.00000  Uiso   1.00
H25    H     0.30769   0.51398   0.00564   0.00000  Uiso   1.00
H26    H     0.28160   0.58723   0.05159   0.00000  Uiso   1.00
H27    H     0.30683   0.59682   0.09252   0.00000  Uiso   1.00
H28    H     0.35760   0.52781   0.07928   0.00000  Uiso   1.00
H29    H     0.33400   0.52026   0.03351   0.00000  Uiso   1.00
H30    H     0.13551   0.75491   0.21790   0.00000  Uiso   1.00
H31    H     0.08827   0.75438   0.21034   0.00000  Uiso   1.00
H32    H     0.08131   0.82235   0.26763   0.00000  Uiso   1.00
H33    H     0.13109   0.82714   0.26623   0.00000  Uiso   1.00
H34    H     0.17260   0.77270   0.20903   0.00000  Uiso   1.00
H35    H     0.22288   0.76258   0.21782   0.00000  Uiso   1.00
H36    H     0.21625   0.81427   0.28687   0.00000  Uiso   1.00
H37    H     0.16955   0.81424   0.28293   0.00000  Uiso   1.00
H39    H     0.48443   0.42869   0.17094   0.00000  Uiso   1.00
H40    H     0.46387   0.54451   0.19065   0.00000  Uiso   1.00
H42    H     0.48533   0.12069   0.25366   0.00000  Uiso   1.00
H43    H     0.50395   0.16365   0.23298   0.00000  Uiso   1.00
H44    H     0.55053   0.11516   0.17714   0.00000  Uiso   1.00
H45    H     0.53211   0.07731   0.19124   0.00000  Uiso   1.00
H46    H     0.47202   0.08317   0.26692   0.00000  Uiso   1.00
H47    H     0.44029   0.04737   0.26723   0.00000  Uiso   1.00
H48    H     0.48164   0.00659   0.20243   0.00000  Uiso   1.00
H49    H     0.51623   0.04603   0.20278   0.00000  Uiso   1.00
H50    H     0.45665   0.46517   0.14739   0.00000  Uiso   1.00
H52    H     0.99307   0.81006   0.25347   0.00000  Uiso   1.00
H54    H     0.44869   0.49778   0.11910   0.00000  Uiso   1.00
H55    H     0.50744   0.29717   0.16444   0.00000  Uiso   1.00
H56    H     0.43275   0.94057   0.21468   0.00000  Uiso   1.00
H57    H     0.40609   0.52145   0.11334   0.00000  Uiso   1.00
C10    C     0.52547   0.21142   0.18022   0.00000  Uiso   1.00
C11    C     0.51501   0.43760   0.21422   0.00000  Uiso   1.00
C12    C     0.38919   0.56589   0.13806   0.00000  Uiso   1.00
C13    C     0.35065   0.57069   0.11302   0.00000  Uiso   1.00
C14    C     0.36229   0.60351   0.14345   0.00000  Uiso   1.00
C16    C     0.05236   0.78510   0.23570   0.00000  Uiso   1.00
C17    C     0.53358   0.16752   0.19007   0.00000  Uiso   1.00
C18    C     0.51035   0.39412   0.22980   0.00000  Uiso   1.00
C19    C     0.25189   0.78187   0.25816   0.00000  Uiso   1.00
C20    C     0.44010   0.00328   0.23435   0.00000  Uiso   1.00
C21    C     0.29035   0.75722   0.25169   0.00000  Uiso   1.00
C22    C     0.31313   0.57959   0.08148   0.00000  Uiso   1.00
C23    C     0.49878   0.50517   0.18461   0.00000  Uiso   1.00
C24    C     0.34042   0.53982   0.07371   0.00000  Uiso   1.00
C25    C     0.32832   0.53612   0.04711   0.00000  Uiso   1.00
C26    C     0.50524   0.34637   0.24614   0.00000  Uiso   1.00
C27    C     0.12485   0.77142   0.22669   0.00000  Uiso   1.00
C28    C     0.09718   0.77064   0.22229   0.00000  Uiso   1.00
C29    C     0.36030   0.65698   0.19732   0.00000  Uiso   1.00
C30    C     0.09278   0.80885   0.25544   0.00000  Uiso   1.00
C31    C     0.49146   0.26371   0.22076   0.00000  Uiso   1.00
C32    C     0.12147   0.81105   0.25495   0.00000  Uiso   1.00
C33    C     0.37152   0.63643   0.18049   0.00000  Uiso   1.00
C34    C     0.18200   0.77921   0.22672   0.00000  Uiso   1.00
C35    C     0.20973   0.77459   0.23061   0.00000  Uiso   1.00
C36    C     0.20827   0.80469   0.26874   0.00000  Uiso   1.00
C37    C     0.33553   0.64538   0.14895   0.00000  Uiso   1.00
C38    C     0.18037   0.80490   0.26597   0.00000  Uiso   1.00
C39    C     0.48688   0.35844   0.20276   0.00000  Uiso   1.00
C40    C     0.48967   0.44924   0.17481   0.00000  Uiso   1.00
C41    C     0.45139   0.53873   0.17352   0.00000  Uiso   1.00
C42    C     0.32630   0.66770   0.16452   0.00000  Uiso   1.00
C43    C     0.49867   0.23710   0.21174   0.00000  Uiso   1.00
C44    C     0.34359   0.70894   0.22310   0.00000  Uiso   1.00
C45    C     0.47325   0.46998   0.16198   0.00000  Uiso   1.00
C47    C     0.50126   0.11908   0.23737   0.00000  Uiso   1.00
C48    C     0.47809   0.33201   0.19692   0.00000  Uiso   1.00
C49    C     0.51074   0.14402   0.22567   0.00000  Uiso   1.00
C50    C     0.33193   0.73198   0.23619   0.00000  Uiso   1.00
C51    C     0.53722   0.11823   0.19361   0.00000  Uiso   1.00
C52    C     0.52759   0.09382   0.20484   0.00000  Uiso   1.00
C53    C     0.47387   0.06729   0.25055   0.00000  Uiso   1.00
C54    C     0.28799   0.71779   0.22069   0.00000  Uiso   1.00
C55    C     0.45416   0.04705   0.24927   0.00000  Uiso   1.00
C56    C     0.47914   0.02419   0.21500   0.00000  Uiso   1.00
C57    C     0.29954   0.69645   0.20582   0.00000  Uiso   1.00
C58    C     0.49939   0.04492   0.21628   0.00000  Uiso   1.00
C59    C     0.49863   0.31963   0.24011   0.00000  Uiso   1.00
C60    C     0.51339   0.48498   0.19983   0.00000  Uiso   1.00
C61    C     0.50377   0.28187   0.17823   0.00000  Uiso   1.00
C62    C     0.44404   0.51345   0.13303   0.00000  Uiso   1.00
C63    C     0.42956   0.55570   0.16728   0.00000  Uiso   1.00
C66    C     0.41963   0.52811   0.12841   0.00000  Uiso   1.00
C67    C     0.30018   0.57587   0.05600   0.00000  Uiso   1.00
C69    C     0.51582   0.25725   0.17009   0.00000  Uiso   1.00
C70    C     0.22412   0.78772   0.25167   0.00000  Uiso   1.00
C71    C     0.48664   0.31159   0.21472   0.00000  Uiso   1.00
C72    C     0.45697   0.02559   0.23176   0.00000  Uiso   1.00
C74    C     0.51348   0.23569   0.18739   0.00000  Uiso   1.00
C75    C     0.30873   0.55575   0.03744   0.00000  Uiso   1.00
C76    C     0.13835   0.79174   0.24295   0.00000  Uiso   1.00
C77    C     0.49527   0.06912   0.23243   0.00000  Uiso   1.00
C78    C     0.32743   0.69213   0.20646   0.00000  Uiso   1.00
C79    C     0.45830   0.51735   0.15658   0.00000  Uiso   1.00
C80    C     0.16663   0.79249   0.24496   0.00000  Uiso   1.00
C81    C     0.47806   0.49804   0.16636   0.00000  Uiso   1.00
C82    C     0.07992   0.78797   0.23874   0.00000  Uiso   1.00
C83    C     0.41244   0.54985   0.14522   0.00000  Uiso   1.00
C84    C     0.52853   0.14305   0.20366   0.00000  Uiso   1.00
C85    C     0.50094   0.36645   0.22632   0.00000  Uiso   1.00
C86    C     0.49228   0.28629   0.20320   0.00000  Uiso   1.00
C87    C     0.33340   0.56158   0.09040   0.00000  Uiso   1.00
C88    C     0.30207   0.55639   0.00931   0.00000  Uiso   1.00
C89    C     0.50828   0.45729   0.19518   0.00000  Uiso   1.00
C90    C     0.30269   0.73574   0.23745   0.00000  Uiso   1.00
C91    C     0.50998   0.09329   0.22701   0.00000  Uiso   1.00
C92    C     0.35697   0.62864   0.15678   0.00000  Uiso   1.00
C93    C     0.33788   0.67305   0.18930   0.00000  Uiso   1.00
N46    N     0.45465   0.17137   0.37521   0.00000  Uiso   1.00
N47    N     0.43974   0.20736   0.40010   0.00000  Uiso   1.00
N48    N     0.43411   0.21017   0.35387   0.00000  Uiso   1.00
C110   C     0.45166   0.18336   0.39865   0.00000  Uiso   1.00
C185   C     0.44484   0.08893   0.48743   0.00000  Uiso   1.00
C189   C     0.45153   0.16007   0.47052   0.00000  Uiso   1.00
C190   C     0.45032   0.17810   0.44770   0.00000  Uiso   1.00
C191   C     0.46118   0.14067   0.41915   0.00000  Uiso   1.00
C192   C     0.45938   0.12246   0.44086   0.00000  Uiso   1.00
H132   H     0.43935   0.08090   0.46710   0.00000  Uiso   1.00
H139   H     0.44840   0.16819   0.49039   0.00000  Uiso   1.00
H140   H     0.44664   0.20038   0.44927   0.00000  Uiso   1.00
H141   H     0.46394   0.13157   0.39857   0.00000  Uiso   1.00
H143   H     0.46354   0.10114   0.43701   0.00000  Uiso   1.00
H144   H     0.44891   0.17752   0.33324   0.00000  Uiso   1.00
H147   H     0.41968   0.23715   0.38118   0.00000  Uiso   1.00
C219   C     0.45674   0.11454   0.49123   0.00000  Uiso   1.00
C222   C     0.45619   0.16805   0.42146   0.00000  Uiso   1.00
C227   C     0.45647   0.13119   0.46781   0.00000  Uiso   1.00
C237   C     0.43187   0.21941   0.37818   0.00000  Uiso   1.00
C240   C     0.44623   0.18619   0.35276   0.00000  Uiso   1.00
N71    N     0.28542   0.02790   0.17644   0.00000  Uiso   1.00
C346   C     0.26138   0.01824   0.17649   0.00000  Uiso   1.00
H223   H     0.24494   0.03108   0.16902   0.00000  Uiso   1.00
H242   H     0.46432   0.08090   0.16034   0.00000  Uiso   1.00
H262   H     0.32315   0.05819   0.17004   0.00000  Uiso   1.00
H263   H     0.36951   0.06847   0.15477   0.00000  Uiso   1.00
H264   H     0.41624   0.07755   0.17013   0.00000  Uiso   1.00
H278   H     0.38298   0.47620   0.00016   0.00000  Uiso   1.00
C363   C     0.49712   0.03953   0.14118   0.00000  Uiso   1.00
C364   C     0.30450   0.01304   0.18724   0.00000  Uiso   1.00
C390   C     0.33916   0.04532   0.17390   0.00000  Uiso   1.00
C391   C     0.37887   0.00764   0.18628   0.00000  Uiso   1.00
C393   C     0.36554   0.04964   0.16586   0.00000  Uiso   1.00
C394   C     0.42637   0.05887   0.16443   0.00000  Uiso   1.00
C397   C     0.42723   0.01192   0.15066   0.00000  Uiso   1.00
C426   C     0.45475   0.06127   0.15805   0.00000  Uiso   1.00
C429   C     0.45554   0.01308   0.14655   0.00000  Uiso   1.00
C431   C     0.35284   0.00403   0.19646   0.00000  Uiso   1.00
C443   C     0.33145   0.02115   0.18735   0.00000  Uiso   1.00
C447   C     0.46993   0.03879   0.14885   0.00000  Uiso   1.00
C456   C     0.41302   0.03469   0.16162   0.00000  Uiso   1.00
C459   C     0.38595   0.03062   0.17128   0.00000  Uiso   1.00
N91    N     0.43648   0.04816   0.37614   0.00000  Uiso   1.00
N92    N     0.47341   0.07668   0.37997   0.00000  Uiso   1.00
N93    N     0.44704   0.08012   0.34186   0.00000  Uiso   1.00
N106   N     0.31539   0.45367   0.03914   0.00000  Uiso   1.00
N107   N     0.28548   0.43232   0.00943   0.00000  Uiso   1.00
N108   N     0.32944   0.41580   0.01441   0.00000  Uiso   1.00
N110   N     0.24705   0.01373   0.25905   0.00000  Uiso   1.00
C463   C     0.46828   0.08778   0.35700   0.00000  Uiso   1.00
C465   C     0.45710   0.05713   0.38957   0.00000  Uiso   1.00
C467   C     0.43032   0.06109   0.35297   0.00000  Uiso   1.00
C476   C     0.29070   0.45177   0.02722   0.00000  Uiso   1.00
C477   C     0.33346   0.43512   0.03314   0.00000  Uiso   1.00
C487   C     0.49124   0.04209   0.45591   0.00000  Uiso   1.00
C488   C     0.48814   0.05178   0.43010   0.00000  Uiso   1.00
C489   C     0.44691   0.02393   0.42539   0.00000  Uiso   1.00
C490   C     0.45027   0.01469   0.45328   0.00000  Uiso   1.00
C497   C     0.29716   0.03150   0.27644   0.00000  Uiso   1.00
C498   C     0.32382   0.03856   0.28221   0.00000  Uiso   1.00
C499   C     0.37860   0.05467   0.29867   0.00000  Uiso   1.00
C500   C     0.40173   0.06378   0.31300   0.00000  Uiso   1.00
C501   C     0.39123   0.03056   0.34704   0.00000  Uiso   1.00
C502   C     0.36886   0.02068   0.33131   0.00000  Uiso   1.00
C503   C     0.39653   0.45770   0.07071   0.00000  Uiso   1.00
C504   C     0.37082   0.45806   0.05857   0.00000  Uiso   1.00
C505   C     0.37812   0.41397   0.03944   0.00000  Uiso   1.00
C506   C     0.40346   0.41344   0.05207   0.00000  Uiso   1.00
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C508   C     0.48327   0.45892   0.08812   0.00000  Uiso   1.00
C509   C     0.48092   0.41108   0.09282   0.00000  Uiso   1.00
C510   C     0.45431   0.41096   0.08250   0.00000  Uiso   1.00
C540   C     0.49050   0.14772   0.31466   0.00000  Uiso   1.00
C541   C     0.47610   0.12456   0.32406   0.00000  Uiso   1.00
C555   C     0.27842   0.49222   0.05412   0.00000  Uiso   1.00
C556   C     0.24874   0.47508   0.01790   0.00000  Uiso   1.00
C557   C     0.23122   0.49745   0.02214   0.00000  Uiso   1.00
H290   H     0.49668   0.36337   0.43647   0.00000  Uiso   1.00
H302   H     0.28376   0.04799   0.27083   0.00000  Uiso   1.00
H306   H     0.32521   0.06077   0.28291   0.00000  Uiso   1.00
H312   H     0.37331   0.06373   0.28006   0.00000  Uiso   1.00
H318   H     0.41284   0.08214   0.30629   0.00000  Uiso   1.00
H322   H     0.39769   0.01873   0.36413   0.00000  Uiso   1.00
H326   H     0.35986   0.00292   0.34003   0.00000  Uiso   1.00
H329   H     0.42903   0.01580   0.41521   0.00000  Uiso   1.00
H331   H     0.40117   0.47544   0.08175   0.00000  Uiso   1.00
H333   H     0.35819   0.47546   0.06449   0.00000  Uiso   1.00
H335   H     0.48131   0.15864   0.29658   0.00000  Uiso   1.00
H338   H     0.20837   0.02427   0.24572   0.00000  Uiso   1.00
H339   H     0.45832   0.11783   0.31331   0.00000  Uiso   1.00
H340   H     0.43350   0.00304   0.46247   0.00000  Uiso   1.00
H342   H     0.37097   0.39845   0.02512   0.00000  Uiso   1.00
H346   H     0.41359   0.39475   0.04740   0.00000  Uiso   1.00
H351   H     0.44889   0.47972   0.07470   0.00000  Uiso   1.00
H355   H     0.49217   0.47952   0.09045   0.00000  Uiso   1.00
H360   H     0.48846   0.39225   0.09991   0.00000  Uiso   1.00
H364   H     0.44488   0.39126   0.08237   0.00000  Uiso   1.00
H365   H     0.29768   0.49264   0.06591   0.00000  Uiso   1.00
H366   H     0.24344   0.46176   0.00195   0.00000  Uiso   1.00
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C566   C     0.41432   0.43499   0.06787   0.00000  Uiso   1.00
C569   C     0.36350   0.03288   0.30691   0.00000  Uiso   1.00
C570   C     0.47224   0.01991   0.49574   0.00000  Uiso   1.00
C574   C     0.29043   0.00388   0.27637   0.00000  Uiso   1.00
C578   C     0.49581   0.43483   0.09775   0.00000  Uiso   1.00
C581   C     0.34241   0.02029   0.29334   0.00000  Uiso   1.00
C584   C     0.40803   0.05187   0.33786   0.00000  Uiso   1.00
C585   C     0.36014   0.43640   0.04333   0.00000  Uiso   1.00
C586   C     0.27242   0.47304   0.03326   0.00000  Uiso   1.00
C587   C     0.44187   0.43557   0.07722   0.00000  Uiso   1.00
C592   C     0.46564   0.04298   0.41445   0.00000  Uiso   1.00
C593   C     0.48392   0.10986   0.34699   0.00000  Uiso   1.00
C602   C     0.30536   0.41450   0.00319   0.00000  Uiso   1.00
C603   C     0.22232   0.00738   0.25194   0.00000  Uiso   1.00
H386   H     0.46790   0.24335   0.35409   0.00000  Uiso   1.00
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H388   H     0.45780   0.33817   0.32574   0.00000  Uiso   1.00
H389   H     0.47537   0.32809   0.37359   0.00000  Uiso   1.00
H390   H     0.48976   0.23840   0.38524   0.00000  Uiso   1.00
H392   H     0.46942   0.30664   0.45760   0.00000  Uiso   1.00
H393   H     0.46345   0.31775   0.41445   0.00000  Uiso   1.00
H412   H     0.39222   0.18519   0.18644   0.00000  Uiso   1.00
H413   H     0.37182   0.15550   0.15598   0.00000  Uiso   1.00
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H416   H     0.34640   0.25275   0.15260   0.00000  Uiso   1.00
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H419   H     0.41820   0.30220   0.19342   0.00000  Uiso   1.00
H420   H     0.38633   0.27559   0.16517   0.00000  Uiso   1.00
H421   H     0.45318   0.42156   0.28129   0.00000  Uiso   1.00
H422   H     0.44791   0.37425   0.28804   0.00000  Uiso   1.00
H423   H     0.42440   0.36225   0.20363   0.00000  Uiso   1.00
H424   H     0.42680   0.40989   0.19682   0.00000  Uiso   1.00
H425   H     0.39574   0.44814   0.21444   0.00000  Uiso   1.00
H426   H     0.38476   0.49520   0.22112   0.00000  Uiso   1.00
H429   H     0.46860   0.46106   0.26335   0.00000  Uiso   1.00
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N122   N     0.44209   0.32872   0.28050   0.00000  Uiso   1.00
N123   N     0.43360   0.28432   0.27302   0.00000  Uiso   1.00
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C612   C     0.44261   0.30335   0.28949   0.00000  Uiso   1.00
C613   C     0.42454   0.29175   0.24767   0.00000  Uiso   1.00
C621   C     0.46455   0.26469   0.34866   0.00000  Uiso   1.00
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C630   C     0.46067   0.31708   0.33274   0.00000  Uiso   1.00
C633   C     0.46941   0.31159   0.35956   0.00000  Uiso   1.00
C634   C     0.37665   0.19398   0.17441   0.00000  Uiso   1.00
C636   C     0.36513   0.17598   0.15535   0.00000  Uiso   1.00
C637   C     0.34624   0.18558   0.13565   0.00000  Uiso   1.00
C638   C     0.48412   0.25211   0.40318   0.00000  Uiso   1.00
C639   C     0.34169   0.21364   0.13485   0.00000  Uiso   1.00
C641   C     0.35407   0.23165   0.15391   0.00000  Uiso   1.00
C642   C     0.49075   0.24564   0.43056   0.00000  Uiso   1.00
C643   C     0.39290   0.23118   0.21788   0.00000  Uiso   1.00
C645   C     0.40615   0.24704   0.23671   0.00000  Uiso   1.00
C646   C     0.40847   0.28285   0.20174   0.00000  Uiso   1.00
C647   C     0.47420   0.28982   0.44385   0.00000  Uiso   1.00
C648   C     0.39225   0.26682   0.18452   0.00000  Uiso   1.00
C650   C     0.44637   0.41015   0.26329   0.00000  Uiso   1.00
C651   C     0.46898   0.29646   0.41683   0.00000  Uiso   1.00
C652   C     0.44377   0.38279   0.26780   0.00000  Uiso   1.00
C653   C     0.42990   0.37477   0.22129   0.00000  Uiso   1.00
C654   C     0.43241   0.40336   0.21648   0.00000  Uiso   1.00
C655   C     0.41091   0.46168   0.22500   0.00000  Uiso   1.00
C656   C     0.40404   0.48928   0.22865   0.00000  Uiso   1.00
C659   C     0.44436   0.49495   0.25422   0.00000  Uiso   1.00
C660   C     0.45211   0.46746   0.25029   0.00000  Uiso   1.00
C679   C     0.38703   0.23936   0.19098   0.00000  Uiso   1.00
C680   C     0.37384   0.22243   0.17246   0.00000  Uiso   1.00
C681   C     0.43434   0.44991   0.23627   0.00000  Uiso   1.00
C682   C     0.47047   0.28450   0.36852   0.00000  Uiso   1.00
C685   C     0.43387   0.36412   0.24874   0.00000  Uiso   1.00
C687   C     0.47514   0.27790   0.39670   0.00000  Uiso   1.00
C688   C     0.48591   0.26553   0.45144   0.00000  Uiso   1.00
C690   C     0.43769   0.42173   0.23772   0.00000  Uiso   1.00
C693   C     0.41454   0.27283   0.22893   0.00000  Uiso   1.00
C698   C     0.45202   0.29681   0.31403   0.00000  Uiso   1.00
N128   N     0.48942   0.21353   0.10943   0.00000  Uiso   1.00
N129   N     0.49603   0.16749   0.10330   0.00000  Uiso   1.00
C703   C     0.48604   0.18820   0.11757   0.00000  Uiso   1.00
C733   C     0.49630   0.26630   0.09348   0.00000  Uiso   1.00
C736   C     0.43473   0.18749   0.23801   0.00000  Uiso   1.00
C737   C     0.42172   0.18354   0.26244   0.00000  Uiso   1.00
C738   C     0.40744   0.15984   0.26810   0.00000  Uiso   1.00
C739   C     0.40673   0.13878   0.24897   0.00000  Uiso   1.00
C740   C     0.42088   0.14113   0.22316   0.00000  Uiso   1.00
C741   C     0.45792   0.15015   0.17732   0.00000  Uiso   1.00
C742   C     0.46809   0.15394   0.15021   0.00000  Uiso   1.00
C743   C     0.45784   0.20258   0.15666   0.00000  Uiso   1.00
C744   C     0.44706   0.19792   0.18291   0.00000  Uiso   1.00
H442   H     0.48427   0.26204   0.11190   0.00000  Uiso   1.00
H448   H     0.44641   0.20616   0.23654   0.00000  Uiso   1.00
H449   H     0.42520   0.19863   0.27728   0.00000  Uiso   1.00
H450   H     0.49286   0.30640   0.10045   0.00000  Uiso   1.00
H451   H     0.40010   0.15481   0.28817   0.00000  Uiso   1.00
H453   H     0.39483   0.11970   0.25331   0.00000  Uiso   1.00
H454   H     0.41790   0.12588   0.20844   0.00000  Uiso   1.00
H456   H     0.45865   0.12858   0.18385   0.00000  Uiso   1.00
H457   H     0.47897   0.13839   0.13753   0.00000  Uiso   1.00
H459   H     0.45910   0.22388   0.14989   0.00000  Uiso   1.00
H461   H     0.43583   0.21420   0.19259   0.00000  Uiso   1.00
C765   C     0.43470   0.16602   0.21835   0.00000  Uiso   1.00
C774   C     0.47051   0.18238   0.14128   0.00000  Uiso   1.00
C782   C     0.44573   0.17124   0.19215   0.00000  Uiso   1.00
C927   C     0.42566   0.03968   0.00105   0.00000  Uiso   1.00
C928   C     0.42773   0.01255   0.00806   0.00000  Uiso   1.00
H582   H     0.41844   0.05505   0.01560   0.00000  Uiso   1.00
H584   H     0.42328   0.00776   0.03009   0.00000  Uiso   1.00
C1073  C     0.34980   0.48012   0.15587   0.00000  Uiso   1.00
C1074  C     0.34494   0.46581   0.13183   0.00000  Uiso   1.00
C1075  C     0.32307   0.47218   0.11504   0.00000  Uiso   1.00
C1076  C     0.30475   0.49212   0.12142   0.00000  Uiso   1.00
H672   H     0.36433   0.47391   0.17123   0.00000  Uiso   1.00
H674   H     0.36045   0.44944   0.12680   0.00000  Uiso   1.00
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H677   H     0.28777   0.49419   0.10901   0.00000  Uiso   1.00
H757   H     0.49901   0.39166   0.01224   0.00000  Uiso   1.00
C1155  C     0.48409   0.48369   0.01488   0.00000  Uiso   1.00
C1177  C     0.48659   0.40870   0.00561   0.00000  Uiso   1.00
C1179  C     0.49198   0.43541   0.01552   0.00000  Uiso   1.00
C1251  C     0.47549   0.45689   0.00942   0.00000  Uiso   1.00
C1425  C     0.47918   0.00854   0.32359   0.00000  Uiso   1.00
H901   H     0.49369   0.00246   0.28238   0.00000  Uiso   1.00
H903   H     0.49192   0.02536   0.32833   0.00000  Uiso   1.00
H905   H     0.46896   0.00656   0.36467   0.00000  Uiso   1.00
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N299   N     0.45128   0.11273   0.06089   0.00000  Uiso   1.00
N300   N     0.46005   0.15615   0.04395   0.00000  Uiso   1.00
C1562  C     0.46207   0.12976   0.04275   0.00000  Uiso   1.00
C1563  C     0.44448   0.16635   0.06574   0.00000  Uiso   1.00
C1597  C     0.49488   0.07436   0.00072   0.00000  Uiso   1.00
C1598  C     0.48022   0.08798   0.02036   0.00000  Uiso   1.00
C1654  C     0.41465   0.22963   0.09233   0.00000  Uiso   1.00
C1655  C     0.42076   0.20256   0.08897   0.00000  Uiso   1.00
C1656  C     0.44776   0.21369   0.04913   0.00000  Uiso   1.00
C1657  C     0.43957   0.24092   0.05167   0.00000  Uiso   1.00
C1658  C     0.42062   0.28763   0.10441   0.00000  Uiso   1.00
C1659  C     0.40987   0.31383   0.11062   0.00000  Uiso   1.00
C1660  C     0.40222   0.33046   0.08945   0.00000  Uiso   1.00
C1661  C     0.40188   0.32142   0.06370   0.00000  Uiso   1.00
C1662  C     0.41185   0.29500   0.05710   0.00000  Uiso   1.00
H1056  H     0.43016   0.11098   0.09929   0.00000  Uiso   1.00
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H1063  H     0.41264   0.18752   0.10349   0.00000  Uiso   1.00
H1065  H     0.46000   0.20794   0.03224   0.00000  Uiso   1.00
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H1068  H     0.42839   0.27608   0.12028   0.00000  Uiso   1.00
H1070  H     0.40905   0.31965   0.13246   0.00000  Uiso   1.00
H1071  H     0.39353   0.35005   0.09401   0.00000  Uiso   1.00
H1072  H     0.39332   0.33304   0.04759   0.00000  Uiso   1.00
H1074  H     0.41130   0.28885   0.03535   0.00000  Uiso   1.00
C1690  C     0.47607   0.11696   0.02074   0.00000  Uiso   1.00
C1692  C     0.43908   0.19399   0.06792   0.00000  Uiso   1.00
C1697  C     0.42418   0.24919   0.07429   0.00000  Uiso   1.00
C1707  C     0.41958   0.27698   0.07788   0.00000  Uiso   1.00
C1715  C     0.43846   0.12326   0.08197   0.00000  Uiso   1.00
C6     C     0.01804   0.76251   0.21518   0.00000  Uiso   1.00
C7     C     0.00886   0.79905   0.24254   0.00000  Uiso   1.00
H51    H     0.01423   0.74705   0.20037   0.00000  Uiso   1.00
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N44    N     0.73639   0.20006   0.22594   0.00000  Uiso   1.00
N45    N     0.72380   0.22580   0.26320   0.00000  Uiso   1.00
C103   C     0.69318   0.00823   0.14724   0.00000  Uiso   1.00
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C109   C     0.73987   0.22037   0.24336   0.00000  Uiso   1.00
C164   C     0.68380   0.12140   0.20323   0.00000  Uiso   1.00
C165   C     0.68820   0.14514   0.21858   0.00000  Uiso   1.00
C166   C     0.72958   0.15568   0.19299   0.00000  Uiso   1.00
C167   C     0.72270   0.13494   0.17481   0.00000  Uiso   1.00
C168   C     0.70687   0.06995   0.18667   0.00000  Uiso   1.00
C169   C     0.70334   0.04297   0.18132   0.00000  Uiso   1.00
C170   C     0.68278   0.05633   0.13806   0.00000  Uiso   1.00
C171   C     0.68730   0.08405   0.14503   0.00000  Uiso   1.00
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C179   C     0.88233   0.30126   0.24442   0.00000  Uiso   1.00
C180   C     0.85801   0.28765   0.25010   0.00000  Uiso   1.00
C181   C     0.80673   0.24562   0.21461   0.00000  Uiso   1.00
C182   C     0.78060   0.23248   0.21672   0.00000  Uiso   1.00
C183   C     0.77071   0.26059   0.25620   0.00000  Uiso   1.00
C184   C     0.79521   0.27461   0.25110   0.00000  Uiso   1.00
H82    H     0.65717   0.00625   0.07970   0.00000  Uiso   1.00
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H100   H     0.73572   0.13080   0.15663   0.00000  Uiso   1.00
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H122   H     0.89342   0.31068   0.26140   0.00000  Uiso   1.00
H123   H     0.85270   0.28782   0.27193   0.00000  Uiso   1.00
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H131   H     0.80169   0.29024   0.26518   0.00000  Uiso   1.00
C198   C     0.69987   0.11737   0.18038   0.00000  Uiso   1.00
C202   C     0.84268   0.27723   0.22879   0.00000  Uiso   1.00
C205   C     0.69247   0.03575   0.15553   0.00000  Uiso   1.00
C207   C     0.76323   0.23837   0.23839   0.00000  Uiso   1.00
C210   C     0.69925   0.09117   0.16962   0.00000  Uiso   1.00
C211   C     0.81558   0.26625   0.23197   0.00000  Uiso   1.00
C230   C     0.71015   0.16184   0.21381   0.00000  Uiso   1.00
C235   C     0.70226   0.21064   0.26633   0.00000  Uiso   1.00
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N50    N     0.62593   0.34193   0.35781   0.00000  Uiso   1.00
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C243   C     0.61643   0.31741   0.36383   0.00000  Uiso   1.00
C245   C     0.62491   0.30165   0.32159   0.00000  Uiso   1.00
C248   C     0.60271   0.11728   0.16632   0.00000  Uiso   1.00
C249   C     0.60676   0.16391   0.17421   0.00000  Uiso   1.00
C254   C     0.71935   0.47092   0.28379   0.00000  Uiso   1.00
C255   C     0.67547   0.49226   0.29437   0.00000  Uiso   1.00
C256   C     0.66471   0.46701   0.30351   0.00000  Uiso   1.00
C257   C     0.66222   0.41403   0.33488   0.00000  Uiso   1.00
C258   C     0.64830   0.39051   0.34334   0.00000  Uiso   1.00
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C260   C     0.67548   0.39432   0.29159   0.00000  Uiso   1.00
C261   C     0.56670   0.31141   0.48367   0.00000  Uiso   1.00
C262   C     0.60574   0.33178   0.40830   0.00000  Uiso   1.00
C264   C     0.61125   0.19617   0.24308   0.00000  Uiso   1.00
C265   C     0.60606   0.17704   0.22248   0.00000  Uiso   1.00
C266   C     0.61707   0.21136   0.18945   0.00000  Uiso   1.00
C267   C     0.61691   0.22990   0.21077   0.00000  Uiso   1.00
C268   C     0.62902   0.26921   0.25190   0.00000  Uiso   1.00
C269   C     0.63112   0.28637   0.27322   0.00000  Uiso   1.00
C270   C     0.60971   0.25668   0.30707   0.00000  Uiso   1.00
C271   C     0.60637   0.23814   0.28526   0.00000  Uiso   1.00
C272   C     0.59760   0.32362   0.43601   0.00000  Uiso   1.00
C285   C     0.60502   0.00462   0.23026   0.00000  Uiso   1.00
C286   C     0.59304   0.04250   0.16687   0.00000  Uiso   1.00
C287   C     0.59611   0.06884   0.15681   0.00000  Uiso   1.00
C288   C     0.60312   0.08564   0.20291   0.00000  Uiso   1.00
C289   C     0.60126   0.05796   0.21224   0.00000  Uiso   1.00
C298   C     0.58176   0.26479   0.47590   0.00000  Uiso   1.00
C299   C     0.58550   0.27853   0.41999   0.00000  Uiso   1.00
C309   C     0.59336   0.28640   0.39401   0.00000  Uiso   1.00
C310   C     0.70866   0.44706   0.29402   0.00000  Uiso   1.00
H149   H     0.56334   0.33122   0.47506   0.00000  Uiso   1.00
H154   H     0.66415   0.43150   0.34728   0.00000  Uiso   1.00
H156   H     0.60867   0.18675   0.26232   0.00000  Uiso   1.00
H158   H     0.72210   0.42950   0.29521   0.00000  Uiso   1.00
H160   H     0.60290   0.15746   0.23059   0.00000  Uiso   1.00
H163   H     0.63745   0.39126   0.36132   0.00000  Uiso   1.00
H164   H     0.61907   0.01870   0.24024   0.00000  Uiso   1.00
H165   H     0.61762   0.21933   0.16831   0.00000  Uiso   1.00
H166   H     0.58962   0.02716   0.15185   0.00000  Uiso   1.00
H167   H     0.59534   0.07389   0.13521   0.00000  Uiso   1.00
H168   H     0.61864   0.25034   0.20554   0.00000  Uiso   1.00
H169   H     0.60556   0.10343   0.21788   0.00000  Uiso   1.00
H170   H     0.60602   0.05623   0.23413   0.00000  Uiso   1.00
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H175   H     0.65666   0.35700   0.28330   0.00000  Uiso   1.00
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H180   H     0.73964   0.47037   0.27610   0.00000  Uiso   1.00
H182   H     0.59999   0.25107   0.32585   0.00000  Uiso   1.00
H184   H     0.68332   0.39611   0.27129   0.00000  Uiso   1.00
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H189   H     0.60148   0.33829   0.45340   0.00000  Uiso   1.00
H190   H     0.59242   0.24886   0.46482   0.00000  Uiso   1.00
H193   H     0.57380   0.26025   0.42125   0.00000  Uiso   1.00
H194   H     0.61085   0.15219   0.10947   0.00000  Uiso   1.00
H198   H     0.61392   0.35201   0.40477   0.00000  Uiso   1.00
H205   H     0.64345   0.46662   0.31064   0.00000  Uiso   1.00
H212   H     0.59422   0.27092   0.37721   0.00000  Uiso   1.00
C311   C     0.61826   0.24288   0.25901   0.00000  Uiso   1.00
C312   C     0.64965   0.36887   0.32599   0.00000  Uiso   1.00
C315   C     0.62230   0.28128   0.30116   0.00000  Uiso   1.00
C316   C     0.60041   0.09128   0.17558   0.00000  Uiso   1.00
C317   C     0.70204   0.49407   0.28421   0.00000  Uiso   1.00
C322   C     0.61612   0.22282   0.23848   0.00000  Uiso   1.00
C324   C     0.67455   0.41701   0.30987   0.00000  Uiso   1.00
C325   C     0.61026   0.18420   0.19480   0.00000  Uiso   1.00
C326   C     0.59579   0.03652   0.19471   0.00000  Uiso   1.00
C327   C     0.68109   0.44375   0.30187   0.00000  Uiso   1.00
C330   C     0.59332   0.01059   0.20533   0.00000  Uiso   1.00
C334   C     0.58715   0.29799   0.44028   0.00000  Uiso   1.00
C336   C     0.57715   0.29141   0.46646   0.00000  Uiso   1.00
C337   C     0.60500   0.31136   0.38853   0.00000  Uiso   1.00
C344   C     0.60746   0.14803   0.13105   0.00000  Uiso   1.00
N73    N     0.51000   0.06253   0.14385   0.00000  Uiso   1.00
N74    N     0.50942   0.01730   0.13134   0.00000  Uiso   1.00
N75    N     0.54862   0.04076   0.12448   0.00000  Uiso   1.00
C347   C     0.53485   0.06260   0.13377   0.00000  Uiso   1.00
H222   H     0.54518   0.08148   0.13721   0.00000  Uiso   1.00
H225   H     0.58614   0.01217   0.10093   0.00000  Uiso   1.00
C365   C     0.53480   0.01755   0.12310   0.00000  Uiso   1.00
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N95    N     0.54696   0.27734   0.29143   0.00000  Uiso   1.00
N96    N     0.55451   0.31931   0.31268   0.00000  Uiso   1.00
N97    N     0.56006   0.44277   0.14717   0.00000  Uiso   1.00
N98    N     0.52953   0.41522   0.12532   0.00000  Uiso   1.00
N99    N     0.52631   0.46254   0.12019   0.00000  Uiso   1.00
C464   C     0.53857   0.26799   0.31502   0.00000  Uiso   1.00
C466   C     0.55611   0.30354   0.29105   0.00000  Uiso   1.00
C468   C     0.54793   0.30787   0.33630   0.00000  Uiso   1.00
C469   C     0.55030   0.41891   0.14175   0.00000  Uiso   1.00
C470   C     0.51852   0.43764   0.11391   0.00000  Uiso   1.00
C471   C     0.54801   0.46410   0.13674   0.00000  Uiso   1.00
C480   C     0.55875   0.35135   0.17639   0.00000  Uiso   1.00
C481   C     0.54964   0.37189   0.15866   0.00000  Uiso   1.00
C482   C     0.58423   0.40288   0.17555   0.00000  Uiso   1.00
C483   C     0.59299   0.38271   0.19259   0.00000  Uiso   1.00
C484   C     0.51992   0.20257   0.34747   0.00000  Uiso   1.00
C485   C     0.52355   0.23066   0.34450   0.00000  Uiso   1.00
C486   C     0.58315   0.35529   0.24430   0.00000  Uiso   1.00
C511   C     0.54722   0.37135   0.38055   0.00000  Uiso   1.00
C512   C     0.55148   0.35285   0.35786   0.00000  Uiso   1.00
C513   C     0.53516   0.31393   0.38341   0.00000  Uiso   1.00
C514   C     0.53076   0.33056   0.40688   0.00000  Uiso   1.00
C515   C     0.51534   0.37216   0.44497   0.00000  Uiso   1.00
C516   C     0.51805   0.37864   0.47341   0.00000  Uiso   1.00
C517   C     0.56393   0.39474   0.46451   0.00000  Uiso   1.00
C518   C     0.56196   0.38634   0.43702   0.00000  Uiso   1.00
C525   C     0.57892   0.49316   0.16215   0.00000  Uiso   1.00
C527   C     0.52311   0.22353   0.29571   0.00000  Uiso   1.00
C528   C     0.57440   0.34217   0.26780   0.00000  Uiso   1.00
C529   C     0.51834   0.19585   0.29974   0.00000  Uiso   1.00
C539   C     0.56249   0.30228   0.24214   0.00000  Uiso   1.00
C542   C     0.57278   0.31534   0.21902   0.00000  Uiso   1.00
C543   C     0.50827   0.11860   0.36001   0.00000  Uiso   1.00
C544   C     0.52319   0.14185   0.35149   0.00000  Uiso   1.00
H287   H     0.52906   0.29319   0.38304   0.00000  Uiso   1.00
H288   H     0.52863   0.32250   0.42689   0.00000  Uiso   1.00
H291   H     0.50201   0.37448   0.48750   0.00000  Uiso   1.00
H292   H     0.58273   0.40248   0.47219   0.00000  Uiso   1.00
H294   H     0.57908   0.38730   0.42292   0.00000  Uiso   1.00
H295   H     0.54928   0.33138   0.17510   0.00000  Uiso   1.00
H300   H     0.59347   0.42232   0.17712   0.00000  Uiso   1.00
H304   H     0.50748   0.05016   0.46914   0.00000  Uiso   1.00
H307   H     0.58498   0.47675   0.17411   0.00000  Uiso   1.00
H309   H     0.52628   0.24172   0.36428   0.00000  Uiso   1.00
H310   H     0.58893   0.37702   0.24598   0.00000  Uiso   1.00
H314   H     0.52368   0.22998   0.27394   0.00000  Uiso   1.00
H315   H     0.57420   0.35383   0.28638   0.00000  Uiso   1.00
H316   H     0.50093   0.06747   0.42229   0.00000  Uiso   1.00
H317   H     0.51748   0.18312   0.28122   0.00000  Uiso   1.00
H324   H     0.60765   0.38712   0.20745   0.00000  Uiso   1.00
H336   H     0.55385   0.28267   0.23939   0.00000  Uiso   1.00
H344   H     0.51799   0.11052   0.37847   0.00000  Uiso   1.00
H345   H     0.57436   0.30519   0.19933   0.00000  Uiso   1.00
H349   H     0.53273   0.36677   0.14597   0.00000  Uiso   1.00
H358   H     0.53975   0.14998   0.36505   0.00000  Uiso   1.00
H368   H     0.55224   0.39217   0.38107   0.00000  Uiso   1.00
H370   H     0.51702   0.19542   0.36773   0.00000  Uiso   1.00
H372   H     0.55979   0.36191   0.33846   0.00000  Uiso   1.00
C564   C     0.56287   0.39743   0.15734   0.00000  Uiso   1.00
C565   C     0.58104   0.34240   0.21904   0.00000  Uiso   1.00
C567   C     0.53802   0.35916   0.40469   0.00000  Uiso   1.00
C572   C     0.55811   0.48994   0.14372   0.00000  Uiso   1.00
C575   C     0.56436   0.31550   0.26703   0.00000  Uiso   1.00
C577   C     0.52050   0.18432   0.32594   0.00000  Uiso   1.00
C579   C     0.57916   0.35765   0.19537   0.00000  Uiso   1.00
C580   C     0.51406   0.15678   0.32904   0.00000  Uiso   1.00
C583   C     0.53857   0.37487   0.42829   0.00000  Uiso   1.00
C594   C     0.54371   0.38690   0.48348   0.00000  Uiso   1.00
C596   C     0.54655   0.32485   0.36033   0.00000  Uiso   1.00
C597   C     0.52797   0.24142   0.31807   0.00000  Uiso   1.00
H380   H     0.52043   0.19077   0.47177   0.00000  Uiso   1.00
H381   H     0.54596   0.14792   0.48319   0.00000  Uiso   1.00
H385   H     0.53243   0.11036   0.49420   0.00000  Uiso   1.00
H391   H     0.50168   0.22802   0.43566   0.00000  Uiso   1.00
H396   H     0.53980   0.01348   0.47862   0.00000  Uiso   1.00
N120   N     0.50633   0.23562   0.48258   0.00000  Uiso   1.00
C635   C     0.52450   0.18331   0.49239   0.00000  Uiso   1.00
C644   C     0.53832   0.15963   0.49949   0.00000  Uiso   1.00
N127   N     0.51337   0.19726   0.07280   0.00000  Uiso   1.00
N130   N     0.62010   0.43247   0.05717   0.00000  Uiso   1.00
N131   N     0.59807   0.39607   0.07970   0.00000  Uiso   1.00
N132   N     0.58442   0.40806   0.03696   0.00000  Uiso   1.00
N133   N     0.60501   0.47108   0.25278   0.00000  Uiso   1.00
N134   N     0.59092   0.45147   0.29452   0.00000  Uiso   1.00
N135   N     0.62550   0.43068   0.26747   0.00000  Uiso   1.00
C704   C     0.61788   0.41515   0.07692   0.00000  Uiso   1.00
C705   C     0.50266   0.21815   0.08612   0.00000  Uiso   1.00
C706   C     0.58254   0.39220   0.05816   0.00000  Uiso   1.00
C707   C     0.51046   0.17229   0.08137   0.00000  Uiso   1.00
C708   C     0.60229   0.42879   0.03613   0.00000  Uiso   1.00
C709   C     0.59093   0.47203   0.27543   0.00000  Uiso   1.00
C710   C     0.62320   0.45156   0.24905   0.00000  Uiso   1.00
C712   C     0.52205   0.25136   0.05410   0.00000  Uiso   1.00
C713   C     0.52833   0.27828   0.04638   0.00000  Uiso   1.00
C714   C     0.54498   0.33261   0.08572   0.00000  Uiso   1.00
C715   C     0.50067   0.29272   0.08581   0.00000  Uiso   1.00
C716   C     0.65083   0.46262   0.18035   0.00000  Uiso   1.00
C717   C     0.63803   0.46757   0.20454   0.00000  Uiso   1.00
C718   C     0.65477   0.42421   0.22200   0.00000  Uiso   1.00
C719   C     0.66790   0.41921   0.19656   0.00000  Uiso   1.00
C720   C     0.64664   0.40498   0.14480   0.00000  Uiso   1.00
C721   C     0.63134   0.40106   0.12123   0.00000  Uiso   1.00
C722   C     0.65572   0.43722   0.10096   0.00000  Uiso   1.00
C723   C     0.67053   0.44160   0.12552   0.00000  Uiso   1.00
C730   C     0.62012   0.46964   0.01532   0.00000  Uiso   1.00
C731   C     0.61054   0.49321   0.00129   0.00000  Uiso   1.00
C732   C     0.53044   0.34021   0.03804   0.00000  Uiso   1.00
C734   C     0.54781   0.36193   0.03606   0.00000  Uiso   1.00
C735   C     0.56236   0.35495   0.08311   0.00000  Uiso   1.00
C746   C     0.55063   0.49151   0.29883   0.00000  Uiso   1.00
C754   C     0.56969   0.06203   0.03908   0.00000  Uiso   1.00
C755   C     0.59049   0.04552   0.02770   0.00000  Uiso   1.00
C756   C     0.61509   0.05458   0.01756   0.00000  Uiso   1.00
C757   C     0.62197   0.08218   0.02053   0.00000  Uiso   1.00
C758   C     0.60076   0.09928   0.03000   0.00000  Uiso   1.00
C759   C     0.54127   0.10449   0.07220   0.00000  Uiso   1.00
C760   C     0.52426   0.12431   0.08045   0.00000  Uiso   1.00
C761   C     0.53521   0.15241   0.04253   0.00000  Uiso   1.00
C762   C     0.54914   0.13058   0.03148   0.00000  Uiso   1.00
H439   H     0.51851   0.33272   0.02052   0.00000  Uiso   1.00
H440   H     0.60925   0.41491   0.30492   0.00000  Uiso   1.00
H441   H     0.64135   0.39392   0.16295   0.00000  Uiso   1.00
H443   H     0.54808   0.37504   0.01897   0.00000  Uiso   1.00
H446   H     0.54003   0.28522   0.02838   0.00000  Uiso   1.00
H447   H     0.61542   0.38503   0.12015   0.00000  Uiso   1.00
H452   H     0.65703   0.45008   0.08307   0.00000  Uiso   1.00
H455   H     0.67919   0.46126   0.12682   0.00000  Uiso   1.00
H458   H     0.64966   0.47565   0.16373   0.00000  Uiso   1.00
H462   H     0.57399   0.35942   0.10083   0.00000  Uiso   1.00
H465   H     0.55238   0.47545   0.31438   0.00000  Uiso   1.00
H467   H     0.62879   0.48767   0.20660   0.00000  Uiso   1.00
H475   H     0.53215   0.23453   0.04490   0.00000  Uiso   1.00
H478   H     0.54913   0.05551   0.04719   0.00000  Uiso   1.00
H479   H     0.65736   0.41170   0.24011   0.00000  Uiso   1.00
H480   H     0.58814   0.02343   0.02870   0.00000  Uiso   1.00
H482   H     0.62961   0.04020   0.00938   0.00000  Uiso   1.00
H483   H     0.64253   0.08933   0.01584   0.00000  Uiso   1.00
H484   H     0.54654   0.32050   0.10311   0.00000  Uiso   1.00
H485   H     0.60247   0.12064   0.03048   0.00000  Uiso   1.00
H486   H     0.63606   0.47100   0.03103   0.00000  Uiso   1.00
H487   H     0.54104   0.08454   0.08206   0.00000  Uiso   1.00
H488   H     0.67813   0.40020   0.19241   0.00000  Uiso   1.00
H489   H     0.51336   0.12357   0.09873   0.00000  Uiso   1.00
H491   H     0.53685   0.17192   0.03209   0.00000  Uiso   1.00
H492   H     0.55816   0.13601   0.01109   0.00000  Uiso   1.00
C763   C     0.51804   0.29906   0.06432   0.00000  Uiso   1.00
C766   C     0.66367   0.43729   0.17584   0.00000  Uiso   1.00
C767   C     0.56877   0.49077   0.27699   0.00000  Uiso   1.00
C769   C     0.63409   0.41813   0.09914   0.00000  Uiso   1.00
C770   C     0.66375   0.42738   0.14878   0.00000  Uiso   1.00
C771   C     0.60192   0.44710   0.01409   0.00000  Uiso   1.00
C772   C     0.56450   0.36970   0.05817   0.00000  Uiso   1.00
C775   C     0.57530   0.08979   0.03865   0.00000  Uiso   1.00
C776   C     0.63815   0.44832   0.22564   0.00000  Uiso   1.00
C777   C     0.52933   0.32501   0.06255   0.00000  Uiso   1.00
C778   C     0.52346   0.15004   0.06797   0.00000  Uiso   1.00
C779   C     0.50685   0.24538   0.07722   0.00000  Uiso   1.00
C783   C     0.55511   0.10877   0.04714   0.00000  Uiso   1.00
C785   C     0.60925   0.43172   0.29062   0.00000  Uiso   1.00
N169   N     0.72798   0.04932   0.06706   0.00000  Uiso   1.00
N170   N     0.74077   0.08259   0.09749   0.00000  Uiso   1.00
N171   N     0.74911   0.03677   0.10624   0.00000  Uiso   1.00
N175   N     0.72619   0.41314   0.10521   0.00000  Uiso   1.00
N176   N     0.75622   0.39719   0.13780   0.00000  Uiso   1.00
N177   N     0.72878   0.36644   0.11513   0.00000  Uiso   1.00
C874   C     0.73783   0.03057   0.08236   0.00000  Uiso   1.00
C876   C     0.74475   0.41844   0.12442   0.00000  Uiso   1.00
C929   C     0.77825   0.47915   0.15427   0.00000  Uiso   1.00
C930   C     0.77250   0.45187   0.14776   0.00000  Uiso   1.00
C931   C     0.74406   0.46616   0.11176   0.00000  Uiso   1.00
C932   C     0.75089   0.49411   0.11648   0.00000  Uiso   1.00
H543   H     0.71047   0.01198   0.03920   0.00000  Uiso   1.00
H586   H     0.79213   0.48511   0.17070   0.00000  Uiso   1.00
H588   H     0.78187   0.43453   0.15949   0.00000  Uiso   1.00
H590   H     0.73136   0.46270   0.09422   0.00000  Uiso   1.00
H599   H     0.71767   0.08974   0.06288   0.00000  Uiso   1.00
H601   H     0.76273   0.06701   0.13102   0.00000  Uiso   1.00
H608   H     0.70107   0.38400   0.08725   0.00000  Uiso   1.00
H612   H     0.75426   0.35674   0.14625   0.00000  Uiso   1.00
C942   C     0.75475   0.44494   0.12775   0.00000  Uiso   1.00
C968   C     0.73528   0.00341   0.07398   0.00000  Uiso   1.00
C978   C     0.74684   0.37270   0.13339   0.00000  Uiso   1.00
C979   C     0.72785   0.07483   0.07542   0.00000  Uiso   1.00
C980   C     0.75073   0.06208   0.11322   0.00000  Uiso   1.00
C981   C     0.71744   0.38795   0.10201   0.00000  Uiso   1.00
N178   N     0.84366   0.39192   0.23918   0.00000  Uiso   1.00
N179   N     0.83877   0.37761   0.19456   0.00000  Uiso   1.00
N180   N     0.81674   0.35586   0.23017   0.00000  Uiso   1.00
N181   N     0.69699   0.43995   0.38727   0.00000  Uiso   1.00
N182   N     0.66761   0.43046   0.42157   0.00000  Uiso   1.00
N183   N     0.70274   0.39998   0.41368   0.00000  Uiso   1.00
C982   C     0.82521   0.35732   0.20394   0.00000  Uiso   1.00
C983   C     0.67563   0.44630   0.40170   0.00000  Uiso   1.00
C984   C     0.84928   0.39438   0.21327   0.00000  Uiso   1.00
C985   C     0.68165   0.40888   0.42873   0.00000  Uiso   1.00
C986   C     0.82508   0.37382   0.24739   0.00000  Uiso   1.00
C987   C     0.70904   0.41658   0.39419   0.00000  Uiso   1.00
C1004  C     0.81255   0.40005   0.31702   0.00000  Uiso   1.00
C1005  C     0.82626   0.39436   0.29175   0.00000  Uiso   1.00
C1015  C     0.88603   0.44118   0.16302   0.00000  Uiso   1.00
C1016  C     0.86913   0.42033   0.17358   0.00000  Uiso   1.00
C1017  C     0.87682   0.43606   0.21925   0.00000  Uiso   1.00
C1018  C     0.89403   0.45644   0.20875   0.00000  Uiso   1.00
C1019  C     0.93822   0.48996   0.18295   0.00000  Uiso   1.00
C1022  C     0.90622   0.49311   0.14620   0.00000  Uiso   1.00
C1031  C     0.79766   0.35413   0.28485   0.00000  Uiso   1.00
C1032  C     0.66850   0.48537   0.37193   0.00000  Uiso   1.00
C1033  C     0.78705   0.35799   0.31137   0.00000  Uiso   1.00
C1034  C     0.63774   0.47859   0.41004   0.00000  Uiso   1.00
C1043  C     0.77067   0.37905   0.36903   0.00000  Uiso   1.00
C1050  C     0.63811   0.38370   0.48390   0.00000  Uiso   1.00
C1051  C     0.64881   0.39876   0.46290   0.00000  Uiso   1.00
C1052  C     0.68368   0.36744   0.45766   0.00000  Uiso   1.00
C1053  C     0.67710   0.35474   0.48250   0.00000  Uiso   1.00
C1063  C     0.74995   0.38692   0.38615   0.00000  Uiso   1.00
C1081  C     0.73964   0.42581   0.35707   0.00000  Uiso   1.00
C1083  C     0.75991   0.41709   0.33925   0.00000  Uiso   1.00
C1093  C     0.76918   0.29869   0.10709   0.00000  Uiso   1.00
C1094  C     0.75140   0.28862   0.08728   0.00000  Uiso   1.00
C1095  C     0.73701   0.26442   0.09196   0.00000  Uiso   1.00
C1096  C     0.74156   0.25049   0.11662   0.00000  Uiso   1.00
C1097  C     0.75971   0.25994   0.13619   0.00000  Uiso   1.00
C1098  C     0.78369   0.29899   0.17726   0.00000  Uiso   1.00
C1099  C     0.79666   0.31705   0.19562   0.00000  Uiso   1.00
C1100  C     0.82191   0.33587   0.15890   0.00000  Uiso   1.00
C1101  C     0.81094   0.31601   0.14220   0.00000  Uiso   1.00
H617   H     0.86894   0.43829   0.23978   0.00000  Uiso   1.00
H619   H     0.63031   0.46665   0.42759   0.00000  Uiso   1.00
H622   H     0.78207   0.36114   0.37112   0.00000  Uiso   1.00
H623   H     0.90203   0.47132   0.22267   0.00000  Uiso   1.00
H627   H     0.94560   0.48095   0.20200   0.00000  Uiso   1.00
H632   H     0.62072   0.39103   0.49494   0.00000  Uiso   1.00
H633   H     0.63997   0.41717   0.45420   0.00000  Uiso   1.00
H635   H     0.70220   0.35902   0.44832   0.00000  Uiso   1.00
H637   H     0.69067   0.33778   0.48917   0.00000  Uiso   1.00
H638   H     0.88611   0.48971   0.13708   0.00000  Uiso   1.00
H652   H     0.76146   0.42825   0.31878   0.00000  Uiso   1.00
H654   H     0.74553   0.37380   0.40319   0.00000  Uiso   1.00
H663   H     0.81865   0.41766   0.32771   0.00000  Uiso   1.00
H676   H     0.84152   0.40873   0.28621   0.00000  Uiso   1.00
H686   H     0.72823   0.44294   0.35077   0.00000  Uiso   1.00
H688   H     0.78941   0.33740   0.27141   0.00000  Uiso   1.00
H689   H     0.68856   0.48081   0.36179   0.00000  Uiso   1.00
H694   H     0.77052   0.34543   0.31678   0.00000  Uiso   1.00
H705   H     0.77841   0.31872   0.10232   0.00000  Uiso   1.00
H706   H     0.88933   0.44229   0.14144   0.00000  Uiso   1.00
H707   H     0.75336   0.29762   0.06660   0.00000  Uiso   1.00
H709   H     0.72230   0.25669   0.07756   0.00000  Uiso   1.00
H711   H     0.73102   0.23143   0.12013   0.00000  Uiso   1.00
H713   H     0.76464   0.24855   0.15534   0.00000  Uiso   1.00
H714   H     0.76907   0.28507   0.18509   0.00000  Uiso   1.00
H715   H     0.85779   0.40699   0.16031   0.00000  Uiso   1.00
H716   H     0.79107   0.31618   0.21764   0.00000  Uiso   1.00
H718   H     0.84005   0.34707   0.15377   0.00000  Uiso   1.00
H719   H     0.82084   0.31281   0.12196   0.00000  Uiso   1.00
C1105  C     0.65396   0.36296   0.49611   0.00000  Uiso   1.00
C1110  C     0.66046   0.46978   0.39500   0.00000  Uiso   1.00
C1112  C     0.91528   0.48085   0.16989   0.00000  Uiso   1.00
C1124  C     0.73309   0.40942   0.37910   0.00000  Uiso   1.00
C1128  C     0.89865   0.45987   0.18071   0.00000  Uiso   1.00
C1130  C     0.67176   0.39167   0.44909   0.00000  Uiso   1.00
C1132  C     0.81847   0.37392   0.27475   0.00000  Uiso   1.00
C1135  C     0.77447   0.28398   0.13116   0.00000  Uiso   1.00
C1139  C     0.81360   0.33827   0.18638   0.00000  Uiso   1.00
C1141  C     0.79138   0.38359   0.32405   0.00000  Uiso   1.00
C1142  C     0.86549   0.41672   0.20275   0.00000  Uiso   1.00
C1143  C     0.77485   0.39396   0.34462   0.00000  Uiso   1.00
C1144  C     0.79025   0.29860   0.15016   0.00000  Uiso   1.00
H720   H     0.67359   0.12841   0.06279   0.00000  Uiso   1.00
H726   H     0.61701   0.15526   0.00624   0.00000  Uiso   1.00
H727   H     0.61301   0.22883   0.04806   0.00000  Uiso   1.00
H728   H     0.58072   0.24518   0.01693   0.00000  Uiso   1.00
H729   H     0.67714   0.23398   0.20046   0.00000  Uiso   1.00
H730   H     0.68993   0.26747   0.23886   0.00000  Uiso   1.00
H731   H     0.71979   0.32316   0.17527   0.00000  Uiso   1.00
H732   H     0.70218   0.29295   0.14242   0.00000  Uiso   1.00
H733   H     0.66186   0.27435   0.12054   0.00000  Uiso   1.00
H734   H     0.64735   0.24195   0.08639   0.00000  Uiso   1.00
H735   H     0.68458   0.17575   0.13024   0.00000  Uiso   1.00
H736   H     0.69690   0.20893   0.16910   0.00000  Uiso   1.00
H738   H     0.74471   0.47734   0.21608   0.00000  Uiso   1.00
H740   H     0.84310   0.48213   0.22792   0.00000  Uiso   1.00
H741   H     0.81994   0.43901   0.23391   0.00000  Uiso   1.00
H742   H     0.75199   0.43004   0.19023   0.00000  Uiso   1.00
H743   H     0.73241   0.38182   0.19521   0.00000  Uiso   1.00
H744   H     0.74825   0.38617   0.28311   0.00000  Uiso   1.00
H745   H     0.77684   0.43033   0.27341   0.00000  Uiso   1.00
H747   H     0.69592   0.34160   0.37012   0.00000  Uiso   1.00
H748   H     0.71189   0.35402   0.32758   0.00000  Uiso   1.00
H749   H     0.69248   0.27654   0.28908   0.00000  Uiso   1.00
H750   H     0.67842   0.25975   0.33353   0.00000  Uiso   1.00
H751   H     0.67177   0.32771   0.39850   0.00000  Uiso   1.00
H752   H     0.66680   0.31301   0.44964   0.00000  Uiso   1.00
H753   H     0.68080   0.23225   0.42267   0.00000  Uiso   1.00
H754   H     0.68608   0.24435   0.37739   0.00000  Uiso   1.00
H758   H     0.51097   0.43942   0.02566   0.00000  Uiso   1.00
H776   H     0.59457   0.48155   0.06569   0.00000  Uiso   1.00
H777   H     0.54731   0.47697   0.05007   0.00000  Uiso   1.00
H780   H     0.62217   0.49257   0.09309   0.00000  Uiso   1.00
H781   H     0.67344   0.49269   0.09608   0.00000  Uiso   1.00
N202   N     0.66827   0.16367   0.08634   0.00000  Uiso   1.00
N207   N     0.66653   0.23738   0.47309   0.00000  Uiso   1.00
N208   N     0.65542   0.28251   0.48218   0.00000  Uiso   1.00
N209   N     0.64411   0.19778   0.06592   0.00000  Uiso   1.00
N211   N     0.50591   0.48786   0.02906   0.00000  Uiso   1.00
N213   N     0.71860   0.35019   0.27063   0.00000  Uiso   1.00
N214   N     0.71776   0.34024   0.22462   0.00000  Uiso   1.00
N215   N     0.70225   0.31033   0.25747   0.00000  Uiso   1.00
N222   N     0.64930   0.15590   0.04339   0.00000  Uiso   1.00
C1151  C     0.65854   0.18817   0.08609   0.00000  Uiso   1.00
C1152  C     0.66399   0.26364   0.46516   0.00000  Uiso   1.00
C1153  C     0.64041   0.18164   0.04494   0.00000  Uiso   1.00
C1156  C     0.72462   0.35729   0.24504   0.00000  Uiso   1.00
C1157  C     0.70950   0.31602   0.23218   0.00000  Uiso   1.00
C1158  C     0.70701   0.32682   0.27776   0.00000  Uiso   1.00
C1163  C     0.65766   0.23130   0.49801   0.00000  Uiso   1.00
C1166  C     0.66376   0.14791   0.06475   0.00000  Uiso   1.00
C1172  C     0.66927   0.29891   0.43153   0.00000  Uiso   1.00
C1173  C     0.75154   0.41934   0.20999   0.00000  Uiso   1.00
C1174  C     0.68441   0.25472   0.19598   0.00000  Uiso   1.00
C1175  C     0.60893   0.21698   0.03027   0.00000  Uiso   1.00
C1176  C     0.71013   0.30489   0.18365   0.00000  Uiso   1.00
C1178  C     0.66789   0.25340   0.12452   0.00000  Uiso   1.00
C1180  C     0.74002   0.39248   0.21300   0.00000  Uiso   1.00
C1182  C     0.65748   0.23402   0.10463   0.00000  Uiso   1.00
C1187  C     0.67851   0.19719   0.13096   0.00000  Uiso   1.00
C1189  C     0.70208   0.33468   0.32778   0.00000  Uiso   1.00
C1191  C     0.68667   0.21539   0.15107   0.00000  Uiso   1.00
C1194  C     0.74911   0.39518   0.26128   0.00000  Uiso   1.00
C1197  C     0.59045   0.22642   0.01121   0.00000  Uiso   1.00
C1199  C     0.69378   0.29005   0.30789   0.00000  Uiso   1.00
C1201  C     0.76583   0.41958   0.25685   0.00000  Uiso   1.00
C1203  C     0.69507   0.27138   0.21708   0.00000  Uiso   1.00
C1205  C     0.82162   0.48220   0.22485   0.00000  Uiso   1.00
C1207  C     0.68499   0.28175   0.33268   0.00000  Uiso   1.00
C1209  C     0.69400   0.32597   0.35447   0.00000  Uiso   1.00
C1210  C     0.67689   0.25265   0.41880   0.00000  Uiso   1.00
C1211  C     0.80871   0.45638   0.22863   0.00000  Uiso   1.00
C1212  C     0.67344   0.30660   0.40412   0.00000  Uiso   1.00
C1213  C     0.67911   0.26012   0.39196   0.00000  Uiso   1.00
C1214  C     0.69659   0.28867   0.16309   0.00000  Uiso   1.00
C1215  C     0.58203   0.49981   0.06233   0.00000  Uiso   1.00
C1216  C     0.55662   0.49667   0.05160   0.00000  Uiso   1.00
C1221  C     0.76615   0.47885   0.22019   0.00000  Uiso   1.00
C1226  C     0.61312   0.17653   0.00485   0.00000  Uiso   1.00
C1229  C     0.68688   0.29815   0.35739   0.00000  Uiso   1.00
C1232  C     0.78073   0.45562   0.22801   0.00000  Uiso   1.00
C1235  C     0.67833   0.28788   0.38322   0.00000  Uiso   1.00
C1236  C     0.73752   0.38231   0.23910   0.00000  Uiso   1.00
C1237  C     0.70074   0.31767   0.30443   0.00000  Uiso   1.00
C1241  C     0.67094   0.27126   0.43837   0.00000  Uiso   1.00
C1242  C     0.70662   0.29718   0.21134   0.00000  Uiso   1.00
C1245  C     0.68705   0.26233   0.16864   0.00000  Uiso   1.00
C1246  C     0.68243   0.24357   0.14761   0.00000  Uiso   1.00
C1247  C     0.62183   0.19154   0.02669   0.00000  Uiso   1.00
C1248  C     0.66433   0.20657   0.10784   0.00000  Uiso   1.00
C1249  C     0.76600   0.43279   0.23256   0.00000  Uiso   1.00
N266   N     0.71184   0.37960   0.03910   0.00000  Uiso   1.00
N267   N     0.72120   0.33582   0.02388   0.00000  Uiso   1.00
C1462  C     0.71416   0.38819   0.01332   0.00000  Uiso   1.00
C1478  C     0.70196   0.46189   0.02135   0.00000  Uiso   1.00
C1479  C     0.70401   0.43405   0.02975   0.00000  Uiso   1.00
H935   H     0.69406   0.47713   0.03680   0.00000  Uiso   1.00
H938   H     0.69815   0.42841   0.04883   0.00000  Uiso   1.00
H961   H     0.71912   0.34406   0.06322   0.00000  Uiso   1.00
C1519  C     0.71308   0.41555   0.00819   0.00000  Uiso   1.00
C1536  C     0.71752   0.35291   0.04283   0.00000  Uiso   1.00
N289   N     0.59455   0.28742   0.10854   0.00000  Uiso   1.00
N290   N     0.59515   0.29633   0.15487   0.00000  Uiso   1.00
N291   N     0.61746   0.32419   0.12593   0.00000  Uiso   1.00
C1559  C     0.60965   0.30917   0.10502   0.00000  Uiso   1.00
C1605  C     0.61700   0.30884   0.03123   0.00000  Uiso   1.00
C1606  C     0.61414   0.29868   0.05765   0.00000  Uiso   1.00
C1607  C     0.63319   0.34057   0.07231   0.00000  Uiso   1.00
C1608  C     0.63612   0.35109   0.04613   0.00000  Uiso   1.00
H973   H     0.60933   0.29698   0.01459   0.00000  Uiso   1.00
H975   H     0.60298   0.28039   0.06034   0.00000  Uiso   1.00
H977   H     0.63794   0.35469   0.08830   0.00000  Uiso   1.00
H978   H     0.64423   0.36968   0.04143   0.00000  Uiso   1.00
H980   H     0.63102   0.38505   0.00248   0.00000  Uiso   1.00
H1012  H     0.57625   0.26278   0.13934   0.00000  Uiso   1.00
H1014  H     0.61640   0.33208   0.16602   0.00000  Uiso   1.00
C1686  C     0.62756   0.33419   0.02395   0.00000  Uiso   1.00
C1689  C     0.62059   0.31512   0.07990   0.00000  Uiso   1.00
C1709  C     0.60946   0.31845   0.15062   0.00000  Uiso   1.00
C1713  C     0.58801   0.28078   0.13399   0.00000  Uiso   1.00
N19    N     0.40650   0.96136   0.24126   0.00000  Uiso   1.00
N20    N     0.44540   0.97925   0.22178   0.00000  Uiso   1.00
C8     C     0.42884   0.95896   0.22614   0.00000  Uiso   1.00
C9     C     0.40176   0.98522   0.25357   0.00000  Uiso   1.00
H53    H     0.38290   0.98732   0.26515   0.00000  Uiso   1.00
C306   C     0.48717   0.76529   0.15067   0.00000  Uiso   1.00
C307   C     0.48473   0.79268   0.14274   0.00000  Uiso   1.00
C308   C     0.49802   0.81323   0.15748   0.00000  Uiso   1.00
H204   H     0.47413   0.75061   0.14121   0.00000  Uiso   1.00
H206   H     0.47406   0.79714   0.12381   0.00000  Uiso   1.00
H208   H     0.49454   0.83499   0.15303   0.00000  Uiso   1.00
N70    N     0.25476   0.99438   0.18422   0.00000  Uiso   1.00
N72    N     0.29999   0.98816   0.19546   0.00000  Uiso   1.00
N76    N     0.22121   0.77623   0.16323   0.00000  Uiso   1.00
N77    N     0.26778   0.77299   0.15395   0.00000  Uiso   1.00
N78    N     0.23570   0.74178   0.13597   0.00000  Uiso   1.00
N83    N     0.00801   0.74395   0.09774   0.00000  Uiso   1.00
N84    N     0.02916   0.74032   0.05534   0.00000  Uiso   1.00
N85    N     0.38724   0.60642   0.05021   0.00000  Uiso   1.00
N86    N     0.40982   0.61897   0.09051   0.00000  Uiso   1.00
N87    N     0.41928   0.57781   0.07063   0.00000  Uiso   1.00
C349   C     0.00487   0.73874   0.04403   0.00000  Uiso   1.00
C350   C     0.42306   0.59536   0.09040   0.00000  Uiso   1.00
H214   H     0.22130   0.90570   0.19009   0.00000  Uiso   1.00
H215   H     0.22467   0.95131   0.18790   0.00000  Uiso   1.00
H216   H     0.31258   0.94198   0.20365   0.00000  Uiso   1.00
H217   H     0.30583   0.89307   0.20653   0.00000  Uiso   1.00
H218   H     0.30077   0.85842   0.18315   0.00000  Uiso   1.00
H219   H     0.29524   0.81106   0.16787   0.00000  Uiso   1.00
H220   H     0.21029   0.81721   0.19040   0.00000  Uiso   1.00
H221   H     0.21702   0.86606   0.20445   0.00000  Uiso   1.00
H232   H     0.39471   0.99413   0.19099   0.00000  Uiso   1.00
H233   H     0.12276   0.77137   0.15347   0.00000  Uiso   1.00
H234   H     0.16952   0.78054   0.16623   0.00000  Uiso   1.00
H235   H     0.19596   0.71335   0.11910   0.00000  Uiso   1.00
H236   H     0.15039   0.70080   0.11058   0.00000  Uiso   1.00
H237   H     0.12436   0.73394   0.08044   0.00000  Uiso   1.00
H238   H     0.07820   0.74306   0.05921   0.00000  Uiso   1.00
H239   H     0.04192   0.74268   0.13588   0.00000  Uiso   1.00
H240   H     0.08554   0.73431   0.15788   0.00000  Uiso   1.00
H241   H     0.34967   0.98377   0.20463   0.00000  Uiso   1.00
H253   H     0.28863   0.68607   0.07725   0.00000  Uiso   1.00
H254   H     0.25442   0.70905   0.10669   0.00000  Uiso   1.00
H255   H     0.31165   0.76113   0.13876   0.00000  Uiso   1.00
H256   H     0.34827   0.74316   0.11166   0.00000  Uiso   1.00
H257   H     0.36883   0.69999   0.11739   0.00000  Uiso   1.00
H258   H     0.39653   0.66183   0.10847   0.00000  Uiso   1.00
H259   H     0.34899   0.63805   0.04105   0.00000  Uiso   1.00
H260   H     0.31845   0.67758   0.04769   0.00000  Uiso   1.00
H261   H     0.00197   0.73175   0.02387   0.00000  Uiso   1.00
H265   H     0.43704   0.59122   0.10609   0.00000  Uiso   1.00
H280   H     0.36653   0.58790   0.01300   0.00000  Uiso   1.00
H281   H     0.42912   0.53552   0.04104   0.00000  Uiso   1.00
H282   H     0.41327   0.50036   0.01108   0.00000  Uiso   1.00
H283   H     0.41902   0.99218   0.14767   0.00000  Uiso   1.00
H286   H     0.46611   0.99430   0.14092   0.00000  Uiso   1.00
C355   C     0.27442   0.97846   0.19285   0.00000  Uiso   1.00
C356   C     0.24773   0.78443   0.16641   0.00000  Uiso   1.00
C358   C     0.03040   0.74266   0.08284   0.00000  Uiso   1.00
C359   C     0.26113   0.75097   0.13883   0.00000  Uiso   1.00
C360   C     0.39075   0.62385   0.07147   0.00000  Uiso   1.00
C361   C     0.21646   0.75404   0.14920   0.00000  Uiso   1.00
C362   C     0.40283   0.58352   0.05001   0.00000  Uiso   1.00
C373   C     0.23022   0.82620   0.18913   0.00000  Uiso   1.00
C376   C     0.29528   0.70329   0.08986   0.00000  Uiso   1.00
C377   C     0.28806   0.90552   0.20350   0.00000  Uiso   1.00
C378   C     0.27504   0.71638   0.10500   0.00000  Uiso   1.00
C379   C     0.30777   0.74727   0.12223   0.00000  Uiso   1.00
C381   C     0.32759   0.73574   0.10636   0.00000  Uiso   1.00
C382   C     0.23346   0.85433   0.19581   0.00000  Uiso   1.00
C383   C     0.36437   0.68829   0.09841   0.00000  Uiso   1.00
C385   C     0.38011   0.66461   0.09492   0.00000  Uiso   1.00
C386   C     0.35366   0.65403   0.05599   0.00000  Uiso   1.00
C387   C     0.33683   0.67654   0.05971   0.00000  Uiso   1.00
C389   C     0.27800   0.82275   0.17618   0.00000  Uiso   1.00
C392   C     0.29195   0.93397   0.20286   0.00000  Uiso   1.00
C400   C     0.13813   0.75638   0.14859   0.00000  Uiso   1.00
C403   C     0.16663   0.76109   0.15646   0.00000  Uiso   1.00
C407   C     0.18115   0.72571   0.12739   0.00000  Uiso   1.00
C410   C     0.15403   0.71794   0.12344   0.00000  Uiso   1.00
C415   C     0.10414   0.73491   0.09210   0.00000  Uiso   1.00
C417   C     0.24384   0.94053   0.19150   0.00000  Uiso   1.00
C419   C     0.07953   0.73982   0.07987   0.00000  Uiso   1.00
C421   C     0.28097   0.84975   0.18566   0.00000  Uiso   1.00
C422   C     0.38023   0.57147   0.00947   0.00000  Uiso   1.00
C423   C     0.41375   0.53990   0.02573   0.00000  Uiso   1.00
C424   C     0.05935   0.74227   0.12353   0.00000  Uiso   1.00
C425   C     0.40649   0.52050   0.00603   0.00000  Uiso   1.00
C427   C     0.08394   0.73474   0.13603   0.00000  Uiso   1.00
C430   C     0.24178   0.91207   0.19371   0.00000  Uiso   1.00
C436   C     0.13210   0.73468   0.13171   0.00000  Uiso   1.00
C437   C     0.34167   0.69490   0.08164   0.00000  Uiso   1.00
C438   C     0.32134   0.71228   0.09163   0.00000  Uiso   1.00
C441   C     0.26282   0.89395   0.19904   0.00000  Uiso   1.00
C445   C     0.28135   0.73829   0.12260   0.00000  Uiso   1.00
C448   C     0.05615   0.74267   0.09541   0.00000  Uiso   1.00
C449   C     0.39928   0.56448   0.02876   0.00000  Uiso   1.00
C451   C     0.26955   0.95071   0.19682   0.00000  Uiso   1.00
C452   C     0.18798   0.74734   0.14455   0.00000  Uiso   1.00
C453   C     0.37492   0.64776   0.07321   0.00000  Uiso   1.00
C455   C     0.25243   0.81016   0.17887   0.00000  Uiso   1.00
C460   C     0.10608   0.73179   0.12024   0.00000  Uiso   1.00
C461   C     0.25951   0.86573   0.19483   0.00000  Uiso   1.00
N109   N     0.21362   0.98194   0.25224   0.00000  Uiso   1.00
N111   N     0.25775   0.96907   0.26744   0.00000  Uiso   1.00
C478   C     0.26432   0.99490   0.26682   0.00000  Uiso   1.00
C495   C     0.33713   0.99253   0.29324   0.00000  Uiso   1.00
C496   C     0.31043   0.98509   0.28494   0.00000  Uiso   1.00
C554   C     0.26017   0.51520   0.05835   0.00000  Uiso   1.00
C558   C     0.18974   0.53255   0.04381   0.00000  Uiso   1.00
C559   C     0.16985   0.54989   0.05518   0.00000  Uiso   1.00
C560   C     0.17651   0.57043   0.07281   0.00000  Uiso   1.00
C561   C     0.20326   0.57508   0.08108   0.00000  Uiso   1.00
C562   C     0.22283   0.55853   0.06825   0.00000  Uiso   1.00
H293   H     0.34908   0.97548   0.30151   0.00000  Uiso   1.00
H297   H     0.30497   0.96335   0.28653   0.00000  Uiso   1.00
H337   H     0.22713   0.94213   0.26248   0.00000  Uiso   1.00
H353   H     0.45374   0.97966   0.49198   0.00000  Uiso   1.00
H363   H     0.26461   0.52969   0.07490   0.00000  Uiso   1.00
H367   H     0.21290   0.50088   0.01016   0.00000  Uiso   1.00
H369   H     0.18261   0.51382   0.03273   0.00000  Uiso   1.00
H371   H     0.14918   0.54792   0.04935   0.00000  Uiso   1.00
H373   H     0.16111   0.58321   0.08031   0.00000  Uiso   1.00
H374   H     0.20916   0.59001   0.09595   0.00000  Uiso   1.00
H376   H     0.24368   0.56372   0.07212   0.00000  Uiso   1.00
C591   C     0.23617   0.51823   0.04314   0.00000  Uiso   1.00
C599   C     0.21682   0.53710   0.05024   0.00000  Uiso   1.00
C604   C     0.23183   0.96317   0.26030   0.00000  Uiso   1.00
H400   H     0.49547   0.87562   0.43122   0.00000  Uiso   1.00
H402   H     0.44313   0.84066   0.37425   0.00000  Uiso   1.00
H427   H     0.41614   0.52794   0.24579   0.00000  Uiso   1.00
H428   H     0.46029   0.50910   0.26239   0.00000  Uiso   1.00
H430   H     0.47703   0.87436   0.20595   0.00000  Uiso   1.00
H431   H     0.48156   0.89263   0.16153   0.00000  Uiso   1.00
H432   H     0.48978   0.94388   0.15387   0.00000  Uiso   1.00
H435   H     0.45417   0.87925   0.24937   0.00000  Uiso   1.00
H436   H     0.45305   0.86606   0.29468   0.00000  Uiso   1.00
N116   N     0.45956   0.86461   0.34565   0.00000  Uiso   1.00
N118   N     0.47625   0.86702   0.38960   0.00000  Uiso   1.00
N119   N     0.49414   0.89473   0.35628   0.00000  Uiso   1.00
C607   C     0.49199   0.88707   0.38135   0.00000  Uiso   1.00
C608   C     0.47858   0.88267   0.33810   0.00000  Uiso   1.00
C618   C     0.45842   0.85710   0.37162   0.00000  Uiso   1.00
C658   C     0.42207   0.50672   0.24143   0.00000  Uiso   1.00
C662   C     0.48410   0.89622   0.20405   0.00000  Uiso   1.00
C664   C     0.48559   0.90687   0.17776   0.00000  Uiso   1.00
C666   C     0.49063   0.93515   0.17362   0.00000  Uiso   1.00
C668   C     0.49762   0.95082   0.19550   0.00000  Uiso   1.00
C671   C     0.46891   0.88886   0.26225   0.00000  Uiso   1.00
C673   C     0.46728   0.88183   0.29000   0.00000  Uiso   1.00
C692   C     0.49346   0.91262   0.22607   0.00000  Uiso   1.00
C697   C     0.48390   0.89150   0.31077   0.00000  Uiso   1.00
C702   C     0.49056   0.90544   0.25456   0.00000  Uiso   1.00
C749   C     0.48956   0.55100   0.25501   0.00000  Uiso   1.00
C750   C     0.46723   0.56861   0.25359   0.00000  Uiso   1.00
C751   C     0.45602   0.57966   0.27701   0.00000  Uiso   1.00
C752   C     0.46951   0.57563   0.30204   0.00000  Uiso   1.00
C753   C     0.49035   0.55635   0.30419   0.00000  Uiso   1.00
H470   H     0.49820   0.54105   0.23751   0.00000  Uiso   1.00
H471   H     0.45763   0.57222   0.23364   0.00000  Uiso   1.00
H473   H     0.43804   0.59270   0.27602   0.00000  Uiso   1.00
H474   H     0.46158   0.58655   0.31980   0.00000  Uiso   1.00
H476   H     0.49969   0.55553   0.32371   0.00000  Uiso   1.00
N148   N     0.45247   0.94757   0.08933   0.00000  Uiso   1.00
N149   N     0.49231   0.93476   0.06505   0.00000  Uiso   1.00
N150   N     0.47180   0.90312   0.09249   0.00000  Uiso   1.00
N151   N     0.38150   0.91049   0.32712   0.00000  Uiso   1.00
N152   N     0.36437   0.91961   0.28394   0.00000  Uiso   1.00
N153   N     0.39661   0.88582   0.29032   0.00000  Uiso   1.00
C793   C     0.49194   0.91088   0.07694   0.00000  Uiso   1.00
C794   C     0.45298   0.92181   0.09906   0.00000  Uiso   1.00
C795   C     0.38149   0.90102   0.27409   0.00000  Uiso   1.00
C818   C     0.00822   0.81867   0.14632   0.00000  Uiso   1.00
C819   C     0.03217   0.80293   0.14519   0.00000  Uiso   1.00
C820   C     0.05114   0.80487   0.16504   0.00000  Uiso   1.00
C821   C     0.05002   0.82699   0.18285   0.00000  Uiso   1.00
C822   C     0.02579   0.84276   0.18465   0.00000  Uiso   1.00
C827   C     0.36980   0.91035   0.20042   0.00000  Uiso   1.00
C828   C     0.36760   0.91303   0.22854   0.00000  Uiso   1.00
C829   C     0.40205   0.87702   0.23582   0.00000  Uiso   1.00
C830   C     0.40727   0.87813   0.20698   0.00000  Uiso   1.00
C831   C     0.41314   0.88073   0.14599   0.00000  Uiso   1.00
C832   C     0.42896   0.88683   0.12422   0.00000  Uiso   1.00
C833   C     0.41495   0.93293   0.12856   0.00000  Uiso   1.00
C834   C     0.40045   0.92706   0.15181   0.00000  Uiso   1.00
H495   H     0.49835   0.86034   0.10194   0.00000  Uiso   1.00
H502   H     0.47364   0.97263   0.06087   0.00000  Uiso   1.00
H508   H     0.03209   0.78612   0.12985   0.00000  Uiso   1.00
H510   H     0.06960   0.79295   0.16466   0.00000  Uiso   1.00
H512   H     0.06809   0.82960   0.19666   0.00000  Uiso   1.00
H513   H     0.02621   0.86070   0.19667   0.00000  Uiso   1.00
H521   H     0.35889   0.92487   0.18753   0.00000  Uiso   1.00
H522   H     0.35161   0.92507   0.23778   0.00000  Uiso   1.00
H524   H     0.40934   0.86494   0.25321   0.00000  Uiso   1.00
H526   H     0.42183   0.86325   0.20081   0.00000  Uiso   1.00
H528   H     0.41320   0.86117   0.15487   0.00000  Uiso   1.00
H529   H     0.44256   0.87203   0.11462   0.00000  Uiso   1.00
H531   H     0.41690   0.95520   0.12428   0.00000  Uiso   1.00
H533   H     0.39343   0.94175   0.16557   0.00000  Uiso   1.00
H534   H     0.41120   0.87775   0.32707   0.00000  Uiso   1.00
H536   H     0.35432   0.94207   0.31952   0.00000  Uiso   1.00
C837   C     0.38374   0.89676   0.24620   0.00000  Uiso   1.00
C841   C     0.00367   0.83691   0.16756   0.00000  Uiso   1.00
C842   C     0.39212   0.89551   0.19019   0.00000  Uiso   1.00
C846   C     0.43312   0.91404   0.11714   0.00000  Uiso   1.00
C851   C     0.40082   0.90088   0.16229   0.00000  Uiso   1.00
C856   C     0.36617   0.92607   0.30979   0.00000  Uiso   1.00
C859   C     0.47257   0.95212   0.07123   0.00000  Uiso   1.00
C861   C     0.39597   0.89006   0.31623   0.00000  Uiso   1.00
N157   N     0.44106   0.87252   0.04031   0.00000  Uiso   1.00
N158   N     0.47029   0.83467   0.03866   0.00000  Uiso   1.00
N159   N     0.48047   0.87357   0.01586   0.00000  Uiso   1.00
N160   N     0.38632   0.81227   0.27261   0.00000  Uiso   1.00
N161   N     0.40914   0.79931   0.23206   0.00000  Uiso   1.00
N162   N     0.36604   0.81622   0.23065   0.00000  Uiso   1.00
C863   C     0.44697   0.84678   0.04696   0.00000  Uiso   1.00
C865   C     0.48604   0.84971   0.02399   0.00000  Uiso   1.00
C867   C     0.45939   0.88626   0.02589   0.00000  Uiso   1.00
C868   C     0.40787   0.80271   0.25882   0.00000  Uiso   1.00
C869   C     0.38666   0.80316   0.21850   0.00000  Uiso   1.00
C870   C     0.36543   0.82041   0.25753   0.00000  Uiso   1.00
C877   C     0.41074   0.78684   0.14849   0.00000  Uiso   1.00
C878   C     0.41860   0.79360   0.09173   0.00000  Uiso   1.00
C879   C     0.43500   0.80630   0.07314   0.00000  Uiso   1.00
C880   C     0.40617   0.84589   0.07660   0.00000  Uiso   1.00
C881   C     0.39141   0.83384   0.09759   0.00000  Uiso   1.00
C884   C     0.36712   0.81101   0.14639   0.00000  Uiso   1.00
C894   C     0.36266   0.80823   0.17498   0.00000  Uiso   1.00
C895   C     0.32123   0.86038   0.30762   0.00000  Uiso   1.00
C896   C     0.34157   0.84301   0.29721   0.00000  Uiso   1.00
C897   C     0.31994   0.83907   0.25460   0.00000  Uiso   1.00
C898   C     0.30025   0.85561   0.26479   0.00000  Uiso   1.00
C899   C     0.25339   0.88507   0.28865   0.00000  Uiso   1.00
C900   C     0.23320   0.90112   0.30067   0.00000  Uiso   1.00
C901   C     0.23822   0.91733   0.32307   0.00000  Uiso   1.00
C902   C     0.26532   0.91940   0.33264   0.00000  Uiso   1.00
C903   C     0.28561   0.90420   0.31860   0.00000  Uiso   1.00
C916   C     0.48217   0.80224   0.27097   0.00000  Uiso   1.00
C917   C     0.45730   0.79798   0.25840   0.00000  Uiso   1.00
C918   C     0.43346   0.81069   0.30000   0.00000  Uiso   1.00
C919   C     0.45810   0.81329   0.31329   0.00000  Uiso   1.00
C921   C     0.42459   0.95340   0.01690   0.00000  Uiso   1.00
C922   C     0.43037   0.92686   0.02380   0.00000  Uiso   1.00
C939   C     0.40953   0.79092   0.17580   0.00000  Uiso   1.00
H540   H     0.30743   0.90584   0.32569   0.00000  Uiso   1.00
H554   H     0.49734   0.80152   0.34567   0.00000  Uiso   1.00
H562   H     0.35175   0.82268   0.13570   0.00000  Uiso   1.00
H563   H     0.45661   0.79315   0.23640   0.00000  Uiso   1.00
H564   H     0.41547   0.81576   0.31095   0.00000  Uiso   1.00
H565   H     0.45794   0.82007   0.33367   0.00000  Uiso   1.00
H568   H     0.34596   0.81791   0.18667   0.00000  Uiso   1.00
H572   H     0.40625   0.96409   0.02189   0.00000  Uiso   1.00
H573   H     0.45306   0.79572   0.06634   0.00000  Uiso   1.00
H574   H     0.41219   0.91661   0.03212   0.00000  Uiso   1.00
H576   H     0.32401   0.86704   0.32812   0.00000  Uiso   1.00
H578   H     0.42860   0.77755   0.13842   0.00000  Uiso   1.00
H580   H     0.36049   0.84245   0.30896   0.00000  Uiso   1.00
H585   H     0.31757   0.83219   0.23373   0.00000  Uiso   1.00
H587   H     0.40406   0.86766   0.07043   0.00000  Uiso   1.00
H589   H     0.28254   0.85781   0.25337   0.00000  Uiso   1.00
H594   H     0.24814   0.87196   0.27159   0.00000  Uiso   1.00
H597   H     0.21381   0.90157   0.29293   0.00000  Uiso   1.00
H600   H     0.42578   0.77346   0.09632   0.00000  Uiso   1.00
H603   H     0.22211   0.92785   0.33556   0.00000  Uiso   1.00
H609   H     0.27444   0.93397   0.34762   0.00000  Uiso   1.00
H610   H     0.42745   0.78296   0.18449   0.00000  Uiso   1.00
H613   H     0.37517   0.84672   0.10776   0.00000  Uiso   1.00
C944   C     0.30001   0.86622   0.29058   0.00000  Uiso   1.00
C945   C     0.39017   0.79951   0.13319   0.00000  Uiso   1.00
C948   C     0.39815   0.80734   0.10679   0.00000  Uiso   1.00
C949   C     0.45407   0.91266   0.01573   0.00000  Uiso   1.00
C950   C     0.42883   0.83301   0.06458   0.00000  Uiso   1.00
C954   C     0.43309   0.80365   0.27220   0.00000  Uiso   1.00
C959   C     0.27994   0.88473   0.29931   0.00000  Uiso   1.00
C961   C     0.38596   0.79904   0.19081   0.00000  Uiso   1.00
C962   C     0.48215   0.81116   0.29824   0.00000  Uiso   1.00
C964   C     0.34267   0.83413   0.27037   0.00000  Uiso   1.00
N187   N     0.47669   0.63876   0.09324   0.00000  Uiso   1.00
N188   N     0.47877   0.61837   0.05132   0.00000  Uiso   1.00
N190   N     0.00004   0.56090   0.09577   0.00000  Uiso   1.00
N193   N     0.21094   0.58256   0.17700   0.00000  Uiso   1.00
N194   N     0.19518   0.61469   0.20816   0.00000  Uiso   1.00
N195   N     0.24224   0.60693   0.20282   0.00000  Uiso   1.00
N196   N     0.39294   0.76830   0.44208   0.00000  Uiso   1.00
N197   N     0.39772   0.79751   0.47760   0.00000  Uiso   1.00
N198   N     0.42956   0.76156   0.47321   0.00000  Uiso   1.00
C991   C     0.46912   0.63825   0.06774   0.00000  Uiso   1.00
C992   C     0.49334   0.62010   0.10305   0.00000  Uiso   1.00
C995   C     0.00666   0.55648   0.12144   0.00000  Uiso   1.00
C996   C     0.18999   0.59619   0.18935   0.00000  Uiso   1.00
C997   C     0.23624   0.58712   0.18472   0.00000  Uiso   1.00
C998   C     0.41818   0.78205   0.48763   0.00000  Uiso   1.00
C999   C     0.41524   0.75359   0.45127   0.00000  Uiso   1.00
C1011  C     0.49672   0.63912   0.17527   0.00000  Uiso   1.00
C1012  C     0.49301   0.64247   0.14807   0.00000  Uiso   1.00
C1023  C     0.42368   0.69663   0.39968   0.00000  Uiso   1.00
C1024  C     0.41410   0.72047   0.41348   0.00000  Uiso   1.00
C1025  C     0.44852   0.71577   0.44638   0.00000  Uiso   1.00
C1026  C     0.45960   0.69295   0.43187   0.00000  Uiso   1.00
C1027  C     0.47722   0.64480   0.40253   0.00000  Uiso   1.00
C1028  C     0.49551   0.62918   0.38603   0.00000  Uiso   1.00
C1029  C     0.47951   0.65516   0.34725   0.00000  Uiso   1.00
C1030  C     0.46126   0.66984   0.36353   0.00000  Uiso   1.00
C1035  C     0.07861   0.57998   0.12148   0.00000  Uiso   1.00
C1036  C     0.05273   0.57462   0.11060   0.00000  Uiso   1.00
C1037  C     0.03941   0.55835   0.15570   0.00000  Uiso   1.00
C1038  C     0.06398   0.56694   0.16535   0.00000  Uiso   1.00
C1039  C     0.11541   0.59696   0.18300   0.00000  Uiso   1.00
C1040  C     0.14077   0.60205   0.19466   0.00000  Uiso   1.00
C1041  C     0.15920   0.57175   0.15794   0.00000  Uiso   1.00
C1042  C     0.13436   0.57201   0.14455   0.00000  Uiso   1.00
C1054  C     0.42463   0.67916   0.01803   0.00000  Uiso   1.00
C1055  C     0.44191   0.65868   0.02847   0.00000  Uiso   1.00
C1056  C     0.44313   0.68175   0.07204   0.00000  Uiso   1.00
C1057  C     0.43172   0.70490   0.05845   0.00000  Uiso   1.00
C1058  C     0.37625   0.71495   0.01620   0.00000  Uiso   1.00
C1059  C     0.35403   0.73319   0.01472   0.00000  Uiso   1.00
C1060  C     0.35794   0.76054   0.02149   0.00000  Uiso   1.00
C1061  C     0.38303   0.76829   0.03158   0.00000  Uiso   1.00
C1062  C     0.40412   0.74974   0.03335   0.00000  Uiso   1.00
C1072  C     0.33358   0.50326   0.15957   0.00000  Uiso   1.00
C1077  C     0.26427   0.53047   0.14315   0.00000  Uiso   1.00
C1078  C     0.24780   0.55185   0.15269   0.00000  Uiso   1.00
C1079  C     0.28325   0.57088   0.17973   0.00000  Uiso   1.00
C1080  C     0.30112   0.55209   0.16857   0.00000  Uiso   1.00
H614   H     0.14538   0.61573   0.21210   0.00000  Uiso   1.00
H616   H     0.17768   0.56093   0.15068   0.00000  Uiso   1.00
H618   H     0.13175   0.55977   0.12641   0.00000  Uiso   1.00
H621   H     0.22453   0.63468   0.23026   0.00000  Uiso   1.00
H636   H     0.49224   0.63809   0.27676   0.00000  Uiso   1.00
H640   H     0.44680   0.64048   0.01613   0.00000  Uiso   1.00
H641   H     0.45240   0.68347   0.09240   0.00000  Uiso   1.00
H642   H     0.41407   0.69026   0.38131   0.00000  Uiso   1.00
H643   H     0.42889   0.72066   0.07325   0.00000  Uiso   1.00
H644   H     0.48413   0.64106   0.22968   0.00000  Uiso   1.00
H645   H     0.37289   0.69444   0.01036   0.00000  Uiso   1.00
H646   H     0.39719   0.73207   0.40482   0.00000  Uiso   1.00
H647   H     0.33356   0.72585   0.01081   0.00000  Uiso   1.00
H648   H     0.34092   0.77346   0.02179   0.00000  Uiso   1.00
H649   H     0.38512   0.78961   0.03655   0.00000  Uiso   1.00
H650   H     0.45859   0.72356   0.46357   0.00000  Uiso   1.00
H651   H     0.42372   0.75633   0.04221   0.00000  Uiso   1.00
H653   H     0.36710   0.79893   0.44319   0.00000  Uiso   1.00
H656   H     0.47925   0.68620   0.43801   0.00000  Uiso   1.00
H659   H     0.49407   0.65769   0.18637   0.00000  Uiso   1.00
H660   H     0.00932   0.57595   0.04875   0.00000  Uiso   1.00
H661   H     0.47869   0.64184   0.42430   0.00000  Uiso   1.00
H668   H     0.48769   0.66206   0.14031   0.00000  Uiso   1.00
H670   H     0.48007   0.65675   0.32564   0.00000  Uiso   1.00
H671   H     0.33887   0.51576   0.17724   0.00000  Uiso   1.00
H673   H     0.45011   0.68722   0.35549   0.00000  Uiso   1.00
H679   H     0.25434   0.51455   0.13184   0.00000  Uiso   1.00
H680   H     0.22716   0.55005   0.14717   0.00000  Uiso   1.00
H681   H     0.29146   0.58728   0.19168   0.00000  Uiso   1.00
H683   H     0.32192   0.55367   0.17364   0.00000  Uiso   1.00
H699   H     0.09397   0.59188   0.10986   0.00000  Uiso   1.00
H703   H     0.04634   0.57923   0.09009   0.00000  Uiso   1.00
H708   H     0.02698   0.54770   0.17020   0.00000  Uiso   1.00
H712   H     0.06572   0.56164   0.18586   0.00000  Uiso   1.00
H717   H     0.09820   0.60688   0.19127   0.00000  Uiso   1.00
C1102  C     0.16311   0.59036   0.18009   0.00000  Uiso   1.00
C1104  C     0.42526   0.73012   0.43783   0.00000  Uiso   1.00
C1109  C     0.49625   0.63437   0.35784   0.00000  Uiso   1.00
C1113  C     0.40148   0.72240   0.02685   0.00000  Uiso   1.00
C1115  C     0.11214   0.58240   0.15881   0.00000  Uiso   1.00
C1118  C     0.49884   0.62008   0.13150   0.00000  Uiso   1.00
C1119  C     0.45126   0.65878   0.05664   0.00000  Uiso   1.00
C1123  C     0.46003   0.66527   0.39205   0.00000  Uiso   1.00
C1126  C     0.03356   0.56286   0.12815   0.00000  Uiso   1.00
C1129  C     0.31076   0.50926   0.14336   0.00000  Uiso   1.00
C1131  C     0.44661   0.68357   0.40916   0.00000  Uiso   1.00
C1133  C     0.42184   0.70393   0.03291   0.00000  Uiso   1.00
C1134  C     0.25585   0.57024   0.17340   0.00000  Uiso   1.00
C1136  C     0.08585   0.57644   0.14959   0.00000  Uiso   1.00
C1140  C     0.29234   0.53091   0.15146   0.00000  Uiso   1.00
C1147  C     0.49666   0.60121   0.06137   0.00000  Uiso   1.00
C1148  C     0.22164   0.62061   0.21333   0.00000  Uiso   1.00
C1149  C     0.38412   0.79041   0.45482   0.00000  Uiso   1.00
H765   H     0.46796   0.54698   0.00286   0.00000  Uiso   1.00
N212   N     0.46960   0.50408   0.00353   0.00000  Uiso   1.00
C1165  C     0.47881   0.52970   0.00857   0.00000  Uiso   1.00
N223   N     0.42372   0.80330   0.40228   0.00000  Uiso   1.00
N224   N     0.45838   0.77445   0.39125   0.00000  Uiso   1.00
N225   N     0.41792   0.77036   0.36860   0.00000  Uiso   1.00
N229   N     0.20205   0.85492   0.36147   0.00000  Uiso   1.00
N230   N     0.19852   0.80992   0.34988   0.00000  Uiso   1.00
N231   N     0.15971   0.83701   0.34833   0.00000  Uiso   1.00
N235   N     0.12487   0.67950   0.20022   0.00000  Uiso   1.00
N236   N     0.09634   0.65529   0.17100   0.00000  Uiso   1.00
N237   N     0.07951   0.67336   0.21068   0.00000  Uiso   1.00
C1255  C     0.44396   0.76440   0.37175   0.00000  Uiso   1.00
C1257  C     0.44924   0.79404   0.40629   0.00000  Uiso   1.00
C1259  C     0.40830   0.79126   0.38336   0.00000  Uiso   1.00
C1260  C     0.21291   0.83051   0.35832   0.00000  Uiso   1.00
C1261  C     0.17255   0.81272   0.34443   0.00000  Uiso   1.00
C1264  C     0.12019   0.66549   0.17735   0.00000  Uiso   1.00
C1265  C     0.07607   0.66114   0.18726   0.00000  Uiso   1.00
C1266  C     0.10410   0.68238   0.21707   0.00000  Uiso   1.00
C1271  C     0.49236   0.79553   0.43029   0.00000  Uiso   1.00
C1272  C     0.45764   0.82648   0.44249   0.00000  Uiso   1.00
C1273  C     0.47441   0.83814   0.46191   0.00000  Uiso   1.00
C1274  C     0.36666   0.78537   0.35785   0.00000  Uiso   1.00
C1275  C     0.37000   0.82083   0.39203   0.00000  Uiso   1.00
C1284  C     0.28734   0.84604   0.36995   0.00000  Uiso   1.00
C1285  C     0.34376   0.82899   0.38500   0.00000  Uiso   1.00
C1286  C     0.25845   0.84925   0.36929   0.00000  Uiso   1.00
C1287  C     0.25288   0.80060   0.36188   0.00000  Uiso   1.00
C1289  C     0.11696   0.76599   0.31665   0.00000  Uiso   1.00
C1290  C     0.12960   0.79047   0.32573   0.00000  Uiso   1.00
C1291  C     0.16996   0.76424   0.33319   0.00000  Uiso   1.00
C1292  C     0.15698   0.74045   0.32255   0.00000  Uiso   1.00
C1293  C     0.14204   0.71697   0.27257   0.00000  Uiso   1.00
C1294  C     0.13569   0.70572   0.24661   0.00000  Uiso   1.00
C1295  C     0.08858   0.70500   0.25873   0.00000  Uiso   1.00
C1296  C     0.09313   0.71718   0.28404   0.00000  Uiso   1.00
C1297  C     0.28167   0.79706   0.36106   0.00000  Uiso   1.00
C1307  C     0.34132   0.79618   0.34958   0.00000  Uiso   1.00
C1309  C     0.45099   0.71492   0.31423   0.00000  Uiso   1.00
C1310  C     0.44001   0.73288   0.33403   0.00000  Uiso   1.00
C1311  C     0.48542   0.74531   0.35074   0.00000  Uiso   1.00
C1312  C     0.49655   0.73059   0.32953   0.00000  Uiso   1.00
C1316  C     0.49031   0.70912   0.23638   0.00000  Uiso   1.00
C1317  C     0.47641   0.71414   0.26119   0.00000  Uiso   1.00
C1318  C     0.00033   0.65309   0.18782   0.00000  Uiso   1.00
C1319  C     0.02616   0.65906   0.19728   0.00000  Uiso   1.00
C1320  C     0.04396   0.63951   0.15552   0.00000  Uiso   1.00
C1321  C     0.01792   0.62973   0.14879   0.00000  Uiso   1.00
C1327  C     0.23793   0.63179   0.12982   0.00000  Uiso   1.00
C1328  C     0.26229   0.62843   0.11454   0.00000  Uiso   1.00
C1329  C     0.26180   0.63578   0.08634   0.00000  Uiso   1.00
C1330  C     0.23791   0.64371   0.07323   0.00000  Uiso   1.00
C1331  C     0.21354   0.64355   0.08708   0.00000  Uiso   1.00
C1332  C     0.16447   0.63742   0.12274   0.00000  Uiso   1.00
C1333  C     0.14095   0.64256   0.13709   0.00000  Uiso   1.00
C1334  C     0.16893   0.66516   0.17067   0.00000  Uiso   1.00
C1335  C     0.19273   0.65820   0.15597   0.00000  Uiso   1.00
H786   H     0.43799   0.83541   0.43916   0.00000  Uiso   1.00
H788   H     0.29079   0.77622   0.35815   0.00000  Uiso   1.00
H795   H     0.46561   0.85485   0.47131   0.00000  Uiso   1.00
H806   H     0.33005   0.78245   0.33798   0.00000  Uiso   1.00
H807   H     0.43702   0.70406   0.30269   0.00000  Uiso   1.00
H808   H     0.16857   0.87701   0.35386   0.00000  Uiso   1.00
H809   H     0.41780   0.73251   0.33684   0.00000  Uiso   1.00
H811   H     0.49893   0.75781   0.36272   0.00000  Uiso   1.00
H812   H     0.37399   0.76848   0.34479   0.00000  Uiso   1.00
H814   H     0.29950   0.86430   0.37188   0.00000  Uiso   1.00
H816   H     0.33575   0.84583   0.39668   0.00000  Uiso   1.00
H819   H     0.48067   0.71447   0.21670   0.00000  Uiso   1.00
H820   H     0.25143   0.86913   0.37087   0.00000  Uiso   1.00
H821   H     0.45835   0.72591   0.26260   0.00000  Uiso   1.00
H824   H     0.02815   0.66971   0.21589   0.00000  Uiso   1.00
H825   H     0.06043   0.63255   0.14238   0.00000  Uiso   1.00
H826   H     0.01476   0.62057   0.12879   0.00000  Uiso   1.00
H829   H     0.37930   0.83123   0.40869   0.00000  Uiso   1.00
H832   H     0.09521   0.76842   0.30968   0.00000  Uiso   1.00
H834   H     0.49900   0.77919   0.41783   0.00000  Uiso   1.00
H836   H     0.11812   0.80937   0.32954   0.00000  Uiso   1.00
H837   H     0.23714   0.62876   0.15172   0.00000  Uiso   1.00
H838   H     0.28033   0.62323   0.12424   0.00000  Uiso   1.00
H840   H     0.28166   0.63310   0.07750   0.00000  Uiso   1.00
H841   H     0.18927   0.76313   0.34437   0.00000  Uiso   1.00
H842   H     0.23750   0.64724   0.05152   0.00000  Uiso   1.00
H843   H     0.19605   0.64779   0.07542   0.00000  Uiso   1.00
H844   H     0.17017   0.72444   0.32029   0.00000  Uiso   1.00
H845   H     0.16187   0.62797   0.10349   0.00000  Uiso   1.00
H846   H     0.12018   0.63511   0.13082   0.00000  Uiso   1.00
H848   H     0.17264   0.67877   0.18883   0.00000  Uiso   1.00
H849   H     0.16352   0.72087   0.27657   0.00000  Uiso   1.00
H850   H     0.21336   0.66229   0.16367   0.00000  Uiso   1.00
H852   H     0.15236   0.70056   0.23206   0.00000  Uiso   1.00
H856   H     0.06814   0.69649   0.25541   0.00000  Uiso   1.00
H860   H     0.07729   0.72300   0.29760   0.00000  Uiso   1.00
H863   H     0.24117   0.78103   0.35834   0.00000  Uiso   1.00
C1346  C     0.04938   0.65291   0.18084   0.00000  Uiso   1.00
C1347  C     0.46641   0.80526   0.42634   0.00000  Uiso   1.00
C1348  C     0.24088   0.82630   0.36335   0.00000  Uiso   1.00
C1349  C     0.21444   0.64091   0.11616   0.00000  Uiso   1.00
C1351  C     0.32715   0.81619   0.36530   0.00000  Uiso   1.00
C1352  C     0.12934   0.74052   0.31230   0.00000  Uiso   1.00
C1353  C     0.47935   0.71536   0.31203   0.00000  Uiso   1.00
C1354  C     0.14357   0.65782   0.16206   0.00000  Uiso   1.00
C1358  C     0.19070   0.64360   0.13131   0.00000  Uiso   1.00
C1361  C     0.38088   0.79919   0.37817   0.00000  Uiso   1.00
C1362  C     0.10945   0.69850   0.24006   0.00000  Uiso   1.00
C1369  C     0.45628   0.74619   0.35314   0.00000  Uiso   1.00
C1370  C     0.49071   0.71049   0.28584   0.00000  Uiso   1.00
C1371  C     0.15703   0.78973   0.33421   0.00000  Uiso   1.00
C1373  C     0.12060   0.72256   0.29078   0.00000  Uiso   1.00
C1375  C     0.29886   0.82023   0.36499   0.00000  Uiso   1.00
C1380  C     0.17593   0.85736   0.35612   0.00000  Uiso   1.00
N250   N     0.40227   0.89627   0.43668   0.00000  Uiso   1.00
N251   N     0.44198   0.91151   0.45835   0.00000  Uiso   1.00
N252   N     0.41430   0.88166   0.48144   0.00000  Uiso   1.00
C1387  C     0.42432   0.91225   0.43689   0.00000  Uiso   1.00
C1388  C     0.43599   0.89716   0.48005   0.00000  Uiso   1.00
C1422  C     0.45128   0.96141   0.31760   0.00000  Uiso   1.00
C1423  C     0.46552   0.97327   0.29520   0.00000  Uiso   1.00
C1424  C     0.48131   0.99531   0.29931   0.00000  Uiso   1.00
C1426  C     0.46590   0.99776   0.34601   0.00000  Uiso   1.00
C1427  C     0.41870   0.94327   0.36809   0.00000  Uiso   1.00
C1428  C     0.41163   0.92899   0.39260   0.00000  Uiso   1.00
C1429  C     0.45336   0.94448   0.41515   0.00000  Uiso   1.00
C1430  C     0.45942   0.96041   0.39171   0.00000  Uiso   1.00
H875   H     0.48324   0.92643   0.48454   0.00000  Uiso   1.00
H878   H     0.38087   0.87007   0.45928   0.00000  Uiso   1.00
H894   H     0.46289   0.73667   0.00054   0.00000  Uiso   1.00
H897   H     0.44018   0.94369   0.31412   0.00000  Uiso   1.00
H899   H     0.47111   0.96193   0.27816   0.00000  Uiso   1.00
H907   H     0.40476   0.94258   0.35128   0.00000  Uiso   1.00
H908   H     0.39480   0.91534   0.39109   0.00000  Uiso   1.00
H909   H     0.46738   0.94409   0.43225   0.00000  Uiso   1.00
H910   H     0.47817   0.97059   0.39301   0.00000  Uiso   1.00
C1440  C     0.45244   0.97333   0.34382   0.00000  Uiso   1.00
C1444  C     0.42919   0.92832   0.41418   0.00000  Uiso   1.00
C1448  C     0.44147   0.96034   0.36818   0.00000  Uiso   1.00
C1450  C     0.39916   0.88131   0.45898   0.00000  Uiso   1.00
C1484  C     0.03373   0.66716   0.08681   0.00000  Uiso   1.00
C1485  C     0.00622   0.67092   0.09183   0.00000  Uiso   1.00
C1487  C     0.02526   0.65441   0.04062   0.00000  Uiso   1.00
C1488  C     0.08988   0.66631   0.07151   0.00000  Uiso   1.00
C1489  C     0.11757   0.65954   0.07046   0.00000  Uiso   1.00
C1490  C     0.12655   0.63914   0.05393   0.00000  Uiso   1.00
C1491  C     0.10964   0.62558   0.03540   0.00000  Uiso   1.00
C1492  C     0.08012   0.63113   0.03925   0.00000  Uiso   1.00
H912   H     0.04617   0.66849   0.10558   0.00000  Uiso   1.00
H917   H     0.03172   0.64901   0.02060   0.00000  Uiso   1.00
H919   H     0.08489   0.68442   0.08341   0.00000  Uiso   1.00
H921   H     0.13286   0.67560   0.07832   0.00000  Uiso   1.00
H923   H     0.14963   0.63649   0.04999   0.00000  Uiso   1.00
H924   H     0.11706   0.61193   0.01934   0.00000  Uiso   1.00
H925   H     0.06533   0.62009   0.02665   0.00000  Uiso   1.00
H964   H     0.47937   0.71829   0.06597   0.00000  Uiso   1.00
C1516  C     0.04356   0.65498   0.06281   0.00000  Uiso   1.00
C1522  C     0.07120   0.65066   0.05753   0.00000  Uiso   1.00
C1537  C     0.49926   0.72596   0.07218   0.00000  Uiso   1.00
H1017  H     0.25277   0.63583   0.00050   0.00000  Uiso   1.00
N34    N     0.70364   0.99009   0.16297   0.00000  Uiso   1.00
N35    N     0.69031   0.95665   0.13271   0.00000  Uiso   1.00
C102   C     0.68086   0.97512   0.11580   0.00000  Uiso   1.00
C127   C     0.64034   0.97489   0.05286   0.00000  Uiso   1.00
C128   C     0.65730   0.98466   0.07417   0.00000  Uiso   1.00
C129   C     0.66697   0.93817   0.08465   0.00000  Uiso   1.00
C130   C     0.65139   0.92865   0.06283   0.00000  Uiso   1.00
C131   C     0.62042   0.91534   0.01370   0.00000  Uiso   1.00
C134   C     0.59467   0.95691   0.02250   0.00000  Uiso   1.00
H79    H     0.62894   0.99000   0.04283   0.00000  Uiso   1.00
H87    H     0.67691   0.92383   0.09718   0.00000  Uiso   1.00
H90    H     0.64819   0.90694   0.05973   0.00000  Uiso   1.00
H95    H     0.63513   0.90073   0.01615   0.00000  Uiso   1.00
H109   H     0.58962   0.97522   0.03306   0.00000  Uiso   1.00
H116   H     0.71001   0.94754   0.16702   0.00000  Uiso   1.00
C214   C     0.63598   0.94762   0.04700   0.00000  Uiso   1.00
C224   C     0.61622   0.93917   0.02957   0.00000  Uiso   1.00
C231   C     0.66964   0.96605   0.09085   0.00000  Uiso   1.00
C234   C     0.70145   0.96422   0.15544   0.00000  Uiso   1.00
N55    N     0.73198   0.56688   0.26005   0.00000  Uiso   1.00
N56    N     0.69447   0.53993   0.27455   0.00000  Uiso   1.00
N57    N     0.73836   0.52101   0.26855   0.00000  Uiso   1.00
N61    N     0.58640   0.88226   0.25632   0.00000  Uiso   1.00
N62    N     0.59539   0.92730   0.26314   0.00000  Uiso   1.00
N63    N     0.57693   0.91313   0.22197   0.00000  Uiso   1.00
N64    N     0.57765   0.73854   0.27855   0.00000  Uiso   1.00
N65    N     0.60548   0.75761   0.24416   0.00000  Uiso   1.00
N66    N     0.56352   0.77683   0.25676   0.00000  Uiso   1.00
C246   C     0.70573   0.56384   0.26696   0.00000  Uiso   1.00
C247   C     0.71201   0.51931   0.27624   0.00000  Uiso   1.00
C250   C     0.58590   0.93232   0.23849   0.00000  Uiso   1.00
C251   C     0.57709   0.88840   0.23126   0.00000  Uiso   1.00
C252   C     0.60145   0.73852   0.26463   0.00000  Uiso   1.00
C282   C     0.58025   0.99026   0.19128   0.00000  Uiso   1.00
C283   C     0.57580   0.96552   0.20199   0.00000  Uiso   1.00
C284   C     0.60280   0.97874   0.24110   0.00000  Uiso   1.00
C290   C     0.65503   0.68515   0.24690   0.00000  Uiso   1.00
C291   C     0.64035   0.70989   0.24658   0.00000  Uiso   1.00
C292   C     0.61343   0.69257   0.28239   0.00000  Uiso   1.00
C293   C     0.62823   0.66813   0.28200   0.00000  Uiso   1.00
C294   C     0.65133   0.61271   0.27122   0.00000  Uiso   1.00
C295   C     0.66576   0.58924   0.27321   0.00000  Uiso   1.00
C296   C     0.70440   0.61251   0.25286   0.00000  Uiso   1.00
C297   C     0.68949   0.63774   0.25182   0.00000  Uiso   1.00
C300   C     0.54180   0.82431   0.21693   0.00000  Uiso   1.00
C301   C     0.55453   0.84676   0.22966   0.00000  Uiso   1.00
C302   C     0.55176   0.87386   0.18917   0.00000  Uiso   1.00
C303   C     0.53828   0.85215   0.17631   0.00000  Uiso   1.00
C304   C     0.51917   0.78006   0.18654   0.00000  Uiso   1.00
C305   C     0.50555   0.75947   0.17221   0.00000  Uiso   1.00
H159   H     0.57204   0.99066   0.17022   0.00000  Uiso   1.00
H161   H     0.56511   0.95066   0.18838   0.00000  Uiso   1.00
H162   H     0.61047   0.97622   0.26200   0.00000  Uiso   1.00
H171   H     0.66247   0.50945   0.29309   0.00000  Uiso   1.00
H172   H     0.67293   0.68316   0.23247   0.00000  Uiso   1.00
H174   H     0.64745   0.72663   0.23446   0.00000  Uiso   1.00
H176   H     0.59933   0.69759   0.29901   0.00000  Uiso   1.00
H178   H     0.62168   0.65500   0.29946   0.00000  Uiso   1.00
H179   H     0.63072   0.61165   0.27931   0.00000  Uiso   1.00
H181   H     0.65670   0.57312   0.28381   0.00000  Uiso   1.00
H183   H     0.72499   0.61175   0.24600   0.00000  Uiso   1.00
H185   H     0.70193   0.65434   0.24564   0.00000  Uiso   1.00
H187   H     0.59970   0.89455   0.29161   0.00000  Uiso   1.00
H191   H     0.54182   0.76142   0.28749   0.00000  Uiso   1.00
H192   H     0.58934   0.78985   0.22599   0.00000  Uiso   1.00
H195   H     0.53765   0.80840   0.23095   0.00000  Uiso   1.00
H197   H     0.56136   0.84386   0.24999   0.00000  Uiso   1.00
H199   H     0.55751   0.89082   0.17768   0.00000  Uiso   1.00
H200   H     0.53416   0.85404   0.15375   0.00000  Uiso   1.00
H201   H     0.53619   0.77394   0.19912   0.00000  Uiso   1.00
H202   H     0.76855   0.54842   0.25477   0.00000  Uiso   1.00
H203   H     0.50714   0.73705   0.17445   0.00000  Uiso   1.00
C314   C     0.64870   0.66265   0.26318   0.00000  Uiso   1.00
C318   C     0.56264   0.86949   0.21529   0.00000  Uiso   1.00
C319   C     0.58723   0.95885   0.22723   0.00000  Uiso   1.00
C320   C     0.69238   0.58800   0.26398   0.00000  Uiso   1.00
C323   C     0.53384   0.82671   0.18937   0.00000  Uiso   1.00
C328   C     0.66270   0.63795   0.26045   0.00000  Uiso   1.00
C331   C     0.51542   0.80761   0.17854   0.00000  Uiso   1.00
C332   C     0.61898   0.71461   0.26534   0.00000  Uiso   1.00
C338   C     0.55975   0.75784   0.27589   0.00000  Uiso   1.00
C339   C     0.74785   0.54585   0.26102   0.00000  Uiso   1.00
C341   C     0.59633   0.90224   0.27194   0.00000  Uiso   1.00
C343   C     0.58646   0.77663   0.24237   0.00000  Uiso   1.00
N79    N     0.62451   0.82867   0.15740   0.00000  Uiso   1.00
N80    N     0.65778   0.85525   0.17176   0.00000  Uiso   1.00
N81    N     0.65941   0.80997   0.18269   0.00000  Uiso   1.00
N82    N     0.98102   0.73888   0.05875   0.00000  Uiso   1.00
C348   C     0.66903   0.83503   0.18413   0.00000  Uiso   1.00
H224   H     0.61272   0.96868   0.10548   0.00000  Uiso   1.00
H226   H     0.51309   0.96824   0.12322   0.00000  Uiso   1.00
H227   H     0.54296   0.92451   0.12770   0.00000  Uiso   1.00
H228   H     0.63144   0.94423   0.13421   0.00000  Uiso   1.00
H229   H     0.65984   0.90472   0.14694   0.00000  Uiso   1.00
H230   H     0.58658   0.85323   0.13584   0.00000  Uiso   1.00
H231   H     0.56291   0.89050   0.11794   0.00000  Uiso   1.00
H243   H     0.68625   0.83720   0.19847   0.00000  Uiso   1.00
H244   H     0.56008   0.75309   0.14884   0.00000  Uiso   1.00
H245   H     0.58412   0.79798   0.14767   0.00000  Uiso   1.00
H246   H     0.65056   0.76011   0.19115   0.00000  Uiso   1.00
H247   H     0.62670   0.71977   0.19963   0.00000  Uiso   1.00
H248   H     0.56469   0.70759   0.13253   0.00000  Uiso   1.00
H249   H     0.55439   0.65805   0.12983   0.00000  Uiso   1.00
H250   H     0.55963   0.62701   0.17114   0.00000  Uiso   1.00
H251   H     0.57397   0.65137   0.21657   0.00000  Uiso   1.00
H252   H     0.58718   0.69933   0.21602   0.00000  Uiso   1.00
H266   H     0.93864   0.76219   0.16633   0.00000  Uiso   1.00
H267   H     0.98197   0.75328   0.13994   0.00000  Uiso   1.00
H268   H     0.93531   0.74850   0.06496   0.00000  Uiso   1.00
H269   H     0.89412   0.76264   0.09136   0.00000  Uiso   1.00
H270   H     0.90803   0.80036   0.17053   0.00000  Uiso   1.00
H271   H     0.87069   0.81155   0.19930   0.00000  Uiso   1.00
H272   H     0.82681   0.78372   0.19267   0.00000  Uiso   1.00
H273   H     0.82261   0.75405   0.14956   0.00000  Uiso   1.00
H274   H     0.86149   0.74219   0.12411   0.00000  Uiso   1.00
C353   C     0.63680   0.85179   0.15733   0.00000  Uiso   1.00
C354   C     0.63690   0.80760   0.16828   0.00000  Uiso   1.00
C357   C     0.98294   0.74197   0.08539   0.00000  Uiso   1.00
C367   C     0.55182   0.94427   0.12294   0.00000  Uiso   1.00
C368   C     0.56670   0.69446   0.15068   0.00000  Uiso   1.00
C369   C     0.56265   0.66616   0.14847   0.00000  Uiso   1.00
C370   C     0.56444   0.65119   0.17262   0.00000  Uiso   1.00
C371   C     0.62315   0.92339   0.13305   0.00000  Uiso   1.00
C372   C     0.57440   0.66167   0.19752   0.00000  Uiso   1.00
C374   C     0.57797   0.69004   0.19944   0.00000  Uiso   1.00
C375   C     0.63858   0.90183   0.14248   0.00000  Uiso   1.00
C380   C     0.59784   0.87148   0.13548   0.00000  Uiso   1.00
C384   C     0.58431   0.89433   0.12325   0.00000  Uiso   1.00
C388   C     0.57601   0.99409   0.10892   0.00000  Uiso   1.00
C395   C     0.58056   0.75427   0.15861   0.00000  Uiso   1.00
C396   C     0.59355   0.78013   0.15797   0.00000  Uiso   1.00
C398   C     0.53528   0.96769   0.12033   0.00000  Uiso   1.00
C399   C     0.93877   0.76293   0.14466   0.00000  Uiso   1.00
C401   C     0.96143   0.75383   0.13038   0.00000  Uiso   1.00
C402   C     0.93488   0.75247   0.08838   0.00000  Uiso   1.00
C404   C     0.91196   0.75881   0.10314   0.00000  Uiso   1.00
C405   C     0.89029   0.78844   0.16687   0.00000  Uiso   1.00
C406   C     0.86768   0.79607   0.18229   0.00000  Uiso   1.00
C408   C     0.84347   0.78096   0.17882   0.00000  Uiso   1.00
C409   C     0.84176   0.76333   0.15640   0.00000  Uiso   1.00
C411   C     0.86361   0.75753   0.13902   0.00000  Uiso   1.00
C412   C     0.63067   0.75927   0.18115   0.00000  Uiso   1.00
C428   C     0.59188   0.96993   0.11085   0.00000  Uiso   1.00
C432   C     0.61626   0.73603   0.18700   0.00000  Uiso   1.00
C433   C     0.58971   0.73184   0.17441   0.00000  Uiso   1.00
C434   C     0.88876   0.77055   0.14409   0.00000  Uiso   1.00
C435   C     0.58098   0.94421   0.11914   0.00000  Uiso   1.00
C440   C     0.62604   0.87500   0.14487   0.00000  Uiso   1.00
C442   C     0.95972   0.74801   0.10179   0.00000  Uiso   1.00
C446   C     0.57716   0.70585   0.17540   0.00000  Uiso   1.00
C450   C     0.91403   0.76489   0.13040   0.00000  Uiso   1.00
C457   C     0.54838   0.99293   0.11692   0.00000  Uiso   1.00
C458   C     0.62074   0.78275   0.16850   0.00000  Uiso   1.00
C462   C     0.59647   0.92093   0.12394   0.00000  Uiso   1.00
N100   N     0.68091   0.60601   0.09139   0.00000  Uiso   1.00
N101   N     0.69008   0.64661   0.07115   0.00000  Uiso   1.00
N102   N     0.64632   0.63705   0.08742   0.00000  Uiso   1.00
C472   C     0.69737   0.62240   0.07930   0.00000  Uiso   1.00
C473   C     0.65449   0.61318   0.09510   0.00000  Uiso   1.00
C519   C     0.63126   0.55569   0.14013   0.00000  Uiso   1.00
C520   C     0.64746   0.57218   0.12395   0.00000  Uiso   1.00
C521   C     0.61038   0.60561   0.11828   0.00000  Uiso   1.00
C522   C     0.59539   0.58863   0.13528   0.00000  Uiso   1.00
C523   C     0.56397   0.53760   0.13081   0.00000  Uiso   1.00
C524   C     0.55148   0.51236   0.12720   0.00000  Uiso   1.00
C526   C     0.59278   0.51958   0.16590   0.00000  Uiso   1.00
C545   C     0.76823   0.62065   0.05208   0.00000  Uiso   1.00
C546   C     0.74289   0.63019   0.06143   0.00000  Uiso   1.00
C547   C     0.73018   0.58504   0.07974   0.00000  Uiso   1.00
C548   C     0.75590   0.57675   0.07424   0.00000  Uiso   1.00
C549   C     0.82269   0.60359   0.06126   0.00000  Uiso   1.00
C550   C     0.84932   0.59580   0.06079   0.00000  Uiso   1.00
C551   C     0.85576   0.56859   0.05710   0.00000  Uiso   1.00
C552   C     0.83464   0.55038   0.04919   0.00000  Uiso   1.00
C553   C     0.80758   0.55860   0.05033   0.00000  Uiso   1.00
H296   H     0.63871   0.53518   0.14498   0.00000  Uiso   1.00
H298   H     0.66797   0.56638   0.11834   0.00000  Uiso   1.00
H299   H     0.60187   0.62246   0.11192   0.00000  Uiso   1.00
H301   H     0.57388   0.59205   0.13596   0.00000  Uiso   1.00
H303   H     0.55956   0.55281   0.11560   0.00000  Uiso   1.00
H305   H     0.53865   0.50978   0.10988   0.00000  Uiso   1.00
H308   H     0.61032   0.52137   0.17918   0.00000  Uiso   1.00
H311   H     0.65731   0.67366   0.07167   0.00000  Uiso   1.00
H347   H     0.77997   0.63583   0.04128   0.00000  Uiso   1.00
H348   H     0.73683   0.65086   0.06002   0.00000  Uiso   1.00
H350   H     0.71741   0.57151   0.08963   0.00000  Uiso   1.00
H352   H     0.76303   0.55619   0.08073   0.00000  Uiso   1.00
H354   H     0.82120   0.62617   0.06544   0.00000  Uiso   1.00
H356   H     0.86297   0.60778   0.07339   0.00000  Uiso   1.00
H357   H     0.87733   0.56267   0.05949   0.00000  Uiso   1.00
H359   H     0.83809   0.52928   0.04903   0.00000  Uiso   1.00
H361   H     0.79283   0.54389   0.04796   0.00000  Uiso   1.00
C568   C     0.72390   0.61225   0.07408   0.00000  Uiso   1.00
C571   C     0.63702   0.59632   0.11184   0.00000  Uiso   1.00
C573   C     0.77420   0.59399   0.05934   0.00000  Uiso   1.00
C582   C     0.80167   0.58503   0.05571   0.00000  Uiso   1.00
C588   C     0.58625   0.54174   0.14842   0.00000  Uiso   1.00
C595   C     0.60465   0.56337   0.14471   0.00000  Uiso   1.00
C605   C     0.66380   0.65307   0.07457   0.00000  Uiso   1.00
H394   H     0.55587   0.91518   0.48881   0.00000  Uiso   1.00
H397   H     0.53053   0.98247   0.44168   0.00000  Uiso   1.00
H398   H     0.55785   0.95065   0.40645   0.00000  Uiso   1.00
H399   H     0.53142   0.92963   0.37240   0.00000  Uiso   1.00
H401   H     0.51769   0.90215   0.46889   0.00000  Uiso   1.00
H433   H     0.50487   0.97095   0.19144   0.00000  Uiso   1.00
H434   H     0.50948   0.95287   0.23564   0.00000  Uiso   1.00
H437   H     0.51680   0.91882   0.31957   0.00000  Uiso   1.00
H438   H     0.52374   0.92798   0.26950   0.00000  Uiso   1.00
C627   C     0.52404   0.90443   0.44750   0.00000  Uiso   1.00
C640   C     0.54225   0.97442   0.45877   0.00000  Uiso   1.00
C657   C     0.54392   0.93438   0.41235   0.00000  Uiso   1.00
C663   C     0.52838   0.92202   0.39218   0.00000  Uiso   1.00
C665   C     0.54421   0.99223   0.48003   0.00000  Uiso   1.00
C670   C     0.50341   0.93874   0.22008   0.00000  Uiso   1.00
C672   C     0.50903   0.89225   0.42626   0.00000  Uiso   1.00
C674   C     0.55412   0.93646   0.48591   0.00000  Uiso   1.00
C675   C     0.50435   0.91018   0.30327   0.00000  Uiso   1.00
C677   C     0.50697   0.91611   0.27517   0.00000  Uiso   1.00
C689   C     0.54812   0.94664   0.45991   0.00000  Uiso   1.00
C691   C     0.51018   0.90060   0.39863   0.00000  Uiso   1.00
C694   C     0.54138   0.92696   0.44045   0.00000  Uiso   1.00
C745   C     0.52887   0.51041   0.30049   0.00000  Uiso   1.00
C747   C     0.56534   0.51060   0.25651   0.00000  Uiso   1.00
C748   C     0.54388   0.53058   0.25908   0.00000  Uiso   1.00
H444   H     0.52655   0.65557   0.00571   0.00000  Uiso   1.00
H463   H     0.51483   0.51203   0.31865   0.00000  Uiso   1.00
H466   H     0.57797   0.51053   0.23857   0.00000  Uiso   1.00
H468   H     0.54029   0.54270   0.24026   0.00000  Uiso   1.00
H490   H     0.62351   0.51038   0.00525   0.00000  Uiso   1.00
C764   C     0.50174   0.54498   0.27995   0.00000  Uiso   1.00
C773   C     0.52573   0.53045   0.28026   0.00000  Uiso   1.00
N139   N     0.67388   0.81346   0.10680   0.00000  Uiso   1.00
N140   N     0.69508   0.77723   0.12829   0.00000  Uiso   1.00
N141   N     0.65256   0.77303   0.10750   0.00000  Uiso   1.00
N142   N     0.88392   0.88618   0.16342   0.00000  Uiso   1.00
N143   N     0.86332   0.92917   0.16586   0.00000  Uiso   1.00
N144   N     0.90871   0.92436   0.17328   0.00000  Uiso   1.00
N145   N     0.62698   0.58525   0.21431   0.00000  Uiso   1.00
N146   N     0.66717   0.56628   0.20092   0.00000  Uiso   1.00
N147   N     0.63733   0.54062   0.22806   0.00000  Uiso   1.00
C787   C     0.67428   0.76197   0.12017   0.00000  Uiso   1.00
C788   C     0.86267   0.90248   0.16204   0.00000  Uiso   1.00
C789   C     0.69419   0.80226   0.11957   0.00000  Uiso   1.00
C790   C     0.65248   0.79918   0.10185   0.00000  Uiso   1.00
C791   C     0.90691   0.89838   0.16933   0.00000  Uiso   1.00
C792   C     0.65035   0.58618   0.20016   0.00000  Uiso   1.00
C796   C     0.65230   0.69042   0.12295   0.00000  Uiso   1.00
C797   C     0.65370   0.71785   0.11539   0.00000  Uiso   1.00
C798   C     0.69428   0.72230   0.14147   0.00000  Uiso   1.00
C799   C     0.69421   0.69476   0.14720   0.00000  Uiso   1.00
C800   C     0.68740   0.63525   0.15675   0.00000  Uiso   1.00
C801   C     0.68442   0.61418   0.17497   0.00000  Uiso   1.00
C802   C     0.63962   0.62977   0.18453   0.00000  Uiso   1.00
C803   C     0.64218   0.65115   0.16635   0.00000  Uiso   1.00
C804   C     0.76077   0.82214   0.15381   0.00000  Uiso   1.00
C805   C     0.73850   0.80738   0.14334   0.00000  Uiso   1.00
C806   C     0.71945   0.84652   0.12244   0.00000  Uiso   1.00
C807   C     0.74157   0.86190   0.13283   0.00000  Uiso   1.00
C808   C     0.81294   0.84761   0.14699   0.00000  Uiso   1.00
C809   C     0.83846   0.86104   0.15002   0.00000  Uiso   1.00
C810   C     0.81400   0.90363   0.15567   0.00000  Uiso   1.00
C811   C     0.78878   0.89050   0.15304   0.00000  Uiso   1.00
C812   C     0.53529   0.84774   0.08441   0.00000  Uiso   1.00
C813   C     0.51347   0.86624   0.08746   0.00000  Uiso   1.00
C814   C     0.60784   0.85416   0.07596   0.00000  Uiso   1.00
C815   C     0.63074   0.83856   0.08255   0.00000  Uiso   1.00
C816   C     0.53444   0.89477   0.05340   0.00000  Uiso   1.00
C817   C     0.60437   0.79799   0.08801   0.00000  Uiso   1.00
C823   C     0.98007   0.88124   0.17499   0.00000  Uiso   1.00
C824   C     0.95561   0.89639   0.17862   0.00000  Uiso   1.00
C825   C     0.92918   0.85457   0.16585   0.00000  Uiso   1.00
C826   C     0.95436   0.83927   0.16462   0.00000  Uiso   1.00
C835   C     0.58115   0.81181   0.07751   0.00000  Uiso   1.00
C836   C     0.55837   0.87949   0.05469   0.00000  Uiso   1.00
H493   H     0.53429   0.82692   0.09379   0.00000  Uiso   1.00
H494   H     0.89013   0.96129   0.17170   0.00000  Uiso   1.00
H496   H     0.60379   0.56158   0.23824   0.00000  Uiso   1.00
H497   H     0.61937   0.62706   0.19482   0.00000  Uiso   1.00
H498   H     0.61001   0.87555   0.07192   0.00000  Uiso   1.00
H499   H     0.67455   0.52437   0.21321   0.00000  Uiso   1.00
H500   H     0.57789   0.88568   0.04517   0.00000  Uiso   1.00
H501   H     0.64955   0.84891   0.08023   0.00000  Uiso   1.00
H503   H     0.62716   0.66679   0.16352   0.00000  Uiso   1.00
H504   H     0.53452   0.91152   0.03946   0.00000  Uiso   1.00
H505   H     0.70975   0.73392   0.15172   0.00000  Uiso   1.00
H506   H     0.99238   0.81272   0.13286   0.00000  Uiso   1.00
H507   H     0.77750   0.81125   0.16272   0.00000  Uiso   1.00
H509   H     0.63548   0.67896   0.11581   0.00000  Uiso   1.00
H511   H     0.73704   0.78474   0.14695   0.00000  Uiso   1.00
H514   H     0.71018   0.68665   0.16094   0.00000  Uiso   1.00
H515   H     0.99916   0.89248   0.17566   0.00000  Uiso   1.00
H516   H     0.70265   0.85692   0.11287   0.00000  Uiso   1.00
H517   H     0.95674   0.91762   0.18054   0.00000  Uiso   1.00
H518   H     0.91023   0.84576   0.15953   0.00000  Uiso   1.00
H519   H     0.74247   0.88240   0.12679   0.00000  Uiso   1.00
H520   H     0.95578   0.81727   0.15918   0.00000  Uiso   1.00
H523   H     0.81293   0.82619   0.14156   0.00000  Uiso   1.00
H525   H     0.70811   0.63922   0.14751   0.00000  Uiso   1.00
H527   H     0.85594   0.84911   0.14726   0.00000  Uiso   1.00
H530   H     0.63877   0.72841   0.10354   0.00000  Uiso   1.00
H532   H     0.81428   0.92735   0.15702   0.00000  Uiso   1.00
H535   H     0.60375   0.77755   0.09434   0.00000  Uiso   1.00
H537   H     0.70135   0.60122   0.17639   0.00000  Uiso   1.00
H538   H     0.77101   0.90424   0.15186   0.00000  Uiso   1.00
H539   H     0.56137   0.80257   0.07519   0.00000  Uiso   1.00
C838   C     0.62899   0.81170   0.09075   0.00000  Uiso   1.00
C839   C     0.71686   0.81794   0.12816   0.00000  Uiso   1.00
C840   C     0.51183   0.89028   0.07100   0.00000  Uiso   1.00
C843   C     0.66649   0.65433   0.15212   0.00000  Uiso   1.00
C844   C     0.58289   0.84094   0.07376   0.00000  Uiso   1.00
C845   C     0.83842   0.88829   0.15634   0.00000  Uiso   1.00
C847   C     0.67418   0.73442   0.12532   0.00000  Uiso   1.00
C848   C     0.93057   0.88315   0.17124   0.00000  Uiso   1.00
C849   C     0.67239   0.67895   0.13944   0.00000  Uiso   1.00
C850   C     0.65925   0.61016   0.18713   0.00000  Uiso   1.00
C852   C     0.78859   0.86232   0.14841   0.00000  Uiso   1.00
C853   C     0.97862   0.85263   0.16987   0.00000  Uiso   1.00
C854   C     0.76312   0.84967   0.14630   0.00000  Uiso   1.00
C855   C     0.55892   0.85493   0.06938   0.00000  Uiso   1.00
C857   C     0.66188   0.54379   0.21596   0.00000  Uiso   1.00
C858   C     0.62259   0.56243   0.22813   0.00000  Uiso   1.00
C860   C     0.88687   0.93873   0.17117   0.00000  Uiso   1.00
N154   N     0.68003   0.79163   0.03627   0.00000  Uiso   1.00
N155   N     0.68041   0.83749   0.02225   0.00000  Uiso   1.00
N156   N     0.71506   0.82094   0.04792   0.00000  Uiso   1.00
N163   N     0.79917   0.62578   0.12750   0.00000  Uiso   1.00
N164   N     0.84147   0.60520   0.12707   0.00000  Uiso   1.00
N165   N     0.83873   0.65299   0.12513   0.00000  Uiso   1.00
N166   N     0.57819   0.88095   0.34539   0.00000  Uiso   1.00
N167   N     0.57041   0.85185   0.38128   0.00000  Uiso   1.00
N168   N     0.60411   0.88389   0.38338   0.00000  Uiso   1.00
C862   C     0.70397   0.84122   0.03402   0.00000  Uiso   1.00
C864   C     0.66867   0.81285   0.02373   0.00000  Uiso   1.00
C866   C     0.70326   0.79621   0.04873   0.00000  Uiso   1.00
C871   C     0.81450   0.60388   0.12965   0.00000  Uiso   1.00
C872   C     0.81162   0.64969   0.12446   0.00000  Uiso   1.00
C873   C     0.56496   0.85986   0.35637   0.00000  Uiso   1.00
C885   C     0.72092   0.72707   0.07409   0.00000  Uiso   1.00
C886   C     0.70604   0.74808   0.06071   0.00000  Uiso   1.00
C887   C     0.73984   0.78110   0.07593   0.00000  Uiso   1.00
C888   C     0.75281   0.76089   0.08955   0.00000  Uiso   1.00
C889   C     0.75038   0.68840   0.10750   0.00000  Uiso   1.00
C890   C     0.76656   0.66763   0.11714   0.00000  Uiso   1.00
C891   C     0.80651   0.69784   0.11211   0.00000  Uiso   1.00
C892   C     0.78910   0.71851   0.10309   0.00000  Uiso   1.00
C893   C     0.51971   0.81342   0.02234   0.00000  Uiso   1.00
C904   C     0.71946   0.97184   0.04007   0.00000  Uiso   1.00
C905   C     0.71987   0.99730   0.05133   0.00000  Uiso   1.00
C906   C     0.74590   0.98106   0.08962   0.00000  Uiso   1.00
C907   C     0.74283   0.95472   0.08053   0.00000  Uiso   1.00
C908   C     0.74280   0.90254   0.05224   0.00000  Uiso   1.00
C909   C     0.73864   0.87501   0.04613   0.00000  Uiso   1.00
C910   C     0.69698   0.88972   0.02241   0.00000  Uiso   1.00
C911   C     0.70148   0.91645   0.03035   0.00000  Uiso   1.00
C912   C     0.51163   0.81423   0.33732   0.00000  Uiso   1.00
C913   C     0.52869   0.82916   0.35490   0.00000  Uiso   1.00
C914   C     0.54050   0.85330   0.31370   0.00000  Uiso   1.00
C915   C     0.52182   0.84092   0.29793   0.00000  Uiso   1.00
C920   C     0.54380   0.80301   0.01017   0.00000  Uiso   1.00
C933   C     0.80740   0.52952   0.14251   0.00000  Uiso   1.00
C934   C     0.81874   0.55501   0.14140   0.00000  Uiso   1.00
C935   C     0.77306   0.57620   0.13884   0.00000  Uiso   1.00
C936   C     0.76100   0.54957   0.13966   0.00000  Uiso   1.00
C940   C     0.62850   0.78615   0.01050   0.00000  Uiso   1.00
C941   C     0.60030   0.78793   0.00251   0.00000  Uiso   1.00
H541   H     0.77156   0.76707   0.10078   0.00000  Uiso   1.00
H542   H     0.70696   0.96929   0.02202   0.00000  Uiso   1.00
H544   H     0.75615   0.98483   0.10856   0.00000  Uiso   1.00
H545   H     0.72816   0.68652   0.10742   0.00000  Uiso   1.00
H546   H     0.74466   0.93843   0.09573   0.00000  Uiso   1.00
H547   H     0.76076   0.90829   0.06279   0.00000  Uiso   1.00
H548   H     0.75768   0.64830   0.12213   0.00000  Uiso   1.00
H549   H     0.75103   0.85946   0.05632   0.00000  Uiso   1.00
H550   H     0.67801   0.88482   0.01168   0.00000  Uiso   1.00
H551   H     0.58774   0.77121   0.00855   0.00000  Uiso   1.00
H552   H     0.68689   0.93225   0.02361   0.00000  Uiso   1.00
H553   H     0.82751   0.70155   0.11264   0.00000  Uiso   1.00
H556   H     0.53014   0.82404   0.37598   0.00000  Uiso   1.00
H557   H     0.79961   0.73685   0.09533   0.00000  Uiso   1.00
H558   H     0.55384   0.86707   0.30365   0.00000  Uiso   1.00
H559   H     0.51949   0.84766   0.27723   0.00000  Uiso   1.00
H561   H     0.50105   0.80037   0.25766   0.00000  Uiso   1.00
H566   H     0.60985   0.91112   0.35173   0.00000  Uiso   1.00
H567   H     0.50708   0.80117   0.03558   0.00000  Uiso   1.00
H569   H     0.87367   0.63179   0.12416   0.00000  Uiso   1.00
H570   H     0.59538   0.85859   0.41456   0.00000  Uiso   1.00
H571   H     0.54921   0.78248   0.01390   0.00000  Uiso   1.00
H583   H     0.71347   0.70709   0.07098   0.00000  Uiso   1.00
H591   H     0.74533   0.50943   0.10215   0.00000  Uiso   1.00
H592   H     0.68825   0.74135   0.04976   0.00000  Uiso   1.00
H593   H     0.81912   0.51128   0.14315   0.00000  Uiso   1.00
H595   H     0.84053   0.55913   0.14078   0.00000  Uiso   1.00
H596   H     0.76160   0.59471   0.13604   0.00000  Uiso   1.00
H598   H     0.74055   0.54563   0.13825   0.00000  Uiso   1.00
H607   H     0.74835   0.80065   0.07632   0.00000  Uiso   1.00
H611   H     0.63500   0.76988   0.02346   0.00000  Uiso   1.00
C946   C     0.77003   0.50010   0.13750   0.00000  Uiso   1.00
C947   C     0.72390   0.92301   0.04613   0.00000  Uiso   1.00
C951   C     0.80165   0.57760   0.13588   0.00000  Uiso   1.00
C952   C     0.71695   0.77452   0.06130   0.00000  Uiso   1.00
C953   C     0.74419   0.73323   0.08870   0.00000  Uiso   1.00
C955   C     0.51084   0.83898   0.01322   0.00000  Uiso   1.00
C956   C     0.77896   0.52690   0.14093   0.00000  Uiso   1.00
C960   C     0.71464   0.86873   0.03170   0.00000  Uiso   1.00
C965   C     0.54378   0.84818   0.34135   0.00000  Uiso   1.00
C966   C     0.64542   0.80879   0.00875   0.00000  Uiso   1.00
C967   C     0.79530   0.67145   0.11881   0.00000  Uiso   1.00
C970   C     0.76101   0.71272   0.10080   0.00000  Uiso   1.00
C971   C     0.73056   0.94971   0.05425   0.00000  Uiso   1.00
C972   C     0.50627   0.82074   0.30999   0.00000  Uiso   1.00
C974   C     0.85247   0.62954   0.12545   0.00000  Uiso   1.00
C975   C     0.59819   0.89227   0.35896   0.00000  Uiso   1.00
C977   C     0.58984   0.86438   0.39422   0.00000  Uiso   1.00
N184   N     0.51191   0.62137   0.31521   0.00000  Uiso   1.00
N185   N     0.54830   0.59137   0.30985   0.00000  Uiso   1.00
N186   N     0.53232   0.60204   0.35167   0.00000  Uiso   1.00
N189   N     0.50176   0.60017   0.08796   0.00000  Uiso   1.00
N191   N     0.95678   0.54371   0.10400   0.00000  Uiso   1.00
N192   N     0.98841   0.54481   0.13876   0.00000  Uiso   1.00
C988   C     0.52866   0.60790   0.29942   0.00000  Uiso   1.00
C989   C     0.54996   0.58801   0.33595   0.00000  Uiso   1.00
C990   C     0.51383   0.61918   0.34177   0.00000  Uiso   1.00
C993   C     0.97616   0.55382   0.08659   0.00000  Uiso   1.00
C994   C     0.96405   0.53729   0.12947   0.00000  Uiso   1.00
C1001  C     0.57317   0.56846   0.37487   0.00000  Uiso   1.00
C1002  C     0.58699   0.55691   0.32916   0.00000  Uiso   1.00
C1003  C     0.60688   0.53764   0.33878   0.00000  Uiso   1.00
C1006  C     0.65296   0.50878   0.36393   0.00000  Uiso   1.00
C1007  C     0.53858   0.59951   0.22633   0.00000  Uiso   1.00
C1008  C     0.54333   0.59826   0.25350   0.00000  Uiso   1.00
C1009  C     0.50533   0.62934   0.26161   0.00000  Uiso   1.00
C1010  C     0.50115   0.62874   0.23382   0.00000  Uiso   1.00
C1013  C     0.51267   0.59731   0.14171   0.00000  Uiso   1.00
C1014  C     0.51640   0.59471   0.16981   0.00000  Uiso   1.00
C1020  C     0.95443   0.51098   0.17109   0.00000  Uiso   1.00
C1021  C     0.91987   0.51605   0.13571   0.00000  Uiso   1.00
C1044  C     0.62324   0.50260   0.40330   0.00000  Uiso   1.00
C1064  C     0.93345   0.57418   0.02574   0.00000  Uiso   1.00
C1065  C     0.94092   0.56078   0.05066   0.00000  Uiso   1.00
C1066  C     0.98844   0.57255   0.04206   0.00000  Uiso   1.00
C1067  C     0.97925   0.58990   0.02137   0.00000  Uiso   1.00
C1082  C     0.59360   0.55036   0.38498   0.00000  Uiso   1.00
H615   H     0.55338   0.58873   0.21276   0.00000  Uiso   1.00
H620   H     0.61829   0.52690   0.32416   0.00000  Uiso   1.00
H625   H     0.56199   0.58879   0.26263   0.00000  Uiso   1.00
H630   H     0.97226   0.51671   0.18095   0.00000  Uiso   1.00
H634   H     0.91303   0.52479   0.11739   0.00000  Uiso   1.00
H655   H     0.60602   0.50929   0.41587   0.00000  Uiso   1.00
H657   H     0.91213   0.57525   0.02058   0.00000  Uiso   1.00
H658   H     0.92466   0.55365   0.06286   0.00000  Uiso   1.00
H662   H     0.99565   0.60113   0.01097   0.00000  Uiso   1.00
H665   H     0.51158   0.61642   0.39519   0.00000  Uiso   1.00
H678   H     0.65567   0.51885   0.34457   0.00000  Uiso   1.00
H682   H     0.50607   0.58615   0.04695   0.00000  Uiso   1.00
H685   H     0.51762   0.58094   0.12841   0.00000  Uiso   1.00
H691   H     0.59817   0.55086   0.40627   0.00000  Uiso   1.00
H696   H     0.52815   0.57793   0.17789   0.00000  Uiso   1.00
H701   H     0.58400   0.56036   0.30727   0.00000  Uiso   1.00
H710   H     0.56086   0.58179   0.38813   0.00000  Uiso   1.00
C1103  C     0.95254   0.58927   0.01070   0.00000  Uiso   1.00
C1106  C     0.51629   0.61449   0.21530   0.00000  Uiso   1.00
C1111  C     0.94587   0.52271   0.14621   0.00000  Uiso   1.00
C1117  C     0.50959   0.61597   0.18790   0.00000  Uiso   1.00
C1121  C     0.57091   0.57196   0.34681   0.00000  Uiso   1.00
C1122  C     0.60966   0.53383   0.36690   0.00000  Uiso   1.00
C1127  C     0.62962   0.51632   0.37906   0.00000  Uiso   1.00
C1137  C     0.96930   0.56079   0.05885   0.00000  Uiso   1.00
C1138  C     0.52608   0.61221   0.27177   0.00000  Uiso   1.00
H739   H     0.76676   0.52043   0.21080   0.00000  Uiso   1.00
H746   H     0.88334   0.55456   0.21086   0.00000  Uiso   1.00
H766   H     0.82526   0.66491   0.18987   0.00000  Uiso   1.00
H767   H     0.84590   0.62509   0.18912   0.00000  Uiso   1.00
H768   H     0.76690   0.58840   0.20344   0.00000  Uiso   1.00
H769   H     0.74784   0.63123   0.20846   0.00000  Uiso   1.00
H770   H     0.81103   0.70707   0.19371   0.00000  Uiso   1.00
H771   H     0.78971   0.74959   0.20028   0.00000  Uiso   1.00
H772   H     0.71416   0.71066   0.22006   0.00000  Uiso   1.00
H773   H     0.73572   0.66524   0.21802   0.00000  Uiso   1.00
H774   H     0.75991   0.82017   0.22377   0.00000  Uiso   1.00
H775   H     0.68253   0.78739   0.23906   0.00000  Uiso   1.00
H778   H     0.54008   0.56109   0.04081   0.00000  Uiso   1.00
H779   H     0.58859   0.56732   0.05618   0.00000  Uiso   1.00
H782   H     0.70081   0.52659   0.07316   0.00000  Uiso   1.00
H783   H     0.67617   0.56330   0.04625   0.00000  Uiso   1.00
H784   H     0.62753   0.56002   0.04091   0.00000  Uiso   1.00
N203   N     0.80883   0.55301   0.20562   0.00000  Uiso   1.00
N204   N     0.84869   0.57490   0.20029   0.00000  Uiso   1.00
N205   N     0.84917   0.52957   0.21498   0.00000  Uiso   1.00
N210   N     0.50052   0.53475   0.02331   0.00000  Uiso   1.00
N217   N     0.72078   0.80622   0.23183   0.00000  Uiso   1.00
N219   N     0.71406   0.75914   0.22808   0.00000  Uiso   1.00
N220   N     0.75675   0.77839   0.21660   0.00000  Uiso   1.00
C1150  C     0.82246   0.53014   0.21208   0.00000  Uiso   1.00
C1154  C     0.51478   0.51312   0.03207   0.00000  Uiso   1.00
C1160  C     0.82140   0.57623   0.19965   0.00000  Uiso   1.00
C1161  C     0.74057   0.75659   0.22085   0.00000  Uiso   1.00
C1167  C     0.70404   0.78421   0.23179   0.00000  Uiso   1.00
C1168  C     0.86172   0.55170   0.20635   0.00000  Uiso   1.00
C1169  C     0.74682   0.80232   0.22426   0.00000  Uiso   1.00
C1195  C     0.81100   0.65010   0.19122   0.00000  Uiso   1.00
C1196  C     0.82425   0.62445   0.19191   0.00000  Uiso   1.00
C1198  C     0.77990   0.60510   0.20117   0.00000  Uiso   1.00
C1200  C     0.76866   0.63180   0.20331   0.00000  Uiso   1.00
C1202  C     0.79085   0.70622   0.20112   0.00000  Uiso   1.00
C1204  C     0.77793   0.73081   0.20460   0.00000  Uiso   1.00
C1206  C     0.73484   0.70930   0.21495   0.00000  Uiso   1.00
C1208  C     0.74627   0.68405   0.21289   0.00000  Uiso   1.00
C1218  C     0.55102   0.54339   0.04685   0.00000  Uiso   1.00
C1219  C     0.57808   0.54782   0.05497   0.00000  Uiso   1.00
C1220  C     0.63416   0.50997   0.08461   0.00000  Uiso   1.00
C1222  C     0.66300   0.50878   0.08587   0.00000  Uiso   1.00
C1223  C     0.67848   0.52872   0.07207   0.00000  Uiso   1.00
C1224  C     0.77869   0.50388   0.21770   0.00000  Uiso   1.00
C1225  C     0.66576   0.54795   0.05597   0.00000  Uiso   1.00
C1227  C     0.63786   0.54656   0.05368   0.00000  Uiso   1.00
C1234  C     0.78374   0.65493   0.19740   0.00000  Uiso   1.00
C1238  C     0.53985   0.51695   0.04438   0.00000  Uiso   1.00
C1243  C     0.59367   0.52572   0.06293   0.00000  Uiso   1.00
C1244  C     0.75089   0.73241   0.21247   0.00000  Uiso   1.00
C1250  C     0.77447   0.68142   0.20340   0.00000  Uiso   1.00
C1252  C     0.80852   0.60200   0.19747   0.00000  Uiso   1.00
C1253  C     0.80741   0.50614   0.21706   0.00000  Uiso   1.00
C1254  C     0.62134   0.52857   0.06726   0.00000  Uiso   1.00
C1270  C     0.50998   0.80603   0.44969   0.00000  Uiso   1.00
C1288  C     0.54821   0.83636   0.47829   0.00000  Uiso   1.00
C1298  C     0.56731   0.84508   0.49793   0.00000  Uiso   1.00
C1313  C     0.51787   0.70109   0.28455   0.00000  Uiso   1.00
C1314  C     0.52940   0.69364   0.25987   0.00000  Uiso   1.00
C1315  C     0.51533   0.69707   0.23585   0.00000  Uiso   1.00
C1322  C     0.95127   0.61855   0.17714   0.00000  Uiso   1.00
C1323  C     0.92440   0.61056   0.17115   0.00000  Uiso   1.00
C1324  C     0.91835   0.60645   0.14332   0.00000  Uiso   1.00
C1325  C     0.93588   0.61645   0.12295   0.00000  Uiso   1.00
C1326  C     0.96138   0.62846   0.12935   0.00000  Uiso   1.00
H785   H     0.55542   0.82811   0.45947   0.00000  Uiso   1.00
H789   H     0.58838   0.84139   0.49431   0.00000  Uiso   1.00
H810   H     0.53095   0.79896   0.45385   0.00000  Uiso   1.00
H813   H     0.51845   0.73357   0.32703   0.00000  Uiso   1.00
H815   H     0.52873   0.69736   0.30365   0.00000  Uiso   1.00
H817   H     0.54832   0.68313   0.25938   0.00000  Uiso   1.00
H818   H     0.52540   0.69527   0.21641   0.00000  Uiso   1.00
H822   H     0.98221   0.66185   0.19762   0.00000  Uiso   1.00
H828   H     0.95738   0.61671   0.19817   0.00000  Uiso   1.00
H830   H     0.90784   0.60407   0.18527   0.00000  Uiso   1.00
H831   H     0.89973   0.59659   0.13553   0.00000  Uiso   1.00
H833   H     0.93099   0.61850   0.10145   0.00000  Uiso   1.00
H835   H     0.97585   0.63310   0.11397   0.00000  Uiso   1.00
C1355  C     0.99585   0.63763   0.16434   0.00000  Uiso   1.00
C1356  C     0.50118   0.82846   0.46500   0.00000  Uiso   1.00
C1364  C     0.52026   0.83958   0.48325   0.00000  Uiso   1.00
C1368  C     0.96951   0.62798   0.15661   0.00000  Uiso   1.00
N256   N     0.95491   0.68231   0.10149   0.00000  Uiso   1.00
N257   N     0.91005   0.69025   0.08922   0.00000  Uiso   1.00
N258   N     0.94135   0.67564   0.05729   0.00000  Uiso   1.00
N259   N     0.83905   0.61758   0.26215   0.00000  Uiso   1.00
N260   N     0.79381   0.61624   0.27568   0.00000  Uiso   1.00
N261   N     0.81478   0.65579   0.26621   0.00000  Uiso   1.00
N262   N     0.61796   0.75731   0.32727   0.00000  Uiso   1.00
N263   N     0.61140   0.71957   0.35513   0.00000  Uiso   1.00
N264   N     0.57731   0.74988   0.34875   0.00000  Uiso   1.00
N268   N     0.50159   0.74889   0.08568   0.00000  Uiso   1.00
N269   N     0.52048   0.71378   0.06042   0.00000  Uiso   1.00
N270   N     0.54925   0.74561   0.07858   0.00000  Uiso   1.00
C1454  C     0.92981   0.69041   0.10769   0.00000  Uiso   1.00
C1456  C     0.91615   0.68267   0.06398   0.00000  Uiso   1.00
C1458  C     0.96099   0.67670   0.07662   0.00000  Uiso   1.00
C1459  C     0.79326   0.64271   0.27332   0.00000  Uiso   1.00
C1460  C     0.83741   0.64390   0.25998   0.00000  Uiso   1.00
C1461  C     0.62779   0.73458   0.33882   0.00000  Uiso   1.00
C1463  C     0.54429   0.72321   0.06523   0.00000  Uiso   1.00
C1464  C     0.86629   0.68975   0.05521   0.00000  Uiso   1.00
C1465  C     0.84484   0.68207   0.03962   0.00000  Uiso   1.00
C1466  C     0.90315   0.66126   0.22753   0.00000  Uiso   1.00
C1467  C     0.88423   0.64656   0.24282   0.00000  Uiso   1.00
C1468  C     0.85606   0.68810   0.24642   0.00000  Uiso   1.00
C1469  C     0.87512   0.70185   0.22962   0.00000  Uiso   1.00
C1470  C     0.88628   0.69234   0.16939   0.00000  Uiso   1.00
C1471  C     0.89539   0.69283   0.14233   0.00000  Uiso   1.00
C1472  C     0.94112   0.69115   0.15701   0.00000  Uiso   1.00
C1473  C     0.93260   0.69207   0.18414   0.00000  Uiso   1.00
C1486  C     0.99761   0.66163   0.04495   0.00000  Uiso   1.00
C1493  C     0.68837   0.68877   0.33493   0.00000  Uiso   1.00
C1494  C     0.66464   0.69975   0.34544   0.00000  Uiso   1.00
C1495  C     0.66891   0.73485   0.30972   0.00000  Uiso   1.00
C1496  C     0.69111   0.72263   0.29918   0.00000  Uiso   1.00
C1497  C     0.74589   0.69969   0.28942   0.00000  Uiso   1.00
C1498  C     0.76834   0.68612   0.27860   0.00000  Uiso   1.00
C1499  C     0.74665   0.64343   0.28991   0.00000  Uiso   1.00
C1500  C     0.72410   0.65746   0.30007   0.00000  Uiso   1.00
C1501  C     0.63022   0.64664   0.00383   0.00000  Uiso   1.00
C1502  C     0.65394   0.62997   0.00165   0.00000  Uiso   1.00
C1503  C     0.68072   0.67146   0.00035   0.00000  Uiso   1.00
C1504  C     0.65870   0.68763   0.00638   0.00000  Uiso   1.00
C1505  C     0.58507   0.67622   0.02046   0.00000  Uiso   1.00
C1506  C     0.56383   0.68650   0.03668   0.00000  Uiso   1.00
C1507  C     0.59355   0.72040   0.05494   0.00000  Uiso   1.00
C1508  C     0.61540   0.71065   0.03840   0.00000  Uiso   1.00
C1509  C     0.89648   0.67131   0.02051   0.00000  Uiso   1.00
C1512  C     0.87446   0.66249   0.00563   0.00000  Uiso   1.00
H911   H     0.83781   0.69789   0.25296   0.00000  Uiso   1.00
H913   H     0.94858   0.68929   0.19964   0.00000  Uiso   1.00
H914   H     0.99765   0.67673   0.11189   0.00000  Uiso   1.00
H915   H     0.98232   0.66187   0.02865   0.00000  Uiso   1.00
H916   H     0.86342   0.70017   0.07324   0.00000  Uiso   1.00
H920   H     0.87007   0.72154   0.22011   0.00000  Uiso   1.00
H927   H     0.69606   0.67207   0.34695   0.00000  Uiso   1.00
H928   H     0.88719   0.62435   0.24568   0.00000  Uiso   1.00
H929   H     0.65190   0.69115   0.36262   0.00000  Uiso   1.00
H931   H     0.66197   0.75155   0.29840   0.00000  Uiso   1.00
H932   H     0.70024   0.73136   0.28163   0.00000  Uiso   1.00
H933   H     0.86515   0.69181   0.17378   0.00000  Uiso   1.00
H934   H     0.74374   0.72238   0.28765   0.00000  Uiso   1.00
H936   H     0.78496   0.69703   0.27206   0.00000  Uiso   1.00
H937   H     0.74582   0.62131   0.29100   0.00000  Uiso   1.00
H939   H     0.70388   0.64696   0.30459   0.00000  Uiso   1.00
H940   H     0.61144   0.63481   0.00724   0.00000  Uiso   1.00
H941   H     0.87950   0.69644   0.12706   0.00000  Uiso   1.00
H942   H     0.65021   0.60789   0.00082   0.00000  Uiso   1.00
H945   H     0.66327   0.70756   0.01213   0.00000  Uiso   1.00
H947   H     0.58233   0.66246   0.00418   0.00000  Uiso   1.00
H948   H     0.54360   0.68050   0.03233   0.00000  Uiso   1.00
H949   H     0.91633   0.64689   0.21697   0.00000  Uiso   1.00
H950   H     0.59602   0.73982   0.06483   0.00000  Uiso   1.00
H951   H     0.63494   0.71983   0.03875   0.00000  Uiso   1.00
H952   H     0.58356   0.78172   0.32203   0.00000  Uiso   1.00
H954   H     0.81643   0.58231   0.27496   0.00000  Uiso   1.00
H955   H     0.57344   0.71759   0.37443   0.00000  Uiso   1.00
H956   H     0.80071   0.69486   0.00553   0.00000  Uiso   1.00
H959   H     0.91576   0.66723   0.01282   0.00000  Uiso   1.00
H960   H     0.82353   0.68792   0.04491   0.00000  Uiso   1.00
H963   H     0.53136   0.77607   0.09985   0.00000  Uiso   1.00
H965   H     0.96168   0.68702   0.15194   0.00000  Uiso   1.00
C1513  C     0.56796   0.70901   0.05316   0.00000  Uiso   1.00
C1514  C     0.65357   0.72429   0.33244   0.00000  Uiso   1.00
C1515  C     0.89740   0.68787   0.21940   0.00000  Uiso   1.00
C1517  C     0.61104   0.68742   0.02241   0.00000  Uiso   1.00
C1518  C     0.72277   0.68603   0.30060   0.00000  Uiso   1.00
C1523  C     0.70043   0.69897   0.31161   0.00000  Uiso   1.00
C1525  C     0.84789   0.66765   0.01486   0.00000  Uiso   1.00
C1526  C     0.98801   0.66909   0.07079   0.00000  Uiso   1.00
C1527  C     0.92320   0.69247   0.13526   0.00000  Uiso   1.00
C1529  C     0.63276   0.67523   0.00896   0.00000  Uiso   1.00
C1530  C     0.90498   0.69216   0.19149   0.00000  Uiso   1.00
C1532  C     0.76894   0.65710   0.27952   0.00000  Uiso   1.00
C1534  C     0.89316   0.68204   0.04685   0.00000  Uiso   1.00
C1535  C     0.85920   0.65913   0.25149   0.00000  Uiso   1.00
C1538  C     0.58755   0.72828   0.36078   0.00000  Uiso   1.00
C1539  C     0.59291   0.76451   0.33242   0.00000  Uiso   1.00
C1541  C     0.81786   0.60352   0.27101   0.00000  Uiso   1.00
C1542  C     0.52723   0.75824   0.08805   0.00000  Uiso   1.00
C1633  C     0.77332   0.81394   0.00152   0.00000  Uiso   1.00
C1636  C     0.76607   0.76625   0.00111   0.00000  Uiso   1.00
C1637  C     0.81413   0.76240   0.04145   0.00000  Uiso   1.00
C1638  C     0.83259   0.76231   0.06342   0.00000  Uiso   1.00
C1639  C     0.83320   0.78433   0.08054   0.00000  Uiso   1.00
C1640  C     0.81575   0.80667   0.07671   0.00000  Uiso   1.00
C1641  C     0.80133   0.80869   0.05206   0.00000  Uiso   1.00
H1021  H     0.77991   0.83392   0.00974   0.00000  Uiso   1.00
H1026  H     0.76829   0.74544   0.00745   0.00000  Uiso   1.00
H1028  H     0.81046   0.74526   0.02675   0.00000  Uiso   1.00
H1030  H     0.84676   0.74450   0.06656   0.00000  Uiso   1.00
H1032  H     0.84716   0.78254   0.09755   0.00000  Uiso   1.00
H1034  H     0.81790   0.82487   0.08833   0.00000  Uiso   1.00
H1035  H     0.79134   0.82731   0.04987   0.00000  Uiso   1.00
C1687  C     0.78088   0.78821   0.01088   0.00000  Uiso   1.00
C1703  C     0.79889   0.78638   0.03411   0.00000  Uiso   1.00
N13    N     0.26606   0.53199   0.91786   0.00000  Uiso   1.00
N14    N     0.24425   0.55293   0.88333   0.00000  Uiso   1.00
N15    N     0.26340   0.57934   0.91765   0.00000  Uiso   1.00
C4     C     0.25483   0.53133   0.89347   0.00000  Uiso   1.00
C5     C     0.24936   0.57655   0.89508   0.00000  Uiso   1.00
H23    H     0.28181   0.59993   0.95862   0.00000  Uiso   1.00
H24    H     0.28535   0.51223   0.95845   0.00000  Uiso   1.00
H38    H     0.24643   0.51213   0.88448   0.00000  Uiso   1.00
H41    H     0.24012   0.59424   0.88737   0.00000  Uiso   1.00
C15    C     0.27076   0.55615   0.92964   0.00000  Uiso   1.00
C46    C     0.29004   0.53102   0.96881   0.00000  Uiso   1.00
C64    C     0.30177   0.53212   0.99427   0.00000  Uiso   1.00
C65    C     0.29285   0.58054   0.99641   0.00000  Uiso   1.00
C68    C     0.28803   0.58137   0.96841   0.00000  Uiso   1.00
C73    C     0.28420   0.55611   0.95508   0.00000  Uiso   1.00
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N23    N     0.47655   0.12943   0.84440   0.00000  Uiso   1.00
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N38    N     0.42419   0.08651   0.58336   0.00000  Uiso   1.00
N39    N     0.40048   0.05082   0.60074   0.00000  Uiso   1.00
C95    C     0.47668   0.14823   0.82629   0.00000  Uiso   1.00
C97    C     0.46558   0.12080   0.79226   0.00000  Uiso   1.00
C104   C     0.42358   0.07400   0.55940   0.00000  Uiso   1.00
C105   C     0.41358   0.07504   0.60422   0.00000  Uiso   1.00
C106   C     0.39924   0.03875   0.57624   0.00000  Uiso   1.00
C111   C     0.47073   0.10464   0.83566   0.00000  Uiso   1.00
C115   C     0.49875   0.20008   0.87681   0.00000  Uiso   1.00
C126   C     0.48729   0.17659   0.86556   0.00000  Uiso   1.00
C136   C     0.43625   0.12003   0.66105   0.00000  Uiso   1.00
C137   C     0.43088   0.11060   0.63535   0.00000  Uiso   1.00
C138   C     0.41344   0.06756   0.65301   0.00000  Uiso   1.00
C139   C     0.41871   0.07708   0.67827   0.00000  Uiso   1.00
C140   C     0.44757   0.13205   0.72097   0.00000  Uiso   1.00
C141   C     0.45803   0.13630   0.74675   0.00000  Uiso   1.00
C142   C     0.45274   0.08865   0.75612   0.00000  Uiso   1.00
C143   C     0.44346   0.08468   0.72984   0.00000  Uiso   1.00
C144   C     0.48610   0.19635   0.82049   0.00000  Uiso   1.00
C145   C     0.46393   0.03337   0.86153   0.00000  Uiso   1.00
C146   C     0.49388   0.22179   0.83111   0.00000  Uiso   1.00
C153   C     0.37393   0.00131   0.59303   0.00000  Uiso   1.00
C155   C     0.45917   0.48066   0.91649   0.00000  Uiso   1.00
C158   C     0.43828   0.48542   0.86403   0.00000  Uiso   1.00
C159   C     0.45414   0.46264   0.87152   0.00000  Uiso   1.00
C162   C     0.48983   0.38719   0.89815   0.00000  Uiso   1.00
C163   C     0.47404   0.40989   0.89393   0.00000  Uiso   1.00
C172   C     0.46501   0.05524   0.84249   0.00000  Uiso   1.00
C173   C     0.48545   0.08304   0.87708   0.00000  Uiso   1.00
C175   C     0.48759   0.05910   0.89452   0.00000  Uiso   1.00
C186   C     0.43645   0.07493   0.51071   0.00000  Uiso   1.00
C187   C     0.44810   0.11234   0.53926   0.00000  Uiso   1.00
C188   C     0.45888   0.12652   0.51698   0.00000  Uiso   1.00
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H60    H     0.45200   0.07041   0.76922   0.00000  Uiso   1.00
H61    H     0.44017   0.06377   0.72369   0.00000  Uiso   1.00
H63    H     0.48191   0.19450   0.79877   0.00000  Uiso   1.00
H64    H     0.45381   0.01526   0.85465   0.00000  Uiso   1.00
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H80    H     0.46706   0.47856   0.93682   0.00000  Uiso   1.00
H84    H     0.42873   0.48501   0.84405   0.00000  Uiso   1.00
H86    H     0.46294   0.44885   0.85558   0.00000  Uiso   1.00
H91    H     0.48357   0.36849   0.88707   0.00000  Uiso   1.00
H92    H     0.45822   0.40782   0.87919   0.00000  Uiso   1.00
H93    H     0.49670   0.31595   0.87082   0.00000  Uiso   1.00
H111   H     0.45607   0.04967   0.82330   0.00000  Uiso   1.00
H112   H     0.49593   0.23914   0.81843   0.00000  Uiso   1.00
H114   H     0.49160   0.10270   0.88414   0.00000  Uiso   1.00
H119   H     0.48476   0.15866   0.87830   0.00000  Uiso   1.00
H126   H     0.44835   0.13750   0.66519   0.00000  Uiso   1.00
H130   H     0.43392   0.12266   0.61692   0.00000  Uiso   1.00
H133   H     0.42710   0.05396   0.51075   0.00000  Uiso   1.00
H134   H     0.40465   0.04683   0.65109   0.00000  Uiso   1.00
H135   H     0.44795   0.12251   0.55998   0.00000  Uiso   1.00
H137   H     0.46685   0.14802   0.51914   0.00000  Uiso   1.00
H138   H     0.40809   0.06517   0.69438   0.00000  Uiso   1.00
H142   H     0.44433   0.15007   0.71065   0.00000  Uiso   1.00
H146   H     0.48181   0.27442   0.85123   0.00000  Uiso   1.00
C195   C     0.45954   0.11535   0.76480   0.00000  Uiso   1.00
C196   C     0.38920   0.01321   0.57192   0.00000  Uiso   1.00
C200   C     0.48288   0.17447   0.83788   0.00000  Uiso   1.00
C201   C     0.46363   0.45845   0.89811   0.00000  Uiso   1.00
C204   C     0.44035   0.10645   0.71036   0.00000  Uiso   1.00
C212   C     0.41865   0.08502   0.63171   0.00000  Uiso   1.00
C213   C     0.48684   0.00787   0.89833   0.00000  Uiso   1.00
C215   C     0.43690   0.08716   0.53656   0.00000  Uiso   1.00
C217   C     0.48076   0.43533   0.90514   0.00000  Uiso   1.00
C220   C     0.47422   0.08090   0.85052   0.00000  Uiso   1.00
C221   C     0.43105   0.10200   0.68344   0.00000  Uiso   1.00
C229   C     0.47885   0.03341   0.88608   0.00000  Uiso   1.00
N88    N     0.31512   0.45115   0.91204   0.00000  Uiso   1.00
N89    N     0.30444   0.40690   0.90529   0.00000  Uiso   1.00
N90    N     0.33288   0.41850   0.94119   0.00000  Uiso   1.00
C351   C     0.30150   0.43221   0.89912   0.00000  Uiso   1.00
C352   C     0.32026   0.40026   0.92651   0.00000  Uiso   1.00
H276   H     0.33487   0.49825   0.91731   0.00000  Uiso   1.00
H277   H     0.36030   0.43980   0.97644   0.00000  Uiso   1.00
H284   H     0.29235   0.43645   0.87944   0.00000  Uiso   1.00
H285   H     0.32069   0.37740   0.93083   0.00000  Uiso   1.00
C366   C     0.33004   0.44366   0.93241   0.00000  Uiso   1.00
C414   C     0.34290   0.49204   0.93605   0.00000  Uiso   1.00
C416   C     0.35657   0.45921   0.96920   0.00000  Uiso   1.00
C418   C     0.37237   0.47972   0.98071   0.00000  Uiso   1.00
C439   C     0.34089   0.46475   0.94636   0.00000  Uiso   1.00
N103   N     0.46536   0.03042   0.59614   0.00000  Uiso   1.00
N105   N     0.44738   0.00410   0.63231   0.00000  Uiso   1.00
C474   C     0.46045   0.00823   0.58001   0.00000  Uiso   1.00
C493   C     0.47891   0.03385   0.54289   0.00000  Uiso   1.00
C494   C     0.48183   0.03967   0.51455   0.00000  Uiso   1.00
H289   H     0.49224   0.05778   0.50811   0.00000  Uiso   1.00
H313   H     0.46333   0.04022   0.63904   0.00000  Uiso   1.00
H334   H     0.30252   0.39819   0.98875   0.00000  Uiso   1.00
H375   H     0.48543   0.04913   0.55585   0.00000  Uiso   1.00
C589   C     0.46631   0.01006   0.55183   0.00000  Uiso   1.00
C606   C     0.45930   0.02678   0.62331   0.00000  Uiso   1.00
H377   H     0.48850   0.28392   0.53903   0.00000  Uiso   1.00
C617   C     0.49539   0.27033   0.52280   0.00000  Uiso   1.00
N172   N     0.42034   0.09144   0.98738   0.00000  Uiso   1.00
N173   N     0.41827   0.12781   0.95848   0.00000  Uiso   1.00
N174   N     0.43004   0.08497   0.94161   0.00000  Uiso   1.00
C875   C     0.42936   0.07474   0.96758   0.00000  Uiso   1.00
C925   C     0.44263   0.00125   0.96267   0.00000  Uiso   1.00
C926   C     0.44013   0.02862   0.95617   0.00000  Uiso   1.00
H581   H     0.44641   0.03445   0.93619   0.00000  Uiso   1.00
H604   H     0.40803   0.12764   0.99986   0.00000  Uiso   1.00
H606   H     0.42283   0.11842   0.91625   0.00000  Uiso   1.00
C963   C     0.43135   0.04700   0.97495   0.00000  Uiso   1.00
C973   C     0.41750   0.11655   0.98332   0.00000  Uiso   1.00
C976   C     0.42448   0.11130   0.93778   0.00000  Uiso   1.00
H722   H     0.48802   0.19991   0.98438   0.00000  Uiso   1.00
H737   H     0.41209   0.23774   0.98447   0.00000  Uiso   1.00
H759   H     0.44072   0.46950   0.98658   0.00000  Uiso   1.00
H760   H     0.43056   0.42375   0.96916   0.00000  Uiso   1.00
H761   H     0.41474   0.37621   0.98843   0.00000  Uiso   1.00
H762   H     0.40866   0.32756   0.98506   0.00000  Uiso   1.00
H763   H     0.49668   0.32029   0.97162   0.00000  Uiso   1.00
H764   H     0.49908   0.36893   0.96879   0.00000  Uiso   1.00
N216   N     0.47498   0.27832   0.97462   0.00000  Uiso   1.00
N218   N     0.45421   0.23512   0.97795   0.00000  Uiso   1.00
N221   N     0.42712   0.27555   0.97724   0.00000  Uiso   1.00
C1159  C     0.47538   0.25103   0.97392   0.00000  Uiso   1.00
C1162  C     0.44998   0.29067   0.97749   0.00000  Uiso   1.00
C1170  C     0.43090   0.24838   0.98081   0.00000  Uiso   1.00
C1181  C     0.45219   0.45185   0.99325   0.00000  Uiso   1.00
C1183  C     0.44686   0.42573   0.98345   0.00000  Uiso   1.00
C1185  C     0.43208   0.36490   0.98324   0.00000  Uiso   1.00
C1186  C     0.42901   0.33563   0.98217   0.00000  Uiso   1.00
C1188  C     0.47769   0.33192   0.97196   0.00000  Uiso   1.00
C1190  C     0.48017   0.36036   0.97354   0.00000  Uiso   1.00
C1230  C     0.45827   0.37694   0.98008   0.00000  Uiso   1.00
C1233  C     0.45171   0.31895   0.97698   0.00000  Uiso   1.00
C1239  C     0.46362   0.40371   0.98879   0.00000  Uiso   1.00
N242   N     0.49470   0.00077   0.69056   0.00000  Uiso   1.00
N244   N     0.48213   0.21447   0.63209   0.00000  Uiso   1.00
N245   N     0.46703   0.24042   0.59595   0.00000  Uiso   1.00
N246   N     0.47161   0.19525   0.58899   0.00000  Uiso   1.00
C1384  C     0.47881   0.19304   0.61543   0.00000  Uiso   1.00
C1412  C     0.48811   0.14492   0.60939   0.00000  Uiso   1.00
H876   H     0.47610   0.14741   0.59114   0.00000  Uiso   1.00
H885   H     0.47913   0.25594   0.63328   0.00000  Uiso   1.00
H890   H     0.49833   0.05230   0.70190   0.00000  Uiso   1.00
H892   H     0.47932   0.00514   0.73557   0.00000  Uiso   1.00
H900   H     0.45994   0.22225   0.55915   0.00000  Uiso   1.00
C1434  C     0.49103   0.16833   0.62424   0.00000  Uiso   1.00
C1449  C     0.47476   0.23815   0.62213   0.00000  Uiso   1.00
C1451  C     0.46668   0.21905   0.57882   0.00000  Uiso   1.00
C1599  C     0.48797   0.13230   0.99916   0.00000  Uiso   1.00
H1042  H     0.49567   0.19763   0.70566   0.00000  Uiso   1.00
H1066  H     0.48821   0.15508   0.99785   0.00000  Uiso   1.00
N28    N     0.52095   0.34280   0.90700   0.00000  Uiso   1.00
N29    N     0.54647   0.36694   0.93900   0.00000  Uiso   1.00
N30    N     0.55146   0.31961   0.93467   0.00000  Uiso   1.00
C99    C     0.52799   0.36581   0.91938   0.00000  Uiso   1.00
C100   C     0.53364   0.32037   0.91385   0.00000  Uiso   1.00
C112   C     0.54225   0.27322   0.90259   0.00000  Uiso   1.00
C113   C     0.53196   0.24822   0.89116   0.00000  Uiso   1.00
C114   C     0.50062   0.00841   0.92276   0.00000  Uiso   1.00
C160   C     0.50196   0.43693   0.92311   0.00000  Uiso   1.00
C161   C     0.51824   0.41382   0.92720   0.00000  Uiso   1.00
C174   C     0.50116   0.27283   0.86370   0.00000  Uiso   1.00
C193   C     0.51007   0.29781   0.87649   0.00000  Uiso   1.00
H73    H     0.50623   0.20081   0.89769   0.00000  Uiso   1.00
H75    H     0.54282   0.22837   0.89723   0.00000  Uiso   1.00
H88    H     0.50986   0.45690   0.93085   0.00000  Uiso   1.00
H89    H     0.53631   0.41693   0.93875   0.00000  Uiso   1.00
H102   H     0.55910   0.27124   0.91777   0.00000  Uiso   1.00
H124   H     0.50378   0.02554   0.93431   0.00000  Uiso   1.00
H145   H     0.50034   0.06081   0.91296   0.00000  Uiso   1.00
H148   H     0.57163   0.34304   0.96351   0.00000  Uiso   1.00
C208   C     0.51327   0.38874   0.91405   0.00000  Uiso   1.00
C218   C     0.51306   0.24703   0.87016   0.00000  Uiso   1.00
C225   C     0.50161   0.22317   0.86052   0.00000  Uiso   1.00
C226   C     0.52904   0.29713   0.89717   0.00000  Uiso   1.00
C233   C     0.55769   0.34353   0.94633   0.00000  Uiso   1.00
N52    N     0.54541   0.26148   0.59781   0.00000  Uiso   1.00
N53    N     0.56677   0.24880   0.55809   0.00000  Uiso   1.00
N54    N     0.54425   0.29105   0.56125   0.00000  Uiso   1.00
N67    N     0.66295   0.03098   0.67858   0.00000  Uiso   1.00
N68    N     0.64163   0.07367   0.68774   0.00000  Uiso   1.00
N69    N     0.63948   0.05477   0.64486   0.00000  Uiso   1.00
C242   C     0.55992   0.24315   0.58304   0.00000  Uiso   1.00
C244   C     0.55961   0.27393   0.54793   0.00000  Uiso   1.00
C253   C     0.63396   0.07487   0.66218   0.00000  Uiso   1.00
C263   C     0.56094   0.30561   0.51084   0.00000  Uiso   1.00
C273   C     0.57602   0.25943   0.50374   0.00000  Uiso   1.00
C274   C     0.59845   0.17847   0.59343   0.00000  Uiso   1.00
C275   C     0.58631   0.20037   0.58108   0.00000  Uiso   1.00
C276   C     0.56777   0.21500   0.62412   0.00000  Uiso   1.00
C277   C     0.58079   0.19218   0.63684   0.00000  Uiso   1.00
C278   C     0.60301   0.14229   0.65934   0.00000  Uiso   1.00
C279   C     0.61456   0.11895   0.66956   0.00000  Uiso   1.00
C280   C     0.60871   0.09922   0.62512   0.00000  Uiso   1.00
C281   C     0.59911   0.12391   0.61444   0.00000  Uiso   1.00
H150   H     0.55793   0.23023   0.63660   0.00000  Uiso   1.00
H151   H     0.57535   0.19027   0.65861   0.00000  Uiso   1.00
H152   H     0.60461   0.15992   0.67237   0.00000  Uiso   1.00
H153   H     0.62119   0.11882   0.69039   0.00000  Uiso   1.00
H155   H     0.60934   0.08137   0.61337   0.00000  Uiso   1.00
H157   H     0.59490   0.12572   0.59253   0.00000  Uiso   1.00
H186   H     0.57902   0.23953   0.51131   0.00000  Uiso   1.00
H196   H     0.55131   0.31952   0.52421   0.00000  Uiso   1.00
H207   H     0.61037   0.16342   0.58231   0.00000  Uiso   1.00
H209   H     0.65905   0.02131   0.63658   0.00000  Uiso   1.00
H210   H     0.52760   0.29837   0.59874   0.00000  Uiso   1.00
H211   H     0.66084   0.05096   0.71639   0.00000  Uiso   1.00
H213   H     0.58945   0.20448   0.56013   0.00000  Uiso   1.00
C313   C     0.59351   0.17225   0.62076   0.00000  Uiso   1.00
C321   C     0.56433   0.27929   0.52082   0.00000  Uiso   1.00
C329   C     0.59920   0.14640   0.63149   0.00000  Uiso   1.00
C333   C     0.57067   0.21885   0.59597   0.00000  Uiso   1.00
C335   C     0.61772   0.09760   0.65187   0.00000  Uiso   1.00
C340   C     0.65582   0.05157   0.69500   0.00000  Uiso   1.00
C342   C     0.53911   0.28447   0.58703   0.00000  Uiso   1.00
C345   C     0.65425   0.03423   0.65363   0.00000  Uiso   1.00
N112   N     0.56399   0.39050   0.56356   0.00000  Uiso   1.00
N113   N     0.53233   0.38138   0.53082   0.00000  Uiso   1.00
N114   N     0.57442   0.40267   0.51890   0.00000  Uiso   1.00
C479   C     0.55012   0.39158   0.51263   0.00000  Uiso   1.00
H341   H     0.60076   0.40650   0.55251   0.00000  Uiso   1.00
H343   H     0.52810   0.37135   0.57192   0.00000  Uiso   1.00
C600   C     0.58094   0.40269   0.54446   0.00000  Uiso   1.00
C601   C     0.54062   0.38033   0.55685   0.00000  Uiso   1.00
H378   H     0.53405   0.16356   0.56839   0.00000  Uiso   1.00
H379   H     0.51164   0.20778   0.55860   0.00000  Uiso   1.00
H382   H     0.55666   0.12941   0.57432   0.00000  Uiso   1.00
H383   H     0.56373   0.08221   0.58237   0.00000  Uiso   1.00
H384   H     0.53726   0.06154   0.50284   0.00000  Uiso   1.00
H408   H     0.60633   0.01025   0.65682   0.00000  Uiso   1.00
H409   H     0.58343   0.02778   0.61666   0.00000  Uiso   1.00
N115   N     0.50364   0.24487   0.53030   0.00000  Uiso   1.00
N124   N     0.55263   0.02430   0.52691   0.00000  Uiso   1.00
N125   N     0.56603   0.03020   0.57063   0.00000  Uiso   1.00
C610   C     0.51075   0.22910   0.50899   0.00000  Uiso   1.00
C614   C     0.55570   0.04105   0.54807   0.00000  Uiso   1.00
C615   C     0.57082   0.00395   0.57223   0.00000  Uiso   1.00
C623   C     0.51913   0.19337   0.54092   0.00000  Uiso   1.00
C629   C     0.58832   0.00592   0.61796   0.00000  Uiso   1.00
C649   C     0.53966   0.10571   0.51335   0.00000  Uiso   1.00
C661   C     0.53213   0.16898   0.54609   0.00000  Uiso   1.00
C667   C     0.54065   0.07720   0.51870   0.00000  Uiso   1.00
C669   C     0.55607   0.08815   0.56345   0.00000  Uiso   1.00
C676   C     0.55350   0.11533   0.55764   0.00000  Uiso   1.00
C684   C     0.54011   0.15168   0.52601   0.00000  Uiso   1.00
C686   C     0.54691   0.12520   0.53237   0.00000  Uiso   1.00
C700   C     0.51726   0.20146   0.51376   0.00000  Uiso   1.00
C701   C     0.55059   0.06909   0.54403   0.00000  Uiso   1.00
C728   C     0.57391   0.47152   0.98004   0.00000  Uiso   1.00
C729   C     0.58142   0.44696   0.99384   0.00000  Uiso   1.00
H477   H     0.55854   0.46965   0.96636   0.00000  Uiso   1.00
H481   H     0.56838   0.42815   0.99123   0.00000  Uiso   1.00
C781   C     0.58800   0.49569   0.98345   0.00000  Uiso   1.00
C1045  C     0.66974   0.34914   0.54121   0.00000  Uiso   1.00
C1046  C     0.66609   0.33284   0.56405   0.00000  Uiso   1.00
C1047  C     0.63896   0.32532   0.57151   0.00000  Uiso   1.00
C1048  C     0.61680   0.33351   0.55571   0.00000  Uiso   1.00
C1049  C     0.62134   0.34698   0.53118   0.00000  Uiso   1.00
H624   H     0.69177   0.35338   0.53538   0.00000  Uiso   1.00
H626   H     0.68327   0.32792   0.57708   0.00000  Uiso   1.00
H628   H     0.63597   0.31574   0.59110   0.00000  Uiso   1.00
H629   H     0.59725   0.33247   0.56455   0.00000  Uiso   1.00
H631   H     0.60317   0.35297   0.51919   0.00000  Uiso   1.00
C1107  C     0.64819   0.35355   0.52327   0.00000  Uiso   1.00
H721   H     0.53351   0.17979   0.98452   0.00000  Uiso   1.00
H723   H     0.52512   0.27677   0.96403   0.00000  Uiso   1.00
H724   H     0.57045   0.25556   0.96137   0.00000  Uiso   1.00
H725   H     0.58708   0.17103   0.97045   0.00000  Uiso   1.00
H755   H     0.64264   0.28993   0.52169   0.00000  Uiso   1.00
H756   H     0.65888   0.21026   0.50370   0.00000  Uiso   1.00
N206   N     0.64996   0.24907   0.51603   0.00000  Uiso   1.00
C1164  C     0.64944   0.27447   0.50740   0.00000  Uiso   1.00
C1171  C     0.52689   0.25513   0.96929   0.00000  Uiso   1.00
C1184  C     0.55247   0.24306   0.96806   0.00000  Uiso   1.00
C1192  C     0.53293   0.20069   0.97827   0.00000  Uiso   1.00
C1193  C     0.50670   0.21170   0.98026   0.00000  Uiso   1.00
C1217  C     0.59300   0.18413   0.98710   0.00000  Uiso   1.00
C1228  C     0.50206   0.24011   0.97422   0.00000  Uiso   1.00
C1231  C     0.55565   0.21635   0.97749   0.00000  Uiso   1.00
C1240  C     0.58140   0.21029   0.98963   0.00000  Uiso   1.00
N238   N     0.55294   0.18136   0.81756   0.00000  Uiso   1.00
N239   N     0.57891   0.16817   0.85357   0.00000  Uiso   1.00
N240   N     0.57481   0.21309   0.84383   0.00000  Uiso   1.00
C1267  C     0.56389   0.16119   0.83177   0.00000  Uiso   1.00
C1268  C     0.58378   0.19321   0.86006   0.00000  Uiso   1.00
C1299  C     0.55876   0.08720   0.83977   0.00000  Uiso   1.00
C1300  C     0.56579   0.11384   0.84432   0.00000  Uiso   1.00
C1301  C     0.54065   0.12698   0.80492   0.00000  Uiso   1.00
C1302  C     0.53114   0.10064   0.80226   0.00000  Uiso   1.00
C1303  C     0.53247   0.03358   0.83562   0.00000  Uiso   1.00
C1304  C     0.52942   0.00559   0.83086   0.00000  Uiso   1.00
C1305  C     0.53162   0.01470   0.78186   0.00000  Uiso   1.00
C1306  C     0.53079   0.04328   0.78742   0.00000  Uiso   1.00
C1336  C     0.67716   0.18572   0.94648   0.00000  Uiso   1.00
C1337  C     0.70025   0.18992   0.96415   0.00000  Uiso   1.00
C1338  C     0.70101   0.21227   0.98173   0.00000  Uiso   1.00
C1339  C     0.67945   0.23014   0.98291   0.00000  Uiso   1.00
C1340  C     0.65629   0.22525   0.96604   0.00000  Uiso   1.00
C1341  C     0.62480   0.22342   0.91200   0.00000  Uiso   1.00
C1342  C     0.60750   0.22115   0.89027   0.00000  Uiso   1.00
C1343  C     0.60866   0.17229   0.89912   0.00000  Uiso   1.00
C1344  C     0.62818   0.17624   0.91824   0.00000  Uiso   1.00
H790   H     0.56713   0.07174   0.85174   0.00000  Uiso   1.00
H792   H     0.57743   0.12022   0.86335   0.00000  Uiso   1.00
H794   H     0.53197   0.14067   0.79124   0.00000  Uiso   1.00
H796   H     0.51878   0.09555   0.78583   0.00000  Uiso   1.00
H798   H     0.53311   0.03972   0.85692   0.00000  Uiso   1.00
H800   H     0.53388   0.00693   0.76169   0.00000  Uiso   1.00
H802   H     0.53139   0.05627   0.76950   0.00000  Uiso   1.00
H803   H     0.55223   0.22489   0.81105   0.00000  Uiso   1.00
H851   H     0.68067   0.16975   0.93329   0.00000  Uiso   1.00
H853   H     0.71597   0.17517   0.96562   0.00000  Uiso   1.00
H854   H     0.71895   0.21602   0.99478   0.00000  Uiso   1.00
H855   H     0.67922   0.24719   0.99867   0.00000  Uiso   1.00
H857   H     0.63952   0.23901   0.96753   0.00000  Uiso   1.00
H859   H     0.62773   0.24346   0.91878   0.00000  Uiso   1.00
H861   H     0.60077   0.23884   0.87858   0.00000  Uiso   1.00
H862   H     0.59894   0.15380   0.89328   0.00000  Uiso   1.00
H864   H     0.63699   0.15871   0.92853   0.00000  Uiso   1.00
C1363  C     0.55780   0.13359   0.82692   0.00000  Uiso   1.00
C1366  C     0.53382   0.05222   0.81451   0.00000  Uiso   1.00
C1367  C     0.65563   0.20378   0.94725   0.00000  Uiso   1.00
C1372  C     0.60068   0.19504   0.88314   0.00000  Uiso   1.00
C1374  C     0.54122   0.08025   0.81872   0.00000  Uiso   1.00
C1376  C     0.63759   0.20228   0.92531   0.00000  Uiso   1.00
C1378  C     0.55977   0.20714   0.82316   0.00000  Uiso   1.00
C1381  C     0.50598   0.00956   0.66803   0.00000  Uiso   1.00
C1389  C     0.50747   0.05667   0.68340   0.00000  Uiso   1.00
C1390  C     0.51235   0.08532   0.67855   0.00000  Uiso   1.00
C1391  C     0.50215   0.12004   0.61801   0.00000  Uiso   1.00
C1400  C     0.51810   0.14339   0.65849   0.00000  Uiso   1.00
C1401  C     0.53046   0.07343   0.63408   0.00000  Uiso   1.00
C1402  C     0.50602   0.16719   0.64851   0.00000  Uiso   1.00
C1411  C     0.52119   0.04658   0.63791   0.00000  Uiso   1.00
H868   H     0.50421   0.09875   0.69387   0.00000  Uiso   1.00
H879   H     0.51052   0.18610   0.65979   0.00000  Uiso   1.00
H881   H     0.52271   0.03260   0.62145   0.00000  Uiso   1.00
H902   H     0.50042   0.10194   0.60465   0.00000  Uiso   1.00
H904   H     0.53152   0.14379   0.67795   0.00000  Uiso   1.00
H906   H     0.53738   0.07892   0.61438   0.00000  Uiso   1.00
C1435  C     0.52257   0.09379   0.65324   0.00000  Uiso   1.00
C1442  C     0.51572   0.12001   0.64322   0.00000  Uiso   1.00
C1446  C     0.51151   0.03732   0.66362   0.00000  Uiso   1.00
N265   N     0.71855   0.37117   0.99246   0.00000  Uiso   1.00
C1480  C     0.72015   0.42439   0.98192   0.00000  Uiso   1.00
C1481  C     0.72362   0.45273   0.97891   0.00000  Uiso   1.00
H918   H     0.75867   0.49961   0.99114   0.00000  Uiso   1.00
H943   H     0.72542   0.41047   0.96488   0.00000  Uiso   1.00
H946   H     0.72945   0.46187   0.95925   0.00000  Uiso   1.00
H957   H     0.72234   0.33190   0.98008   0.00000  Uiso   1.00
C1520  C     0.71641   0.49967   0.99378   0.00000  Uiso   1.00
C1533  C     0.71286   0.47119   0.99736   0.00000  Uiso   1.00
C1540  C     0.72116   0.34483   0.99884   0.00000  Uiso   1.00
N274   N     0.60454   0.39241   0.91285   0.00000  Uiso   1.00
N275   N     0.58802   0.38218   0.87150   0.00000  Uiso   1.00
N276   N     0.60800   0.34896   0.89578   0.00000  Uiso   1.00
N280   N     0.60453   0.02637   0.92160   0.00000  Uiso   1.00
N281   N     0.60777   0.06776   0.90018   0.00000  Uiso   1.00
N282   N     0.63690   0.03300   0.88731   0.00000  Uiso   1.00
N283   N     0.65790   0.18155   0.67173   0.00000  Uiso   1.00
N284   N     0.65078   0.18685   0.71738   0.00000  Uiso   1.00
N285   N     0.67538   0.15123   0.70197   0.00000  Uiso   1.00
N286   N     0.52720   0.17179   0.71930   0.00000  Uiso   1.00
N287   N     0.56188   0.19346   0.74099   0.00000  Uiso   1.00
N288   N     0.52565   0.21747   0.72650   0.00000  Uiso   1.00
C1544  C     0.59118   0.39962   0.89099   0.00000  Uiso   1.00
C1546  C     0.59691   0.35682   0.87283   0.00000  Uiso   1.00
C1548  C     0.61218   0.36711   0.91585   0.00000  Uiso   1.00
C1552  C     0.59525   0.05096   0.91713   0.00000  Uiso   1.00
C1553  C     0.62929   0.05916   0.88556   0.00000  Uiso   1.00
C1554  C     0.62471   0.01675   0.90531   0.00000  Uiso   1.00
C1555  C     0.64688   0.19489   0.69243   0.00000  Uiso   1.00
C1556  C     0.66385   0.16389   0.72169   0.00000  Uiso   1.00
C1557  C     0.54947   0.17028   0.73338   0.00000  Uiso   1.00
C1558  C     0.54897   0.21688   0.73780   0.00000  Uiso   1.00
C1568  C     0.57347   0.32998   0.80567   0.00000  Uiso   1.00
C1569  C     0.57695   0.34756   0.82740   0.00000  Uiso   1.00
C1570  C     0.59593   0.31079   0.85369   0.00000  Uiso   1.00
C1571  C     0.59044   0.29242   0.83254   0.00000  Uiso   1.00
C1572  C     0.55450   0.28721   0.76608   0.00000  Uiso   1.00
C1573  C     0.54718   0.26567   0.74973   0.00000  Uiso   1.00
C1574  C     0.58381   0.23801   0.76724   0.00000  Uiso   1.00
C1575  C     0.58984   0.25990   0.78421   0.00000  Uiso   1.00
C1586  C     0.65939   0.15364   0.79831   0.00000  Uiso   1.00
C1587  C     0.65529   0.16490   0.77168   0.00000  Uiso   1.00
C1588  C     0.68056   0.12786   0.75179   0.00000  Uiso   1.00
C1589  C     0.68066   0.11560   0.77754   0.00000  Uiso   1.00
C1590  C     0.67389   0.08572   0.82931   0.00000  Uiso   1.00
C1591  C     0.66468   0.06921   0.84988   0.00000  Uiso   1.00
C1592  C     0.63184   0.10173   0.86288   0.00000  Uiso   1.00
C1593  C     0.64090   0.11963   0.84234   0.00000  Uiso   1.00
C1600  C     0.50180   0.11758   0.97869   0.00000  Uiso   1.00
C1601  C     0.53841   0.05122   0.96711   0.00000  Uiso   1.00
C1602  C     0.56003   0.04415   0.95004   0.00000  Uiso   1.00
C1603  C     0.56223   0.08843   0.92819   0.00000  Uiso   1.00
C1604  C     0.53927   0.09434   0.94379   0.00000  Uiso   1.00
C1609  C     0.62949   0.36916   0.98951   0.00000  Uiso   1.00
C1610  C     0.62583   0.37816   0.96248   0.00000  Uiso   1.00
C1611  C     0.62687   0.33087   0.94728   0.00000  Uiso   1.00
C1612  C     0.63061   0.32209   0.97389   0.00000  Uiso   1.00
C1613  C     0.61122   0.07003   0.78073   0.00000  Uiso   1.00
C1614  C     0.60945   0.04474   0.79483   0.00000  Uiso   1.00
C1615  C     0.60160   0.02035   0.75464   0.00000  Uiso   1.00
C1616  C     0.59895   0.04551   0.73987   0.00000  Uiso   1.00
C1617  C     0.60314   0.12048   0.75414   0.00000  Uiso   1.00
C1618  C     0.58805   0.14486   0.75153   0.00000  Uiso   1.00
C1619  C     0.55236   0.12066   0.72899   0.00000  Uiso   1.00
C1620  C     0.56899   0.09669   0.72874   0.00000  Uiso   1.00
C1631  C     0.58661   0.44589   0.91034   0.00000  Uiso   1.00
C1642  C     0.55203   0.46347   0.86823   0.00000  Uiso   1.00
C1643  C     0.60462   0.31965   0.68407   0.00000  Uiso   1.00
C1644  C     0.59172   0.34398   0.68031   0.00000  Uiso   1.00
C1645  C     0.57652   0.34792   0.65676   0.00000  Uiso   1.00
C1646  C     0.57626   0.32900   0.63665   0.00000  Uiso   1.00
C1647  C     0.58913   0.30320   0.64062   0.00000  Uiso   1.00
C1648  C     0.61767   0.26554   0.70206   0.00000  Uiso   1.00
C1649  C     0.62443   0.23840   0.70804   0.00000  Uiso   1.00
C1650  C     0.63396   0.22998   0.66019   0.00000  Uiso   1.00
C1651  C     0.62381   0.25539   0.65376   0.00000  Uiso   1.00
C1652  C     0.56224   0.43529   0.86883   0.00000  Uiso   1.00
C1653  C     0.57779   0.47233   0.90948   0.00000  Uiso   1.00
H968   H     0.56778   0.02413   0.95378   0.00000  Uiso   1.00
H969   H     0.56684   0.33813   0.78683   0.00000  Uiso   1.00
H970   H     0.57110   0.10266   0.91325   0.00000  Uiso   1.00
H972   H     0.53134   0.11327   0.93643   0.00000  Uiso   1.00
H974   H     0.54261   0.30489   0.76605   0.00000  Uiso   1.00
H981   H     0.62030   0.39871   0.95790   0.00000  Uiso   1.00
H983   H     0.62601   0.31367   0.93199   0.00000  Uiso   1.00
H985   H     0.63516   0.30227   0.98032   0.00000  Uiso   1.00
H986   H     0.61070   0.08785   0.79437   0.00000  Uiso   1.00
H987   H     0.60681   0.04670   0.81700   0.00000  Uiso   1.00
H988   H     0.53109   0.26787   0.73543   0.00000  Uiso   1.00
H989   H     0.59740   0.00094   0.74416   0.00000  Uiso   1.00
H990   H     0.59238   0.04398   0.71918   0.00000  Uiso   1.00
H991   H     0.57019   0.37037   0.82449   0.00000  Uiso   1.00
H992   H     0.62129   0.12037   0.76703   0.00000  Uiso   1.00
H993   H     0.64783   0.16414   0.81327   0.00000  Uiso   1.00
H994   H     0.59772   0.16358   0.75837   0.00000  Uiso   1.00
H995   H     0.59402   0.22033   0.76933   0.00000  Uiso   1.00
H996   H     0.53407   0.11898   0.71778   0.00000  Uiso   1.00
H997   H     0.64638   0.18480   0.76825   0.00000  Uiso   1.00
H998   H     0.55965   0.07834   0.72118   0.00000  Uiso   1.00
H1001  H     0.69003   0.11598   0.73435   0.00000  Uiso   1.00
H1003  H     0.60802   0.26007   0.79638   0.00000  Uiso   1.00
H1005  H     0.68537   0.09512   0.77723   0.00000  Uiso   1.00
H1009  H     0.68928   0.07939   0.81512   0.00000  Uiso   1.00
H1016  H     0.67432   0.04922   0.85532   0.00000  Uiso   1.00
H1020  H     0.61540   0.10984   0.87520   0.00000  Uiso   1.00
H1022  H     0.60541   0.30277   0.87124   0.00000  Uiso   1.00
H1024  H     0.62938   0.13864   0.84218   0.00000  Uiso   1.00
H1027  H     0.68234   0.14764   0.66144   0.00000  Uiso   1.00
H1038  H     0.59876   0.43913   0.92865   0.00000  Uiso   1.00
H1041  H     0.61467   0.31722   0.70309   0.00000  Uiso   1.00
H1043  H     0.59329   0.35835   0.69697   0.00000  Uiso   1.00
H1044  H     0.56495   0.36652   0.65371   0.00000  Uiso   1.00
H1046  H     0.56726   0.33167   0.61764   0.00000  Uiso   1.00
H1047  H     0.50732   0.49895   0.89442   0.00000  Uiso   1.00
H1048  H     0.58619   0.28737   0.62574   0.00000  Uiso   1.00
H1049  H     0.60992   0.27713   0.71877   0.00000  Uiso   1.00
H1051  H     0.62565   0.23283   0.72940   0.00000  Uiso   1.00
H1052  H     0.64300   0.21627   0.64621   0.00000  Uiso   1.00
H1054  H     0.62399   0.26293   0.63232   0.00000  Uiso   1.00
H1055  H     0.53861   0.46934   0.85222   0.00000  Uiso   1.00
H1058  H     0.59425   0.27067   0.83603   0.00000  Uiso   1.00
H1059  H     0.55716   0.42176   0.85285   0.00000  Uiso   1.00
H1060  H     0.58393   0.48560   0.92507   0.00000  Uiso   1.00
H1069  H     0.51219   0.12895   0.96181   0.00000  Uiso   1.00
H1073  H     0.53001   0.03627   0.98122   0.00000  Uiso   1.00
C1664  C     0.59360   0.09655   0.74180   0.00000  Uiso   1.00
C1666  C     0.57966   0.42647   0.88975   0.00000  Uiso   1.00
C1667  C     0.66600   0.15313   0.74769   0.00000  Uiso   1.00
C1669  C     0.60404   0.02027   0.78277   0.00000  Uiso   1.00
C1670  C     0.59112   0.33917   0.85219   0.00000  Uiso   1.00
C1671  C     0.52770   0.07805   0.96328   0.00000  Uiso   1.00
C1672  C     0.64225   0.07577   0.86603   0.00000  Uiso   1.00
C1673  C     0.60263   0.29870   0.66594   0.00000  Uiso   1.00
C1676  C     0.62454   0.35907   0.94097   0.00000  Uiso   1.00
C1677  C     0.63281   0.21954   0.68718   0.00000  Uiso   1.00
C1678  C     0.55917   0.23908   0.75158   0.00000  Uiso   1.00
C1679  C     0.56130   0.48182   0.88807   0.00000  Uiso   1.00
C1680  C     0.60412   0.07138   0.75276   0.00000  Uiso   1.00
C1681  C     0.61546   0.27395   0.67411   0.00000  Uiso   1.00
C1685  C     0.66193   0.11153   0.82460   0.00000  Uiso   1.00
C1688  C     0.66898   0.12725   0.80087   0.00000  Uiso   1.00
C1693  C     0.57424   0.28401   0.78553   0.00000  Uiso   1.00
C1694  C     0.63102   0.34124   0.99584   0.00000  Uiso   1.00
C1695  C     0.56261   0.14574   0.73829   0.00000  Uiso   1.00
C1701  C     0.57227   0.06115   0.93054   0.00000  Uiso   1.00
C1702  C     0.50590   0.08940   0.97965   0.00000  Uiso   1.00
C1704  C     0.57978   0.30207   0.80773   0.00000  Uiso   1.00
C1708  C     0.51438   0.19527   0.71676   0.00000  Uiso   1.00
C1716  C     0.67253   0.15944   0.67739   0.00000  Uiso   1.00
N40    N     0.33356   0.79738   0.56422   0.00000  Uiso   1.00
N41    N     0.32219   0.84140   0.57636   0.00000  Uiso   1.00
N42    N     0.35421   0.83355   0.54181   0.00000  Uiso   1.00
C107   C     0.34148   0.84978   0.55943   0.00000  Uiso   1.00
C135   C     0.48644   0.98190   0.88544   0.00000  Uiso   1.00
C147   C     0.37541   0.91460   0.54358   0.00000  Uiso   1.00
C148   C     0.36788   0.88733   0.54109   0.00000  Uiso   1.00
C149   C     0.33528   0.89398   0.57741   0.00000  Uiso   1.00
C150   C     0.34088   0.92189   0.57872   0.00000  Uiso   1.00
C151   C     0.38089   0.97337   0.54375   0.00000  Uiso   1.00
C152   C     0.39258   0.99879   0.54643   0.00000  Uiso   1.00
C154   C     0.36530   0.97418   0.58951   0.00000  Uiso   1.00
C156   C     0.44051   0.50173   0.91086   0.00000  Uiso   1.00
C157   C     0.43026   0.50328   0.88385   0.00000  Uiso   1.00
H66    H     0.39143   0.92163   0.53061   0.00000  Uiso   1.00
H68    H     0.37831   0.87302   0.52773   0.00000  Uiso   1.00
H69    H     0.31887   0.88474   0.58850   0.00000  Uiso   1.00
H70    H     0.32853   0.93360   0.59266   0.00000  Uiso   1.00
H72    H     0.38045   0.96354   0.52414   0.00000  Uiso   1.00
H78    H     0.35687   0.96426   0.60884   0.00000  Uiso   1.00
H81    H     0.43658   0.51738   0.92591   0.00000  Uiso   1.00
H83    H     0.41614   0.52031   0.88036   0.00000  Uiso   1.00
H108   H     0.35725   0.79098   0.53282   0.00000  Uiso   1.00
H110   H     0.30304   0.80646   0.59334   0.00000  Uiso   1.00
H121   H     0.47988   0.98164   0.86506   0.00000  Uiso   1.00
C197   C     0.34763   0.87744   0.55856   0.00000  Uiso   1.00
C209   C     0.36885   0.96013   0.56477   0.00000  Uiso   1.00
C216   C     0.36042   0.93293   0.56097   0.00000  Uiso   1.00
C236   C     0.34988   0.80753   0.54526   0.00000  Uiso   1.00
C238   C     0.31923   0.81477   0.57940   0.00000  Uiso   1.00
H275   H     0.35872   0.53184   0.93509   0.00000  Uiso   1.00
H279   H     0.35934   0.56198   0.97468   0.00000  Uiso   1.00
C413   C     0.35983   0.51282   0.94683   0.00000  Uiso   1.00
C420   C     0.37574   0.55398   0.98679   0.00000  Uiso   1.00
C444   C     0.37306   0.50725   0.97238   0.00000  Uiso   1.00
C454   C     0.38768   0.52777   0.98570   0.00000  Uiso   1.00
N104   N     0.44933   0.98593   0.58941   0.00000  Uiso   1.00
C475   C     0.44311   0.98458   0.61531   0.00000  Uiso   1.00
C491   C     0.46194   0.99541   0.50623   0.00000  Uiso   1.00
C492   C     0.45779   0.99111   0.53357   0.00000  Uiso   1.00
C530   C     0.41306   0.93027   0.65797   0.00000  Uiso   1.00
C531   C     0.42433   0.95585   0.65254   0.00000  Uiso   1.00
C532   C     0.42406   0.94120   0.60542   0.00000  Uiso   1.00
C533   C     0.41026   0.91764   0.61074   0.00000  Uiso   1.00
C534   C     0.39885   0.87509   0.67273   0.00000  Uiso   1.00
C535   C     0.38792   0.84895   0.68017   0.00000  Uiso   1.00
C536   C     0.37656   0.83120   0.66129   0.00000  Uiso   1.00
C537   C     0.37843   0.83908   0.63329   0.00000  Uiso   1.00
C538   C     0.39007   0.86484   0.62532   0.00000  Uiso   1.00
H319   H     0.40683   0.92903   0.67844   0.00000  Uiso   1.00
H320   H     0.42949   0.96931   0.66943   0.00000  Uiso   1.00
H321   H     0.42851   0.94619   0.58391   0.00000  Uiso   1.00
H323   H     0.40750   0.90665   0.59242   0.00000  Uiso   1.00
H325   H     0.40495   0.88752   0.69079   0.00000  Uiso   1.00
H327   H     0.38444   0.84218   0.70058   0.00000  Uiso   1.00
H328   H     0.36959   0.81159   0.66898   0.00000  Uiso   1.00
H330   H     0.36577   0.82922   0.61811   0.00000  Uiso   1.00
H332   H     0.38995   0.86991   0.60408   0.00000  Uiso   1.00
H362   H     0.44825   0.97176   0.54084   0.00000  Uiso   1.00
C576   C     0.40093   0.88268   0.64519   0.00000  Uiso   1.00
C590   C     0.43099   0.96021   0.62459   0.00000  Uiso   1.00
C598   C     0.40640   0.91024   0.63843   0.00000  Uiso   1.00
N137   N     0.49372   0.63276   0.99285   0.00000  Uiso   1.00
N138   N     0.49833   0.58772   0.98163   0.00000  Uiso   1.00
H445   H     0.46144   0.60548   0.98097   0.00000  Uiso   1.00
C786   C     0.48318   0.60941   0.98646   0.00000  Uiso   1.00
C923   C     0.47115   0.92678   0.99855   0.00000  Uiso   1.00
C924   C     0.46578   0.95386   0.98938   0.00000  Uiso   1.00
H575   H     0.48920   0.91601   0.99272   0.00000  Uiso   1.00
H577   H     0.47895   0.96395   0.97439   0.00000  Uiso   1.00
H579   H     0.45211   0.98917   0.94604   0.00000  Uiso   1.00
C958   C     0.44307   0.96665   0.99972   0.00000  Uiso   1.00
C969   C     0.43760   0.99273   0.98977   0.00000  Uiso   1.00
C1084  C     0.45990   0.83255   0.60414   0.00000  Uiso   1.00
C1085  C     0.47511   0.84134   0.62744   0.00000  Uiso   1.00
C1089  C     0.46533   0.78144   0.54750   0.00000  Uiso   1.00
C1090  C     0.45493   0.77656   0.52118   0.00000  Uiso   1.00
C1091  C     0.42217   0.81346   0.52700   0.00000  Uiso   1.00
C1092  C     0.43248   0.81787   0.55287   0.00000  Uiso   1.00
H639   H     0.41362   0.67542   0.99992   0.00000  Uiso   1.00
H690   H     0.43947   0.83790   0.60117   0.00000  Uiso   1.00
H692   H     0.46460   0.85553   0.64064   0.00000  Uiso   1.00
H698   H     0.48188   0.76953   0.55687   0.00000  Uiso   1.00
H700   H     0.46227   0.76014   0.51012   0.00000  Uiso   1.00
H702   H     0.40336   0.82321   0.51990   0.00000  Uiso   1.00
H704   H     0.42536   0.83469   0.56473   0.00000  Uiso   1.00
C1116  C     0.47134   0.81325   0.58504   0.00000  Uiso   1.00
C1120  C     0.43258   0.79170   0.51114   0.00000  Uiso   1.00
C1125  C     0.45533   0.80335   0.56226   0.00000  Uiso   1.00
H827   H     0.49080   0.85104   0.51080   0.00000  Uiso   1.00
N241   N     0.48945   0.95799   0.67304   0.00000  Uiso   1.00
N247   N     0.42800   0.94055   0.89985   0.00000  Uiso   1.00
N248   N     0.44797   0.89845   0.89244   0.00000  Uiso   1.00
N249   N     0.43160   0.91052   0.93430   0.00000  Uiso   1.00
C1382  C     0.48590   0.97578   0.69352   0.00000  Uiso   1.00
C1385  C     0.44034   0.92234   0.88418   0.00000  Uiso   1.00
C1386  C     0.44228   0.89280   0.91684   0.00000  Uiso   1.00
C1392  C     0.46658   0.91505   0.81219   0.00000  Uiso   1.00
C1393  C     0.45792   0.90874   0.83833   0.00000  Uiso   1.00
C1394  C     0.43706   0.95227   0.84545   0.00000  Uiso   1.00
C1395  C     0.44216   0.95722   0.81768   0.00000  Uiso   1.00
C1396  C     0.46203   0.92987   0.74973   0.00000  Uiso   1.00
C1397  C     0.46839   0.94031   0.72360   0.00000  Uiso   1.00
C1398  C     0.47557   0.98473   0.74145   0.00000  Uiso   1.00
C1399  C     0.47270   0.97497   0.76809   0.00000  Uiso   1.00
C1403  C     0.48323   0.91288   0.60245   0.00000  Uiso   1.00
C1404  C     0.48841   0.92476   0.62755   0.00000  Uiso   1.00
C1407  C     0.45604   0.89509   0.55147   0.00000  Uiso   1.00
C1408  C     0.44386   0.88669   0.52797   0.00000  Uiso   1.00
C1409  C     0.47503   0.91662   0.50384   0.00000  Uiso   1.00
C1410  C     0.48963   0.92053   0.52686   0.00000  Uiso   1.00
C1413  C     0.47431   0.82458   0.92189   0.00000  Uiso   1.00
C1414  C     0.46218   0.84836   0.91093   0.00000  Uiso   1.00
C1415  C     0.44701   0.86020   0.95633   0.00000  Uiso   1.00
C1416  C     0.45604   0.83553   0.96737   0.00000  Uiso   1.00
C1417  C     0.49947   0.77738   0.94256   0.00000  Uiso   1.00
C1419  C     0.49312   0.73673   0.96999   0.00000  Uiso   1.00
C1420  C     0.47334   0.75002   0.98548   0.00000  Uiso   1.00
C1421  C     0.46834   0.77709   0.97961   0.00000  Uiso   1.00
H865   H     0.47224   0.89439   0.60249   0.00000  Uiso   1.00
H866   H     0.47739   0.90007   0.80042   0.00000  Uiso   1.00
H867   H     0.47983   0.91576   0.64532   0.00000  Uiso   1.00
H870   H     0.46168   0.88745   0.84663   0.00000  Uiso   1.00
H872   H     0.44731   0.88815   0.57081   0.00000  Uiso   1.00
H873   H     0.42537   0.87346   0.53122   0.00000  Uiso   1.00
H874   H     0.42850   0.96849   0.85836   0.00000  Uiso   1.00
H880   H     0.43324   0.97583   0.81030   0.00000  Uiso   1.00
H882   H     0.48469   0.81100   0.90857   0.00000  Uiso   1.00
H883   H     0.45421   0.90881   0.75203   0.00000  Uiso   1.00
H884   H     0.46676   0.85053   0.88884   0.00000  Uiso   1.00
H886   H     0.43796   0.87532   0.97014   0.00000  Uiso   1.00
H887   H     0.46859   0.92664   0.70396   0.00000  Uiso   1.00
H888   H     0.45461   0.83159   0.98946   0.00000  Uiso   1.00
H893   H     0.49561   0.71500   0.97351   0.00000  Uiso   1.00
H895   H     0.47715   0.98960   0.78417   0.00000  Uiso   1.00
H896   H     0.45406   0.78700   0.99360   0.00000  Uiso   1.00
H898   H     0.41718   0.94892   0.94090   0.00000  Uiso   1.00
C1431  C     0.47958   0.79121   0.95733   0.00000  Uiso   1.00
C1432  C     0.46353   0.94736   0.77260   0.00000  Uiso   1.00
C1436  C     0.46983   0.81723   0.94923   0.00000  Uiso   1.00
C1437  C     0.47635   0.96781   0.71878   0.00000  Uiso   1.00
C1438  C     0.45721   0.94004   0.80009   0.00000  Uiso   1.00
C1439  C     0.48935   0.92363   0.57646   0.00000  Uiso   1.00
C1441  C     0.47842   0.91350   0.55152   0.00000  Uiso   1.00
C1443  C     0.45187   0.89965   0.50278   0.00000  Uiso   1.00
C1445  C     0.44926   0.86707   0.92786   0.00000  Uiso   1.00
C1447  C     0.44504   0.92792   0.85622   0.00000  Uiso   1.00
C1452  C     0.42436   0.93401   0.92591   0.00000  Uiso   1.00
N292   N     0.26043   0.67748   0.99700   0.00000  Uiso   1.00
N293   N     0.29136   0.64313   0.98378   0.00000  Uiso   1.00
N294   N     0.30243   0.68725   0.97802   0.00000  Uiso   1.00
C1547  C     0.49641   0.61741   0.92156   0.00000  Uiso   1.00
C1560  C     0.30837   0.66099   0.97576   0.00000  Uiso   1.00
C1621  C     0.43632   0.65440   0.94913   0.00000  Uiso   1.00
C1622  C     0.46280   0.64963   0.93943   0.00000  Uiso   1.00
C1623  C     0.44675   0.60713   0.91849   0.00000  Uiso   1.00
C1624  C     0.42095   0.61272   0.92777   0.00000  Uiso   1.00
C1625  C     0.37880   0.66691   0.95365   0.00000  Uiso   1.00
C1626  C     0.35256   0.67298   0.96009   0.00000  Uiso   1.00
C1627  C     0.34190   0.62600   0.96253   0.00000  Uiso   1.00
C1628  C     0.36900   0.61963   0.95691   0.00000  Uiso   1.00
H984   H     0.49543   0.54440   0.91029   0.00000  Uiso   1.00
H999   H     0.43402   0.67258   0.96143   0.00000  Uiso   1.00
H1000  H     0.47804   0.66305   0.94472   0.00000  Uiso   1.00
H1002  H     0.45217   0.58764   0.90976   0.00000  Uiso   1.00
H1004  H     0.40591   0.59926   0.91844   0.00000  Uiso   1.00
H1006  H     0.39123   0.68418   0.95087   0.00000  Uiso   1.00
H1007  H     0.34734   0.69412   0.96027   0.00000  Uiso   1.00
H1008  H     0.32808   0.61014   0.96595   0.00000  Uiso   1.00
H1010  H     0.37092   0.59892   0.95382   0.00000  Uiso   1.00
H1015  H     0.27305   0.71571   0.98958   0.00000  Uiso   1.00
C1675  C     0.46850   0.62460   0.92613   0.00000  Uiso   1.00
C1683  C     0.41519   0.63567   0.94341   0.00000  Uiso   1.00
C1691  C     0.33373   0.65270   0.96545   0.00000  Uiso   1.00
C1699  C     0.38875   0.64050   0.95269   0.00000  Uiso   1.00
C1710  C     0.26744   0.65095   0.99474   0.00000  Uiso   1.00
C1712  C     0.27909   0.69546   0.98925   0.00000  Uiso   1.00
N25    N     0.55050   0.94488   0.95024   0.00000  Uiso   1.00
N26    N     0.56872   0.90313   0.94349   0.00000  Uiso   1.00
N27    N     0.53383   0.91806   0.91409   0.00000  Uiso   1.00
N31    N     0.62386   0.72914   0.82362   0.00000  Uiso   1.00
N32    N     0.61664   0.68331   0.81556   0.00000  Uiso   1.00
N33    N     0.58095   0.70990   0.82568   0.00000  Uiso   1.00
C94    C     0.56622   0.92547   0.95900   0.00000  Uiso   1.00
C96    C     0.55127   0.89895   0.92140   0.00000  Uiso   1.00
C98    C     0.53538   0.94080   0.92815   0.00000  Uiso   1.00
C101   C     0.59745   0.73043   0.83016   0.00000  Uiso   1.00
C116   C     0.51575   0.98546   0.93402   0.00000  Uiso   1.00
C117   C     0.59575   0.80275   0.85010   0.00000  Uiso   1.00
C118   C     0.60511   0.77737   0.84212   0.00000  Uiso   1.00
C119   C     0.56110   0.75749   0.84966   0.00000  Uiso   1.00
C120   C     0.55131   0.78256   0.85964   0.00000  Uiso   1.00
C121   C     0.53916   0.84463   0.86990   0.00000  Uiso   1.00
C122   C     0.53652   0.86795   0.88530   0.00000  Uiso   1.00
C123   C     0.57145   0.85296   0.91589   0.00000  Uiso   1.00
C124   C     0.57597   0.83147   0.89863   0.00000  Uiso   1.00
C125   C     0.50261   0.96062   0.89506   0.00000  Uiso   1.00
C132   C     0.60314   0.91042   0.99139   0.00000  Uiso   1.00
C133   C     0.57974   0.95162   0.99912   0.00000  Uiso   1.00
H59    H     0.58435   0.85497   0.93114   0.00000  Uiso   1.00
H62    H     0.59246   0.81538   0.90344   0.00000  Uiso   1.00
H65    H     0.52852   0.98993   0.95135   0.00000  Uiso   1.00
H67    H     0.65482   0.69974   0.81774   0.00000  Uiso   1.00
H71    H     0.57641   0.66854   0.81497   0.00000  Uiso   1.00
H77    H     0.60896   0.82133   0.85107   0.00000  Uiso   1.00
H85    H     0.62675   0.77613   0.83604   0.00000  Uiso   1.00
H97    H     0.54866   0.73861   0.84667   0.00000  Uiso   1.00
H99    H     0.60873   0.89346   0.97970   0.00000  Uiso   1.00
H104   H     0.56533   0.96748   0.99168   0.00000  Uiso   1.00
H106   H     0.53028   0.78417   0.86683   0.00000  Uiso   1.00
H115   H     0.50423   0.94292   0.88236   0.00000  Uiso   1.00
H128   H     0.52749   0.83966   0.85223   0.00000  Uiso   1.00
H136   H     0.52063   0.88175   0.87921   0.00000  Uiso   1.00
C194   C     0.56914   0.80563   0.86026   0.00000  Uiso   1.00
C199   C     0.58272   0.92859   0.98330   0.00000  Uiso   1.00
C203   C     0.51799   0.96155   0.91972   0.00000  Uiso   1.00
C206   C     0.58777   0.75423   0.84108   0.00000  Uiso   1.00
C223   C     0.55254   0.87272   0.90855   0.00000  Uiso   1.00
C228   C     0.55994   0.82749   0.87555   0.00000  Uiso   1.00
C232   C     0.59098   0.68523   0.81841   0.00000  Uiso   1.00
C239   C     0.63284   0.70502   0.81795   0.00000  Uiso   1.00
H395   H     0.56153   0.94445   0.52784   0.00000  Uiso   1.00
H403   H     0.63854   0.92115   0.63987   0.00000  Uiso   1.00
H404   H     0.65627   0.89677   0.67730   0.00000  Uiso   1.00
H405   H     0.63679   0.90546   0.72284   0.00000  Uiso   1.00
H406   H     0.61048   0.94947   0.73170   0.00000  Uiso   1.00
H407   H     0.60671   0.98088   0.69424   0.00000  Uiso   1.00
H410   H     0.57838   0.94900   0.58377   0.00000  Uiso   1.00
H411   H     0.60078   0.92884   0.62157   0.00000  Uiso   1.00
N126   N     0.56740   0.98724   0.55168   0.00000  Uiso   1.00
C616   C     0.55835   0.99776   0.52943   0.00000  Uiso   1.00
C619   C     0.63652   0.93076   0.65899   0.00000  Uiso   1.00
C620   C     0.64382   0.91435   0.68098   0.00000  Uiso   1.00
C622   C     0.63481   0.92134   0.70723   0.00000  Uiso   1.00
C624   C     0.61961   0.94453   0.71101   0.00000  Uiso   1.00
C626   C     0.61804   0.96310   0.69029   0.00000  Uiso   1.00
C628   C     0.60032   0.99579   0.64096   0.00000  Uiso   1.00
C631   C     0.58614   0.96220   0.59905   0.00000  Uiso   1.00
C632   C     0.59782   0.95013   0.62270   0.00000  Uiso   1.00
C678   C     0.55649   0.95397   0.50797   0.00000  Uiso   1.00
C683   C     0.62358   0.95604   0.66340   0.00000  Uiso   1.00
C695   C     0.60833   0.96789   0.64229   0.00000  Uiso   1.00
C696   C     0.58208   0.99055   0.59600   0.00000  Uiso   1.00
C699   C     0.55224   0.98228   0.50524   0.00000  Uiso   1.00
N136   N     0.53555   0.61620   0.99373   0.00000  Uiso   1.00
C711   C     0.52503   0.59174   0.98553   0.00000  Uiso   1.00
C724   C     0.58603   0.54769   0.98716   0.00000  Uiso   1.00
C725   C     0.56960   0.57027   0.99049   0.00000  Uiso   1.00
C726   C     0.53235   0.54566   0.96902   0.00000  Uiso   1.00
C727   C     0.54872   0.52302   0.96636   0.00000  Uiso   1.00
H460   H     0.60662   0.54954   0.99248   0.00000  Uiso   1.00
H464   H     0.57847   0.58755   0.99938   0.00000  Uiso   1.00
H469   H     0.51144   0.54418   0.96206   0.00000  Uiso   1.00
H472   H     0.53992   0.50564   0.95806   0.00000  Uiso   1.00
C768   C     0.54230   0.56977   0.98087   0.00000  Uiso   1.00
C780   C     0.57646   0.52220   0.97675   0.00000  Uiso   1.00
C784   C     0.51880   0.63560   0.99962   0.00000  Uiso   1.00
C882   C     0.55095   0.84259   0.98485   0.00000  Uiso   1.00
C883   C     0.52723   0.85327   0.99428   0.00000  Uiso   1.00
C937   C     0.60853   0.83241   0.98684   0.00000  Uiso   1.00
C938   C     0.63563   0.83089   0.99224   0.00000  Uiso   1.00
H555   H     0.56559   0.85556   0.97500   0.00000  Uiso   1.00
H560   H     0.51997   0.87317   0.98924   0.00000  Uiso   1.00
H602   H     0.60278   0.85233   0.98144   0.00000  Uiso   1.00
H605   H     0.64782   0.84934   0.98985   0.00000  Uiso   1.00
C943   C     0.58905   0.81181   0.99189   0.00000  Uiso   1.00
C957   C     0.56064   0.81768   0.99313   0.00000  Uiso   1.00
N199   N     0.92844   0.68911   0.92982   0.00000  Uiso   1.00
N200   N     0.88755   0.66650   0.92816   0.00000  Uiso   1.00
N201   N     0.88786   0.71100   0.91747   0.00000  Uiso   1.00
C1000  C     0.91383   0.66672   0.93417   0.00000  Uiso   1.00
C1068  C     0.91677   0.60387   0.97659   0.00000  Uiso   1.00
C1069  C     0.90990   0.62337   0.95694   0.00000  Uiso   1.00
C1070  C     0.95165   0.64747   0.96053   0.00000  Uiso   1.00
C1071  C     0.96083   0.62776   0.97996   0.00000  Uiso   1.00
C1086  C     0.50337   0.83634   0.62842   0.00000  Uiso   1.00
C1087  C     0.51548   0.82118   0.60774   0.00000  Uiso   1.00
C1088  C     0.50035   0.80883   0.58647   0.00000  Uiso   1.00
H664   H     0.90133   0.58748   0.98348   0.00000  Uiso   1.00
H666   H     0.88934   0.62414   0.95099   0.00000  Uiso   1.00
H667   H     0.96363   0.66498   0.95605   0.00000  Uiso   1.00
H669   H     0.98140   0.62882   0.98889   0.00000  Uiso   1.00
H684   H     0.92079   0.72866   0.91274   0.00000  Uiso   1.00
H687   H     0.85215   0.69150   0.91842   0.00000  Uiso   1.00
H693   H     0.51794   0.84380   0.64488   0.00000  Uiso   1.00
H695   H     0.53808   0.81916   0.60814   0.00000  Uiso   1.00
H697   H     0.51236   0.79758   0.57244   0.00000  Uiso   1.00
C1108  C     0.92655   0.64517   0.94867   0.00000  Uiso   1.00
C1114  C     0.94346   0.60601   0.98866   0.00000  Uiso   1.00
C1145  C     0.87453   0.68871   0.92179   0.00000  Uiso   1.00
C1146  C     0.91486   0.71027   0.92170   0.00000  Uiso   1.00
N226   N     0.61788   0.86523   0.58074   0.00000  Uiso   1.00
N227   N     0.57254   0.86860   0.56754   0.00000  Uiso   1.00
N228   N     0.60466   0.85544   0.53622   0.00000  Uiso   1.00
N232   N     0.53529   0.95214   0.82048   0.00000  Uiso   1.00
N233   N     0.54286   0.91621   0.79287   0.00000  Uiso   1.00
N234   N     0.54046   0.95882   0.77414   0.00000  Uiso   1.00
C1256  C     0.59207   0.86778   0.58696   0.00000  Uiso   1.00
C1258  C     0.57898   0.86027   0.54338   0.00000  Uiso   1.00
C1262  C     0.54233   0.93257   0.77190   0.00000  Uiso   1.00
C1263  C     0.53647   0.96825   0.79868   0.00000  Uiso   1.00
C1269  C     0.51226   0.85154   0.50773   0.00000  Uiso   1.00
C1276  C     0.55473   0.92346   0.69715   0.00000  Uiso   1.00
C1277  C     0.54754   0.93597   0.72321   0.00000  Uiso   1.00
C1278  C     0.55264   0.89175   0.74380   0.00000  Uiso   1.00
C1279  C     0.56140   0.88023   0.71812   0.00000  Uiso   1.00
C1280  C     0.54800   0.89142   0.64596   0.00000  Uiso   1.00
C1281  C     0.55750   0.88359   0.62002   0.00000  Uiso   1.00
C1282  C     0.60145   0.87101   0.63736   0.00000  Uiso   1.00
C1283  C     0.59050   0.87427   0.66326   0.00000  Uiso   1.00
C1308  C     0.53131   0.85716   0.52796   0.00000  Uiso   1.00
H787   H     0.56896   0.85951   0.71613   0.00000  Uiso   1.00
H791   H     0.52438   0.86551   0.54712   0.00000  Uiso   1.00
H793   H     0.52776   0.89974   0.64977   0.00000  Uiso   1.00
H797   H     0.54292   0.88631   0.60320   0.00000  Uiso   1.00
H799   H     0.52758   0.99159   0.84715   0.00000  Uiso   1.00
H801   H     0.62197   0.86430   0.63266   0.00000  Uiso   1.00
H804   H     0.64405   0.85496   0.54906   0.00000  Uiso   1.00
H805   H     0.60320   0.87303   0.68137   0.00000  Uiso   1.00
H823   H     0.54161   0.91212   0.83394   0.00000  Uiso   1.00
H839   H     0.55404   0.93689   0.67963   0.00000  Uiso   1.00
H847   H     0.54361   0.95777   0.72423   0.00000  Uiso   1.00
H858   H     0.55231   0.87892   0.76180   0.00000  Uiso   1.00
C1345  C     0.55893   0.85535   0.52303   0.00000  Uiso   1.00
C1350  C     0.53174   0.99590   0.80403   0.00000  Uiso   1.00
C1357  C     0.56048   0.89640   0.69452   0.00000  Uiso   1.00
C1359  C     0.54696   0.92010   0.74650   0.00000  Uiso   1.00
C1360  C     0.56510   0.88681   0.66807   0.00000  Uiso   1.00
C1365  C     0.58441   0.87589   0.61431   0.00000  Uiso   1.00
C1377  C     0.53894   0.92602   0.81689   0.00000  Uiso   1.00
C1379  C     0.62366   0.85886   0.55541   0.00000  Uiso   1.00
N243   N     0.50911   0.99211   0.64704   0.00000  Uiso   1.00
C1383  C     0.50130   0.96657   0.65035   0.00000  Uiso   1.00
C1405  C     0.51237   0.95836   0.60134   0.00000  Uiso   1.00
C1406  C     0.50589   0.94774   0.57664   0.00000  Uiso   1.00
C1418  C     0.50466   0.75010   0.94913   0.00000  Uiso   1.00
H869   H     0.51984   0.97958   0.60062   0.00000  Uiso   1.00
H871   H     0.51206   0.95777   0.55793   0.00000  Uiso   1.00
H877   H     0.50706   0.93299   0.52504   0.00000  Uiso   1.00
H889   H     0.50804   0.78819   0.92651   0.00000  Uiso   1.00
H891   H     0.51852   0.73987   0.93540   0.00000  Uiso   1.00
C1433  C     0.50115   0.94994   0.62592   0.00000  Uiso   1.00
N253   N     0.74660   0.59699   0.98375   0.00000  Uiso   1.00
N254   N     0.72641   0.63936   0.98866   0.00000  Uiso   1.00
N255   N     0.70155   0.59986   0.99349   0.00000  Uiso   1.00
C1453  C     0.70314   0.62619   0.99287   0.00000  Uiso   1.00
C1455  C     0.74904   0.62392   0.98440   0.00000  Uiso   1.00
C1457  C     0.72333   0.58557   0.98929   0.00000  Uiso   1.00
C1474  C     0.74164   0.51335   0.99033   0.00000  Uiso   1.00
C1475  C     0.74346   0.54130   0.98709   0.00000  Uiso   1.00
C1476  C     0.69417   0.54494   0.99462   0.00000  Uiso   1.00
C1477  C     0.69363   0.51639   0.99606   0.00000  Uiso   1.00
C1482  C     0.80172   0.67482   0.99810   0.00000  Uiso   1.00
C1483  C     0.77640   0.66294   0.99168   0.00000  Uiso   1.00
C1510  C     0.79926   0.62139   0.98337   0.00000  Uiso   1.00
C1511  C     0.82442   0.63256   0.98929   0.00000  Uiso   1.00
H922   H     0.76250   0.55282   0.98504   0.00000  Uiso   1.00
H926   H     0.67437   0.55643   0.99975   0.00000  Uiso   1.00
H930   H     0.67517   0.50412   0.99537   0.00000  Uiso   1.00
H944   H     0.70053   0.67999   0.99552   0.00000  Uiso   1.00
H953   H     0.75724   0.67358   0.99439   0.00000  Uiso   1.00
H958   H     0.79654   0.60010   0.97847   0.00000  Uiso   1.00
H962   H     0.84292   0.62082   0.99070   0.00000  Uiso   1.00
H966   H     0.87898   0.65410   0.98659   0.00000  Uiso   1.00
C1521  C     0.77530   0.63632   0.98399   0.00000  Uiso   1.00
C1524  C     0.67919   0.64210   0.99891   0.00000  Uiso   1.00
C1528  C     0.71929   0.55723   0.98901   0.00000  Uiso   1.00
C1531  C     0.82527   0.65919   0.99997   0.00000  Uiso   1.00
N271   N     0.51520   0.63641   0.92329   0.00000  Uiso   1.00
N272   N     0.54639   0.60581   0.91236   0.00000  Uiso   1.00
N273   N     0.50131   0.59268   0.91029   0.00000  Uiso   1.00
N277   N     0.70561   0.82483   0.95221   0.00000  Uiso   1.00
N278   N     0.69579   0.77943   0.95391   0.00000  Uiso   1.00
N279   N     0.66531   0.80832   0.93273   0.00000  Uiso   1.00
N295   N     0.59855   0.97248   0.78739   0.00000  Uiso   1.00
N296   N     0.60429   0.99761   0.82665   0.00000  Uiso   1.00
N297   N     0.59849   0.95121   0.82933   0.00000  Uiso   1.00
C1543  C     0.52761   0.58715   0.90713   0.00000  Uiso   1.00
C1545  C     0.54086   0.63046   0.92068   0.00000  Uiso   1.00
C1549  C     0.71201   0.79954   0.95854   0.00000  Uiso   1.00
C1550  C     0.67284   0.78341   0.93937   0.00000  Uiso   1.00
C1551  C     0.68243   0.82780   0.93919   0.00000  Uiso   1.00
C1561  C     0.60172   0.99637   0.79918   0.00000  Uiso   1.00
C1564  C     0.61050   0.74371   0.92206   0.00000  Uiso   1.00
C1565  C     0.52296   0.51330   0.89440   0.00000  Uiso   1.00
C1566  C     0.62848   0.76520   0.92507   0.00000  Uiso   1.00
C1567  C     0.51530   0.54047   0.89956   0.00000  Uiso   1.00
C1576  C     0.68234   0.90407   0.93431   0.00000  Uiso   1.00
C1577  C     0.68994   0.87746   0.94351   0.00000  Uiso   1.00
C1578  C     0.64905   0.85879   0.91986   0.00000  Uiso   1.00
C1579  C     0.64218   0.88562   0.91272   0.00000  Uiso   1.00
C1580  C     0.63027   0.94624   0.93263   0.00000  Uiso   1.00
C1581  C     0.62022   0.97328   0.92920   0.00000  Uiso   1.00
C1582  C     0.65201   0.97843   0.89215   0.00000  Uiso   1.00
C1583  C     0.66026   0.95114   0.89534   0.00000  Uiso   1.00
C1584  C     0.66255   0.73467   0.94386   0.00000  Uiso   1.00
C1585  C     0.56284   0.55345   0.89824   0.00000  Uiso   1.00
C1594  C     0.64378   0.71356   0.93744   0.00000  Uiso   1.00
C1595  C     0.56897   0.52834   0.88814   0.00000  Uiso   1.00
C1596  C     0.60497   0.66933   0.91673   0.00000  Uiso   1.00
C1629  C     0.58733   0.64704   0.91800   0.00000  Uiso   1.00
C1630  C     0.55173   0.67961   0.92917   0.00000  Uiso   1.00
C1632  C     0.56986   0.70169   0.92822   0.00000  Uiso   1.00
C1634  C     0.75111   0.81657   0.98285   0.00000  Uiso   1.00
C1635  C     0.74582   0.76886   0.98155   0.00000  Uiso   1.00
H967   H     0.62292   0.93423   0.94946   0.00000  Uiso   1.00
H971   H     0.60407   0.97887   0.94171   0.00000  Uiso   1.00
H976   H     0.66358   0.99108   0.87742   0.00000  Uiso   1.00
H979   H     0.67846   0.94558   0.88468   0.00000  Uiso   1.00
H982   H     0.62255   0.78596   0.91938   0.00000  Uiso   1.00
H1011  H     0.59113   0.74592   0.91061   0.00000  Uiso   1.00
H1013  H     0.59676   0.62700   0.91488   0.00000  Uiso   1.00
H1018  H     0.53045   0.68303   0.93239   0.00000  Uiso   1.00
H1019  H     0.69448   0.92202   0.93888   0.00000  Uiso   1.00
H1023  H     0.74400   0.83665   0.97991   0.00000  Uiso   1.00
H1025  H     0.73700   0.75141   0.97435   0.00000  Uiso   1.00
H1029  H     0.68218   0.73096   0.95246   0.00000  Uiso   1.00
H1031  H     0.57763   0.56811   0.89921   0.00000  Uiso   1.00
H1033  H     0.70887   0.87202   0.95417   0.00000  Uiso   1.00
H1036  H     0.59556   0.93117   0.79403   0.00000  Uiso   1.00
H1037  H     0.56410   0.72095   0.93671   0.00000  Uiso   1.00
H1039  H     0.60447   0.97656   0.86301   0.00000  Uiso   1.00
H1040  H     0.65158   0.69451   0.94284   0.00000  Uiso   1.00
H1045  H     0.59059   0.52274   0.88603   0.00000  Uiso   1.00
H1050  H     0.62478   0.66552   0.91275   0.00000  Uiso   1.00
H1053  H     0.63805   0.84136   0.91109   0.00000  Uiso   1.00
H1064  H     0.62365   0.88799   0.90206   0.00000  Uiso   1.00
C1663  C     0.59756   0.69633   0.92335   0.00000  Uiso   1.00
C1665  C     0.55941   0.65247   0.92297   0.00000  Uiso   1.00
C1668  C     0.61722   0.71643   0.92776   0.00000  Uiso   1.00
C1674  C     0.55008   0.50735   0.88940   0.00000  Uiso   1.00
C1682  C     0.73686   0.79498   0.97340   0.00000  Uiso   1.00
C1684  C     0.63219   0.98969   0.90941   0.00000  Uiso   1.00
C1696  C     0.65431   0.76176   0.93709   0.00000  Uiso   1.00
C1698  C     0.66030   0.90856   0.91831   0.00000  Uiso   1.00
C1700  C     0.67447   0.85493   0.93348   0.00000  Uiso   1.00
C1705  C     0.53612   0.56043   0.90236   0.00000  Uiso   1.00
C1706  C     0.64912   0.93438   0.91481   0.00000  Uiso   1.00
C1711  C     0.60323   0.97508   0.84075   0.00000  Uiso   1.00
C1714  C     0.59614   0.95099   0.80307   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
N1     C11     1.342   .     S
N1     C1      1.353   .     S
N2     C1      1.327   .     S
N2     C18     1.370   .     S
N3     C11     1.349   .     S
N3     C18     1.346   .     S
N4     C2      1.325   .     S
N4     C17     1.370   .     S
N5     C10     1.365   .     S
N5     C17     1.343   .     S
N6     C2      1.298   .     S
N6     C10     1.347   .     S
N7     C14     1.369   .     S
N7     C12     1.369   .     S
N8     C12     1.348   .     S
N8     C13     1.347   .     S
N9     C13     1.326   .     S
N9     C14     1.357   .     S
N10    C21     1.402   .     S
N10    C3      1.324   .     S
N11    C19     1.337   .     S
N11    C3      1.341   .     S
N12    C19     1.334   .     S
N12    C21     1.359   .     S
N16    C16     1.357   .     S
N16    C6      1.343   .     S
N17    C6      1.369   1_655 S
N17    C7      1.367   1_655 S
N18    C16     1.351   .     S
N18    C7      1.343   .     S
N21    C20     1.353   .     S
N21    C9      1.360   1_545 S
C1     H9      1.151   .     S
C2     H8      1.078   .     S
C3     H20     1.180   .     S
H1     C69     1.086   .     S
H2     C43     1.088   .     S
H3     C31     1.085   .     S
H4     C59     1.083   .     S
H5     C26     1.090   .     S
H6     C39     1.093   .     S
H7     C48     1.111   .     S
H10    C23     1.138   .     S
H11    C29     1.153   .     S
H12    C33     1.095   .     S
H13    C37     1.123   .     S
H14    C42     1.082   .     S
H15    C44     1.122   .     S
H16    C50     1.145   .     S
H17    C54     1.118   .     S
H18    C57     1.020   .     S
H19    C63     1.062   .     S
H21    C60     1.116   .     S
H22    C65     1.056   1_554 S
H25    C64     1.111   1_554 S
H26    C67     1.111   .     S
H27    C22     1.070   .     S
H28    C24     1.085   .     S
H29    C25     1.082   .     S
H30    C27     1.076   .     S
H31    C28     1.103   .     S
H32    C30     1.075   .     S
H33    C32     1.094   .     S
H34    C34     1.053   .     S
H35    C35     1.097   .     S
H36    C36     1.100   .     S
H37    C38     1.109   .     S
H39    C40     1.078   .     S
H40    C41     1.099   .     S
H42    C47     1.142   .     S
H43    C49     1.101   .     S
H44    C51     1.070   .     S
H45    C52     1.093   .     S
H46    C53     1.144   .     S
H47    C55     1.135   .     S
H48    C56     1.089   .     S
H49    C58     1.081   .     S
H50    C45     1.131   .     S
H52    C7      1.107   1_655 S
H54    C62     1.074   .     S
H55    C61     1.047   .     S
H56    C8      1.101   .     S
H57    C66     1.066   .     S
C10    C74     1.401   .     S
C11    C89     1.410   .     S
C12    C83     1.457   .     S
C13    C87     1.493   .     S
C14    C92     1.447   .     S
C16    C82     1.394   .     S
C17    C84     1.422   .     S
C18    C85     1.471   .     S
C19    C70     1.456   .     S
C20    C72     1.404   .     S
C20    N20     1.382   1_545 S
C21    C90     1.429   .     S
C22    C87     1.427   .     S
C22    C67     1.442   .     S
C23    C60     1.460   .     S
C23    C81     1.426   .     S
C24    C87     1.415   .     S
C24    C25     1.473   .     S
C25    C75     1.469   .     S
C26    C59     1.410   .     S
C26    C85     1.427   .     S
C27    C28     1.402   .     S
C27    C76     1.466   .     S
C28    C82     1.474   .     S
C29    C93     1.436   .     S
C29    C33     1.441   .     S
C30    C32     1.439   .     S
C30    C82     1.483   .     S
C31    C86     1.431   .     S
C31    C43     1.450   .     S
C32    C76     1.416   .     S
C33    C92     1.444   .     S
C34    C35     1.419   .     S
C34    C80     1.365   .     S
C35    C70     1.434   .     S
C36    C38     1.402   .     S
C36    C70     1.441   .     S
C37    C42     1.437   .     S
C37    C92     1.415   .     S
C38    C80     1.400   .     S
C39    C48     1.423   .     S
C39    C85     1.429   .     S
C40    C45     1.470   .     S
C40    C89     1.437   .     S
C41    C63     1.417   .     S
C41    C79     1.407   .     S
C42    C93     1.393   .     S
C43    C74     1.427   .     S
C44    C50     1.447   .     S
C44    C78     1.432   .     S
C45    C81     1.440   .     S
C47    C49     1.457   .     S
C47    C91     1.456   .     S
C48    C71     1.420   .     S
C49    C84     1.416   .     S
C50    C90     1.475   .     S
C51    C84     1.408   .     S
C51    C52     1.427   .     S
C52    C91     1.416   .     S
C53    C55     1.414   .     S
C53    C77     1.405   .     S
C54    C90     1.431   .     S
C54    C57     1.423   .     S
C55    C72     1.392   .     S
C56    C72     1.391   .     S
C56    C58     1.451   .     S
C57    C78     1.411   .     S
C58    C77     1.469   .     S
C59    C71     1.461   .     S
C60    C89     1.427   .     S
C61    C86     1.392   .     S
C61    C69     1.430   .     S
C62    C66     1.442   .     S
C62    C79     1.390   .     S
C63    C83     1.427   .     S
C66    C83     1.420   .     S
C67    C75     1.434   .     S
C69    C74     1.387   .     S
C71    C86     1.418   .     S
C75    C88     1.446   .     S
C76    C80     1.418   .     S
C77    C91     1.440   .     S
C78    C93     1.386   .     S
C79    C81     1.466   .     S
C88    C64     1.427   1_554 S
C88    C65     1.444   1_554 S
N46    C240    1.409   .     S
N46    C110    1.325   .     S
N47    C110    1.342   .     S
N47    C237    1.311   .     S
N48    C240    1.345   .     S
N48    C237    1.305   .     S
C110   C222    1.392   .     S
C185   H132    1.127   .     S
C185   C219    1.425   .     S
C185   C186    1.421   .     S
C189   H139    1.084   .     S
C189   C227    1.471   .     S
C189   C190    1.456   .     S
C190   H140    1.132   .     S
C190   C222    1.435   .     S
C191   H141    1.134   .     S
C191   C222    1.396   .     S
C191   C192    1.420   .     S
C192   H143    1.103   .     S
C192   C227    1.424   .     S
H144   C240    1.076   .     S
H147   C237    1.087   .     S
C219   C227    1.437   .     S
C219   C188    1.424   .     S
N71    C346    1.295   .     S
N71    C364    1.324   .     S
C346   H223    1.108   .     S
C346   N70     1.297   1_545 S
H242   C426    1.098   .     S
H262   C390    1.045   .     S
H263   C393    1.111   .     S
H264   C394    1.100   .     S
H278   C418    1.122   1_554 S
C363   C447    1.413   .     S
C363   N73     1.325   .     S
C363   N74     1.362   .     S
C364   C443    1.407   .     S
C364   N72     1.329   1_545 S
C390   C393    1.396   .     S
C390   C443    1.436   .     S
C391   C431    1.409   .     S
C391   C459    1.417   .     S
C391   H232    1.067   1_545 S
C393   C459    1.421   .     S
C394   C426    1.459   .     S
C394   C456    1.388   .     S
C397   C429    1.432   .     S
C397   C456    1.449   .     S
C397   H283    1.079   1_545 S
C426   C447    1.432   .     S
C429   C447    1.478   .     S
C429   H286    1.113   1_545 S
C431   C443    1.444   .     S
C431   H241    1.104   1_545 S
C456   C459    1.452   .     S
N91    C465    1.309   .     S
N91    C467    1.362   .     S
N92    C463    1.301   .     S
N92    C465    1.361   .     S
N93    C467    1.383   .     S
N93    C463    1.360   .     S
N106   C476    1.374   .     S
N106   C477    1.329   .     S
N107   C476    1.343   .     S
N107   C602    1.371   .     S
N108   C602    1.330   .     S
N108   C477    1.361   .     S
N110   C603    1.325   .     S
N110   C478    1.335   1_545 S
C463   C593    1.442   .     S
C465   C592    1.494   .     S
C467   C584    1.423   .     S
C476   C586    1.435   .     S
C477   C585    1.430   .     S
C487   C488    1.387   .     S
C487   C563    1.401   .     S
C487   H304    1.122   .     S
C488   C592    1.440   .     S
C488   H316    1.085   .     S
C489   C490    1.479   .     S
C489   C592    1.443   .     S
C489   H329    1.106   .     S
C490   H340    1.119   .     S
C490   C563    1.451   .     S
C497   C574    1.421   .     S
C497   H302    1.099   .     S
C497   C498    1.409   .     S
C498   H306    1.113   .     S
C498   C581    1.417   .     S
C499   C500    1.435   .     S
C499   C569    1.388   .     S
C499   H312    1.068   .     S
C500   H318    1.124   .     S
C500   C584    1.414   .     S
C501   C502    1.454   .     S
C501   C584    1.432   .     S
C501   H322    1.088   .     S
C502   H326    1.087   .     S
C502   C569    1.390   .     S
C503   C566    1.449   .     S
C503   C504    1.422   .     S
C503   H331    1.070   .     S
C504   C585    1.428   .     S
C504   H333    1.115   .     S
C505   C506    1.416   .     S
C505   C585    1.451   .     S
C505   H342    1.115   .     S
C506   H346    1.089   .     S
C506   C566    1.443   .     S
C507   C587    1.423   .     S
C507   C508    1.385   .     S
C507   H351    1.115   .     S
C508   C578    1.441   .     S
C508   H355    1.128   .     S
C509   H360    1.074   .     S
C509   C510    1.427   .     S
C509   C578    1.423   .     S
C510   H364    1.092   .     S
C510   C587    1.404   .     S
C540   H335    1.152   .     S
C540   C541    1.442   .     S
C540   C580    1.453   .     S
C541   C593    1.417   .     S
C541   H339    1.092   .     S
C555   H365    1.129   .     S
C555   C586    1.448   .     S
C555   C554    1.482   .     S
C556   C586    1.415   .     S
C556   H366    1.072   .     S
C556   C557    1.437   .     S
C557   H367    1.108   .     S
C557   C591    1.498   .     S
H290   C515    1.116   .     S
H338   C603    1.138   .     S
C563   C570    1.390   .     S
C566   C587    1.455   .     S
C569   C581    1.403   .     S
C570   C494    1.446   .     S
C570   C491    1.429   1_545 S
C574   C478    1.461   1_545 S
C574   C496    1.438   1_545 S
C578   C470    1.401   .     S
C581   C495    1.413   1_545 S
C593   C543    1.448   .     S
C602   H334    1.098   1_554 S
C603   N109    1.345   1_545 S
H386   C621    1.114   .     S
H387   C625    1.140   .     S
H388   C630    1.121   .     S
H389   C633    1.123   .     S
H390   C638    1.163   .     S
H392   C647    1.112   .     S
H393   C651    1.107   .     S
H412   C634    1.077   .     S
H413   C636    1.077   .     S
H414   C637    1.111   .     S
H415   C639    1.102   .     S
H416   C641    1.124   .     S
H417   C643    1.072   .     S
H418   C645    1.084   .     S
H419   C646    1.160   .     S
H420   C648    1.103   .     S
H421   C650    1.119   .     S
H422   C652    1.118   .     S
H423   C653    1.117   .     S
H424   C654    1.073   .     S
H425   C655    1.145   .     S
H426   C656    1.076   .     S
H429   C660    1.099   .     S
N117   C609    1.372   .     S
N117   C617    1.326   .     S
N121   C613    1.353   .     S
N121   C611    1.321   .     S
N122   C611    1.331   .     S
N122   C612    1.346   .     S
N123   C613    1.396   .     S
N123   C612    1.336   .     S
C609   C688    1.443   .     S
C609   N120    1.354   .     S
C611   C685    1.446   .     S
C612   C698    1.354   .     S
C613   C693    1.422   .     S
C621   C625    1.427   .     S
C621   C682    1.434   .     S
C625   C698    1.393   .     S
C630   C698    1.445   .     S
C630   C633    1.437   .     S
C633   C682    1.427   .     S
C634   C680    1.433   .     S
C634   C636    1.432   .     S
C636   C637    1.447   .     S
C637   C639    1.422   .     S
C638   C687    1.404   .     S
C638   C642    1.445   .     S
C639   C641    1.450   .     S
C641   C680    1.432   .     S
C642   C688    1.462   .     S
C642   H391    1.068   .     S
C643   C645    1.398   .     S
C643   C679    1.436   .     S
C645   C693    1.411   .     S
C646   C648    1.429   .     S
C646   C693    1.481   .     S
C647   C688    1.401   .     S
C647   C651    1.415   .     S
C648   C679    1.434   .     S
C650   C652    1.392   .     S
C650   C690    1.469   .     S
C651   C687    1.403   .     S
C652   C685    1.423   .     S
C653   C654    1.455   .     S
C653   C685    1.485   .     S
C654   C690    1.429   .     S
C655   C656    1.434   .     S
C655   C681    1.427   .     S
C656   C658    1.408   .     S
C659   C660    1.442   .     S
C659   H428    1.141   .     S
C659   C658    1.413   .     S
C660   C681    1.432   .     S
C679   C680    1.417   .     S
C681   C690    1.421   .     S
C682   C687    1.466   .     S
N128   C703    1.341   .     S
N128   C705    1.360   .     S
N129   C703    1.353   .     S
N129   C707    1.335   .     S
C703   C774    1.447   .     S
C733   H442    1.121   .     S
C733   C715    1.393   .     S
C733   C779    1.426   .     S
C736   H448    1.103   .     S
C736   C765    1.456   .     S
C736   C737    1.398   .     S
C737   H449    1.073   .     S
C737   C738    1.412   .     S
C738   C739    1.423   .     S
C738   H451    1.098   .     S
C739   H453    1.145   .     S
C739   C740    1.476   .     S
C740   C765    1.444   .     S
C740   H454    1.070   .     S
C741   C782    1.426   .     S
C741   H456    1.127   .     S
C741   C742    1.460   .     S
C742   C774    1.495   .     S
C742   H457    1.141   .     S
C743   H459    1.119   .     S
C743   C774    1.419   .     S
C743   C744    1.438   .     S
C744   H461    1.101   .     S
C744   C782    1.414   .     S
H450   C715    1.075   .     S
C765   C782    1.445   .     S
C927   H582    1.118   .     S
C927   C928    1.405   .     S
C927   C963    1.385   1_554 S
C928   H584    1.149   .     S
C928   C969    1.436   1_544 S
C1073  H672    1.102   .     S
C1073  C1074   1.420   .     S
C1073  C1072   1.425   .     S
C1074  C1075   1.415   .     S
C1074  H674    1.156   .     S
C1075  C1076   1.391   .     S
C1075  H675    1.098   .     S
C1076  H677    1.057   .     S
C1076  C1129   1.424   .     S
H757   C1177   1.105   .     S
C1155  C1251   1.434   .     S
C1155  N211    1.317   .     S
C1155  N212    1.373   .     S
C1177  C1179   1.450   .     S
C1177  C1239   1.445   1_554 S
C1179  C1251   1.388   .     S
C1179  H758    1.095   .     S
C1251  C1181   1.440   1_554 S
C1425  H903    1.081   .     S
C1425  C1424   1.386   1_545 S
C1425  C1426   1.410   1_545 S
H901   C1424   1.108   1_545 S
H905   C1426   1.043   1_545 S
N298   C1715   1.356   .     S
N298   C1563   1.356   .     S
N299   C1562   1.356   .     S
N299   C1715   1.341   .     S
N300   C1563   1.433   .     S
N300   C1562   1.325   .     S
C1562  C1690   1.453   .     S
C1563  C1692   1.413   .     S
C1597  C1598   1.402   .     S
C1597  H1057   1.099   .     S
C1597  C1702   1.407   1_554 S
C1598  C1690   1.464   .     S
C1598  H1061   1.073   .     S
C1654  C1697   1.413   .     S
C1654  C1655   1.398   .     S
C1654  H1062   1.107   .     S
C1655  H1063   1.121   .     S
C1655  C1692   1.460   .     S
C1656  C1657   1.428   .     S
C1656  C1692   1.428   .     S
C1656  H1065   1.082   .     S
C1657  H1067   1.071   .     S
C1657  C1697   1.429   .     S
C1658  C1707   1.430   .     S
C1658  C1659   1.450   .     S
C1658  H1068   1.056   .     S
C1659  H1070   1.131   .     S
C1659  C1660   1.399   .     S
C1660  H1071   1.095   .     S
C1660  C1661   1.365   .     S
C1661  H1072   1.082   .     S
C1661  C1662   1.450   .     S
C1662  H1074   1.130   .     S
C1662  C1707   1.428   .     S
H1056  C1715   1.140   .     S
C1690  C1599   1.451   1_554 S
C1697  C1707   1.420   .     S
C6     H51     1.087   .     S
C6     N17     1.369   1_455 S
C7     N17     1.367   1_455 S
C7     H52     1.107   1_455 S
N36    C103    1.363   .     S
N36    C102    1.364   1_545 S
N43    C235    1.336   .     S
N43    C108    1.353   .     S
N44    C108    1.341   .     S
N44    C109    1.350   .     S
N45    C235    1.326   .     S
N45    C109    1.305   .     S
C103   C205    1.438   .     S
C103   N34     1.309   1_545 S
C108   C230    1.429   .     S
C109   C207    1.495   .     S
C164   C198    1.411   .     S
C164   H94     1.102   .     S
C164   C165    1.430   .     S
C165   C230    1.399   .     S
C165   H96     1.076   .     S
C166   H98     1.138   .     S
C166   C167    1.421   .     S
C166   C230    1.457   .     S
C167   H100    1.137   .     S
C167   C198    1.467   .     S
C168   C169    1.386   .     S
C168   H101    1.080   .     S
C168   C210    1.414   .     S
C169   H103    1.075   .     S
C169   C205    1.445   .     S
C170   H105    1.101   .     S
C170   C171    1.447   .     S
C170   C205    1.434   .     S
C171   C210    1.413   .     S
C171   H107    1.174   .     S
C176   H117    1.095   .     S
C176   C177    1.420   .     S
C176   C202    1.421   .     S
C177   H118    1.073   .     S
C177   C178    1.413   .     S
C178   C179    1.417   .     S
C178   H120    1.067   .     S
C179   H122    1.118   .     S
C179   C180    1.422   .     S
C180   H123    1.123   .     S
C180   C202    1.412   .     S
C181   C182    1.466   .     S
C181   C211    1.419   .     S
C181   H125    1.118   .     S
C182   C207    1.420   .     S
C182   H127    1.092   .     S
C183   H129    1.089   .     S
C183   C184    1.434   .     S
C183   C207    1.472   .     S
C184   H131    1.100   .     S
C184   C211    1.458   .     S
H82    C128    1.114   1_545 S
H113   C235    1.042   .     S
C198   C210    1.416   .     S
C202   C211    1.471   .     S
N49    C245    1.351   .     S
N49    C243    1.320   .     S
N50    C243    1.349   .     S
N50    C241    1.355   .     S
N51    C241    1.347   .     S
N51    C245    1.338   .     S
N58    C344    1.380   .     S
N58    C248    1.362   .     S
N59    C249    1.389   .     S
N59    C248    1.311   .     S
N60    C249    1.374   .     S
N60    C344    1.353   .     S
C241   C312    1.428   .     S
C243   C337    1.394   .     S
C245   C315    1.448   .     S
C248   C316    1.385   .     S
C249   C325    1.456   .     S
C254   C317    1.446   .     S
C254   C310    1.404   .     S
C254   H180    1.085   .     S
C255   C256    1.447   .     S
C255   C317    1.425   .     S
C255   H171    1.079   .     S
C256   H205    1.121   .     S
C256   C327    1.425   .     S
C257   C258    1.430   .     S
C257   H154    1.075   .     S
C257   C324    1.402   .     S
C258   C312    1.388   .     S
C258   H163    1.051   .     S
C259   C260    1.363   .     S
C259   H175    1.086   .     S
C259   C312    1.510   .     S
C260   C324    1.458   .     S
C260   H184    1.092   .     S
C261   C336    1.419   .     S
C261   H149    1.093   .     S
C261   C263    1.419   .     S
C262   H198    1.105   .     S
C262   C337    1.422   .     S
C262   C272    1.500   .     S
C264   C322    1.374   .     S
C264   C265    1.429   .     S
C264   H156    1.079   .     S
C265   H160    1.071   .     S
C265   C325    1.445   .     S
C266   C325    1.425   .     S
C266   C267    1.413   .     S
C266   H165    1.130   .     S
C267   H168    1.058   .     S
C267   C322    1.431   .     S
C268   C269    1.373   .     S
C268   C311    1.466   .     S
C268   H173    1.009   .     S
C269   H177    1.102   .     S
C269   C315    1.487   .     S
C270   C315    1.413   .     S
C270   C271    1.441   .     S
C270   H182    1.094   .     S
C271   H188    1.138   .     S
C271   C311    1.460   .     S
C272   H189    1.154   .     S
C272   C334    1.401   .     S
C285   H164    1.112   .     S
C285   C330    1.409   .     S
C285   C284    1.408   1_545 S
C286   C287    1.418   .     S
C286   H166    1.087   .     S
C286   C326    1.430   .     S
C287   C316    1.478   .     S
C287   H167    1.110   .     S
C288   C289    1.463   .     S
C288   C316    1.402   .     S
C288   H169    1.169   .     S
C289   C326    1.411   .     S
C289   H170    1.124   .     S
C298   H190    1.107   .     S
C298   C336    1.431   .     S
C298   C273    1.447   .     S
C299   H193    1.087   .     S
C299   C309    1.413   .     S
C299   C334    1.408   .     S
C309   C337    1.404   .     S
C309   H212    1.143   .     S
C310   C327    1.443   .     S
C310   H158    1.107   .     S
H194   C344    1.112   .     S
C311   C322    1.439   .     S
C317   C247    1.414   .     S
C324   C327    1.433   .     S
C326   C330    1.407   .     S
C330   C282    1.398   1_545 S
C334   C336    1.439   .     S
N73    C347    1.341   .     S
N74    C365    1.334   .     S
N75    C347    1.372   .     S
N75    C365    1.353   .     S
C347   H222    1.090   .     S
H225   C388    1.111   1_545 S
C365   C457    1.439   1_545 S
N94    C468    1.341   .     S
N94    C464    1.341   .     S
N95    C464    1.336   .     S
N95    C466    1.388   .     S
N96    C466    1.341   .     S
N96    C468    1.353   .     S
N97    C469    1.317   .     S
N97    C471    1.331   .     S
N98    C470    1.373   .     S
N98    C469    1.337   .     S
N99    C471    1.366   .     S
N99    C470    1.342   .     S
C464   C597    1.439   .     S
C466   C575    1.404   .     S
C468   C596    1.473   .     S
C469   C564    1.468   .     S
C471   C572    1.430   .     S
C480   H295    1.107   .     S
C480   C481    1.431   .     S
C480   C579    1.429   .     S
C481   H349    1.087   .     S
C481   C564    1.440   .     S
C482   C564    1.430   .     S
C482   H300    1.079   .     S
C482   C483    1.391   .     S
C483   H324    1.067   .     S
C483   C579    1.438   .     S
C484   C577    1.412   .     S
C484   C485    1.424   .     S
C484   H370    1.084   .     S
C485   C597    1.444   .     S
C485   H309    1.141   .     S
C486   H310    1.127   .     S
C486   C565    1.422   .     S
C486   C528    1.415   .     S
C511   H368    1.071   .     S
C511   C512    1.479   .     S
C511   C567    1.428   .     S
C512   C596    1.427   .     S
C512   H372    1.148   .     S
C513   H287    1.081   .     S
C513   C596    1.398   .     S
C513   C514    1.455   .     S
C514   C567    1.480   .     S
C514   H288    1.084   .     S
C515   C583    1.436   .     S
C515   C516    1.465   .     S
C516   H291    1.088   .     S
C516   C594    1.439   .     S
C517   H292    1.086   .     S
C517   C594    1.441   .     S
C517   C518    1.440   .     S
C518   C583    1.374   .     S
C518   H294    1.110   .     S
C525   H307    1.060   .     S
C525   C572    1.399   .     S
C525   C526    1.504   .     S
C527   C597    1.452   .     S
C527   C529    1.419   .     S
C527   H314    1.136   .     S
C528   C575    1.426   .     S
C528   H315    1.097   .     S
C529   H317    1.124   .     S
C529   C577    1.435   .     S
C539   C542    1.424   .     S
C539   H336    1.080   .     S
C539   C575    1.412   .     S
C542   C565    1.415   .     S
C542   H345    1.111   .     S
C543   H344    1.119   .     S
C543   C544    1.446   .     S
C544   C580    1.423   .     S
C544   H358    1.145   .     S
C565   C579    1.411   .     S
C567   C583    1.418   .     S
C572   C524    1.431   .     S
C577   C580    1.422   .     S
C594   C479    1.511   .     S
H380   C635    1.115   .     S
H381   C644    1.073   .     S
H385   C649    1.049   .     S
H396   C665    1.087   1_545 S
N120   C610    1.378   .     S
C635   C644    1.416   .     S
C635   C700    1.448   .     S
C644   C684    1.387   .     S
N127   C705    1.349   .     S
N127   C707    1.328   .     S
N130   C708    1.390   .     S
N130   C704    1.318   .     S
N131   C704    1.382   .     S
N131   C706    1.342   .     S
N132   C706    1.327   .     S
N132   C708    1.369   .     S
N133   C709    1.334   .     S
N133   C710    1.347   .     S
N134   C785    1.361   .     S
N134   C709    1.403   .     S
N135   C710    1.397   .     S
N135   C785    1.415   .     S
C704   C769    1.383   .     S
C705   C779    1.448   .     S
C706   C772    1.442   .     S
C707   C778    1.452   .     S
C708   C771    1.433   .     S
C709   C767    1.454   .     S
C710   C776    1.398   .     S
C712   C713    1.435   .     S
C712   H475    1.084   .     S
C712   C779    1.415   .     S
C713   C763    1.466   .     S
C713   H446    1.128   .     S
C714   H484    1.062   .     S
C714   C735    1.422   .     S
C714   C777    1.449   .     S
C715   C763    1.417   .     S
C716   C717    1.390   .     S
C716   H458    1.058   .     S
C716   C766    1.438   .     S
C717   H467    1.111   .     S
C717   C776    1.428   .     S
C718   H479    1.108   .     S
C718   C776    1.475   .     S
C718   C719    1.453   .     S
C719   H488    1.099   .     S
C719   C766    1.391   .     S
C720   H441    1.095   .     S
C720   C770    1.423   .     S
C720   C721    1.419   .     S
C721   H447    1.131   .     S
C721   C769    1.403   .     S
C722   H452    1.103   .     S
C722   C769    1.445   .     S
C722   C723    1.451   .     S
C723   H455    1.076   .     S
C723   C770    1.404   .     S
C730   C731    1.453   .     S
C730   H486    1.121   .     S
C730   C771    1.450   .     S
C731   H490    1.094   .     S
C731   C781    1.442   1_554 S
C732   C777    1.443   .     S
C732   C734    1.394   .     S
C732   H439    1.124   .     S
C734   C772    1.439   .     S
C734   H443    1.077   .     S
C735   H462    1.083   .     S
C735   C772    1.453   .     S
C746   H465    1.121   .     S
C746   C767    1.420   .     S
C746   C745    1.443   .     S
C754   H478    1.152   .     S
C754   C775    1.417   .     S
C754   C755    1.444   .     S
C755   C756    1.405   .     S
C755   H480    1.112   .     S
C756   H482    1.101   .     S
C756   C757    1.430   .     S
C757   H483    1.113   .     S
C757   C758    1.442   .     S
C758   H485    1.072   .     S
C758   C775    1.426   .     S
C759   H487    1.112   .     S
C759   C760    1.370   .     S
C759   C783    1.448   .     S
C760   H489    1.065   .     S
C760   C778    1.430   .     S
C761   C778    1.406   .     S
C761   H491    1.110   .     S
C761   C762    1.408   .     S
C762   H492    1.148   .     S
C762   C783    1.375   .     S
H440   C785    1.103   .     S
C763   C777    1.418   .     S
C766   C770    1.441   .     S
C767   C747    1.436   .     S
C771   C729    1.441   1_554 S
C775   C783    1.449   .     S
N169   C979    1.342   .     S
N169   C874    1.307   .     S
N170   C979    1.336   .     S
N170   C980    1.385   .     S
N171   C874    1.356   .     S
N171   C980    1.315   .     S
N175   C981    1.343   .     S
N175   C876    1.361   .     S
N176   C876    1.381   .     S
N176   C978    1.329   .     S
N177   C978    1.322   .     S
N177   C981    1.382   .     S
C874   C968    1.427   .     S
C876   C942    1.426   .     S
C929   H586    1.116   .     S
C929   C930    1.431   .     S
C929   C946    1.403   .     S
C930   H588    1.147   .     S
C930   C942    1.382   .     S
C931   C932    1.458   .     S
C931   C942    1.432   .     S
C931   H590    1.096   .     S
C932   H591    1.085   .     S
C932   C946    1.453   .     S
H543   C905    1.062   1_545 S
H599   C979    1.099   .     S
H601   C980    1.101   .     S
H608   C981    1.120   .     S
H612   C978    1.090   .     S
C968   C905    1.404   1_545 S
C968   C906    1.463   1_545 S
N178   C984    1.332   .     S
N178   C986    1.360   .     S
N179   C982    1.307   .     S
N179   C984    1.362   .     S
N180   C986    1.312   .     S
N180   C982    1.380   .     S
N181   C983    1.328   .     S
N181   C987    1.360   .     S
N182   C983    1.332   .     S
N182   C985    1.336   .     S
N183   C987    1.318   .     S
N183   C985    1.369   .     S
C982   C1139   1.420   .     S
C983   C1110   1.437   .     S
C984   C1142   1.477   .     S
C985   C1130   1.422   .     S
C986   C1132   1.408   .     S
C987   C1124   1.464   .     S
C1004  C1005   1.466   .     S
C1004  H663    1.074   .     S
C1004  C1141   1.386   .     S
C1005  H676    1.084   .     S
C1005  C1132   1.385   .     S
C1015  C1016   1.442   .     S
C1015  H706    1.093   .     S
C1015  C1128   1.433   .     S
C1016  H715    1.098   .     S
C1016  C1142   1.481   .     S
C1017  H617    1.105   .     S
C1017  C1018   1.433   .     S
C1017  C1142   1.391   .     S
C1018  C1128   1.431   .     S
C1018  H623    1.095   .     S
C1019  H627    1.116   .     S
C1019  C1112   1.396   .     S
C1019  C1020   1.454   .     S
C1022  C1112   1.409   .     S
C1022  H638    1.117   .     S
C1022  C1021   1.434   .     S
C1031  C1033   1.441   .     S
C1031  C1132   1.522   .     S
C1031  H688    1.150   .     S
C1032  H689    1.147   .     S
C1032  C1110   1.449   .     S
C1032  C1006   1.461   .     S
C1033  H694    1.072   .     S
C1033  C1141   1.445   .     S
C1034  C1110   1.431   .     S
C1034  H619    1.125   .     S
C1034  C1044   1.443   .     S
C1043  H622    1.067   .     S
C1043  C1063   1.400   .     S
C1043  C1143   1.445   .     S
C1050  H632    1.093   .     S
C1050  C1051   1.398   .     S
C1050  C1105   1.441   .     S
C1051  C1130   1.385   .     S
C1051  H633    1.110   .     S
C1052  H635    1.119   .     S
C1052  C1130   1.417   .     S
C1052  C1053   1.433   .     S
C1053  H637    1.136   .     S
C1053  C1105   1.404   .     S
C1063  C1124   1.449   .     S
C1063  H654    1.098   .     S
C1081  C1124   1.411   .     S
C1081  H686    1.076   .     S
C1081  C1083   1.418   .     S
C1083  C1143   1.403   .     S
C1083  H652    1.168   .     S
C1093  C1135   1.435   .     S
C1093  H705    1.128   .     S
C1093  C1094   1.423   .     S
C1094  C1095   1.427   .     S
C1094  H707    1.132   .     S
C1095  H709    1.099   .     S
C1095  C1096   1.434   .     S
C1096  C1097   1.415   .     S
C1096  H711    1.103   .     S
C1097  C1135   1.433   .     S
C1097  H713    1.141   .     S
C1098  H714    1.083   .     S
C1098  C1099   1.442   .     S
C1098  C1144   1.394   .     S
C1099  C1139   1.434   .     S
C1099  H716    1.137   .     S
C1100  H718    1.096   .     S
C1100  C1101   1.408   .     S
C1100  C1139   1.441   .     S
C1101  C1144   1.410   .     S
C1101  H719    1.138   .     S
C1105  C1107   1.466   .     S
C1112  C1128   1.443   .     S
C1135  C1144   1.435   .     S
C1141  C1143   1.417   .     S
H720   C1166   1.096   .     S
H726   C1226   1.083   .     S
H727   C1175   1.088   .     S
H728   C1197   1.094   .     S
H729   C1174   1.121   .     S
H730   C1203   1.136   .     S
H731   C1176   1.115   .     S
H732   C1214   1.092   .     S
H733   C1178   1.108   .     S
H734   C1182   1.116   .     S
H735   C1187   1.115   .     S
H736   C1191   1.086   .     S
H738   C1221   1.094   .     S
H740   C1205   1.085   .     S
H741   C1211   1.067   .     S
H742   C1173   1.124   .     S
H743   C1180   1.105   .     S
H744   C1194   1.182   .     S
H745   C1201   1.130   .     S
H747   C1209   1.110   .     S
H748   C1189   1.085   .     S
H749   C1199   1.160   .     S
H750   C1207   1.149   .     S
H751   C1212   1.096   .     S
H752   C1172   1.154   .     S
H753   C1210   1.056   .     S
H754   C1213   1.128   .     S
H776   C1215   1.120   .     S
H777   C1216   1.092   .     S
H780   C1220   1.138   .     S
H781   C1222   1.086   .     S
N202   C1151   1.318   .     S
N202   C1166   1.355   .     S
N207   C1152   1.377   .     S
N207   C1163   1.357   .     S
N208   C1152   1.341   .     S
N208   C1164   1.356   .     S
N209   C1153   1.336   .     S
N209   C1151   1.330   .     S
N211   C1154   1.347   .     S
N213   C1158   1.352   .     S
N213   C1156   1.361   .     S
N214   C1156   1.374   .     S
N214   C1157   1.334   .     S
N215   C1158   1.329   .     S
N215   C1157   1.346   .     S
N222   C1166   1.350   .     S
N222   C1153   1.364   .     S
C1151  C1248   1.453   .     S
C1152  C1241   1.435   .     S
C1153  C1247   1.393   .     S
C1156  C1236   1.438   .     S
C1157  C1242   1.412   .     S
C1158  C1237   1.444   .     S
C1163  H756    1.091   .     S
C1163  N206    1.322   .     S
C1172  C1241   1.427   .     S
C1172  C1212   1.438   .     S
C1173  C1249   1.499   .     S
C1173  C1180   1.469   .     S
C1174  C1245   1.425   .     S
C1174  C1203   1.446   .     S
C1175  C1197   1.409   .     S
C1175  C1247   1.437   .     S
C1176  C1242   1.448   .     S
C1176  C1214   1.474   .     S
C1178  C1182   1.483   .     S
C1178  C1246   1.450   .     S
C1180  C1236   1.406   .     S
C1182  C1248   1.424   .     S
C1187  C1248   1.435   .     S
C1187  C1191   1.416   .     S
C1189  C1237   1.446   .     S
C1189  C1209   1.461   .     S
C1191  C1246   1.435   .     S
C1194  C1201   1.496   .     S
C1194  C1236   1.407   .     S
C1197  C1240   1.421   1_554 S
C1199  C1237   1.434   .     S
C1199  C1207   1.379   .     S
C1201  C1249   1.382   .     S
C1203  C1242   1.442   .     S
C1205  C1211   1.456   .     S
C1205  C1253   1.446   .     S
C1207  C1229   1.486   .     S
C1209  C1229   1.443   .     S
C1210  C1213   1.397   .     S
C1210  C1241   1.383   .     S
C1211  C1232   1.399   .     S
C1212  C1235   1.424   .     S
C1213  C1235   1.456   .     S
C1214  C1245   1.428   .     S
C1215  C1216   1.388   .     S
C1215  C1243   1.420   .     S
C1216  C1238   1.365   .     S
C1221  C1232   1.426   .     S
C1221  C1224   1.405   .     S
C1226  C1247   1.395   .     S
C1226  C1217   1.394   1_554 S
C1229  C1235   1.454   .     S
C1232  C1249   1.378   .     S
C1245  C1246   1.428   .     S
N266   C1536   1.377   .     S
N266   C1462   1.363   .     S
N267   C1536   1.289   .     S
N267   C1540   1.330   1_554 S
C1462  C1519   1.393   .     S
C1462  N265    1.364   1_554 S
C1478  C1479   1.458   .     S
C1478  H935    1.155   .     S
C1478  C1533   1.397   1_554 S
C1479  C1519   1.491   .     S
C1479  H938    1.037   .     S
H961   C1536   1.115   .     S
C1519  C1480   1.430   1_554 S
N289   C1713   1.355   .     S
N289   C1559   1.335   .     S
N290   C1709   1.334   .     S
N290   C1713   1.350   .     S
N291   C1559   1.345   .     S
N291   C1709   1.329   .     S
C1559  C1689   1.402   .     S
C1605  H973    1.091   .     S
C1605  C1686   1.420   .     S
C1605  C1606   1.423   .     S
C1606  H975    1.080   .     S
C1606  C1689   1.420   .     S
C1607  H977    1.093   .     S
C1607  C1689   1.470   .     S
C1607  C1608   1.418   .     S
C1608  H978    1.041   .     S
C1608  C1686   1.459   .     S
H980   C1609   1.028   1_554 S
H1012  C1713   1.108   .     S
H1014  C1709   1.085   .     S
C1686  C1694   1.459   1_554 S
N19    C8      1.354   .     S
N19    C9      1.363   .     S
N20    C8      1.327   .     S
N20    C20     1.382   1_565 S
C9     H53     1.111   .     S
C9     N21     1.360   1_565 S
C306   C307    1.431   .     S
C306   H204    1.090   .     S
C306   C305    1.445   .     S
C307   C308    1.429   .     S
C307   H206    1.109   .     S
C308   H208    1.124   .     S
C308   C331    1.394   .     S
N70    C355    1.336   .     S
N70    C346    1.297   1_565 S
N72    C355    1.373   .     S
N72    C364    1.329   1_565 S
N76    C356    1.397   .     S
N76    C361    1.334   .     S
N77    C356    1.312   .     S
N77    C359    1.376   .     S
N78    C359    1.359   .     S
N78    C361    1.319   .     S
N83    C358    1.346   .     S
N83    C357    1.401   1_455 S
N84    C349    1.342   .     S
N84    C358    1.381   .     S
N85    C362    1.385   .     S
N85    C360    1.386   .     S
N86    C360    1.369   .     S
N86    C350    1.354   .     S
N87    C362    1.349   .     S
N87    C350    1.335   .     S
C349   H261    1.077   .     S
C349   N82     1.401   1_455 S
C350   H265    1.071   .     S
H214   C430    1.088   .     S
H215   C417    1.114   .     S
H216   C392    1.107   .     S
H217   C377    1.096   .     S
H218   C421    1.088   .     S
H219   C389    1.122   .     S
H220   C373    1.095   .     S
H221   C382    1.098   .     S
H232   C391    1.067   1_565 S
H233   C400    1.101   .     S
H234   C403    1.098   .     S
H235   C407    1.050   .     S
H236   C410    1.087   .     S
H237   C415    1.168   .     S
H238   C419    1.047   .     S
H239   C424    1.068   .     S
H240   C427    1.096   .     S
H241   C431    1.104   1_565 S
H253   C376    1.118   .     S
H254   C378    1.097   .     S
H255   C379    1.095   .     S
H256   C381    1.130   .     S
H257   C383    1.137   .     S
H258   C385    1.074   .     S
H259   C386    1.118   .     S
H260   C387    1.099   .     S
H280   C422    1.084   .     S
H281   C423    1.107   .     S
H282   C425    1.092   .     S
H283   C397    1.079   1_565 S
H286   C429    1.113   1_565 S
C355   C451    1.423   .     S
C356   C455    1.448   .     S
C358   C448    1.433   .     S
C359   C445    1.443   .     S
C360   C453    1.436   .     S
C361   C452    1.481   .     S
C362   C449    1.438   .     S
C373   C382    1.455   .     S
C373   C455    1.463   .     S
C376   C378    1.423   .     S
C376   C438    1.381   .     S
C377   C441    1.406   .     S
C377   C392    1.436   .     S
C378   C445    1.440   .     S
C379   C445    1.395   .     S
C379   C381    1.395   .     S
C381   C438    1.420   .     S
C382   C461    1.423   .     S
C383   C437    1.449   .     S
C383   C385    1.432   .     S
C385   C453    1.399   .     S
C386   C387    1.417   .     S
C386   C453    1.403   .     S
C387   C437    1.451   .     S
C389   C421    1.438   .     S
C389   C455    1.431   .     S
C392   C451    1.430   .     S
C400   C403    1.497   .     S
C400   C436    1.407   .     S
C403   C452    1.402   .     S
C407   C410    1.424   .     S
C407   C452    1.422   .     S
C410   C436    1.440   .     S
C415   C419    1.396   .     S
C415   C460    1.419   .     S
C417   C451    1.408   .     S
C417   C430    1.431   .     S
C419   C448    1.411   .     S
C421   C461    1.414   .     S
C422   C449    1.400   .     S
C422   C420    1.450   1_554 S
C423   C449    1.434   .     S
C423   C425    1.429   .     S
C424   C427    1.430   .     S
C424   C448    1.415   .     S
C425   C454    1.432   1_554 S
C427   C460    1.368   .     S
C430   C441    1.414   .     S
C436   C460    1.429   .     S
C437   C438    1.428   .     S
C441   C461    1.436   .     S
N109   C604    1.368   .     S
N109   C603    1.345   1_565 S
N111   C478    1.333   .     S
N111   C604    1.376   .     S
C478   N110    1.335   1_565 S
C478   C574    1.461   1_565 S
C495   H293    1.120   .     S
C495   C496    1.447   .     S
C495   C581    1.413   1_565 S
C496   H297    1.124   .     S
C496   C574    1.438   1_565 S
C554   C591    1.429   .     S
C554   H363    1.122   .     S
C558   C599    1.411   .     S
C558   C559    1.437   .     S
C558   H369    1.145   .     S
C559   H371    1.078   .     S
C559   C560    1.394   .     S
C560   H373    1.068   .     S
C560   C561    1.419   .     S
C561   H374    1.094   .     S
C561   C562    1.433   .     S
C562   C599    1.432   .     S
C562   H376    1.091   .     S
H337   C604    1.083   .     S
H353   C491    1.138   .     S
C591   C599    1.397   .     S
H400   C672    1.101   .     S
H402   C618    1.130   .     S
H427   C658    1.123   .     S
H430   C662    1.153   .     S
H431   C664    1.098   .     S
H432   C666    1.080   .     S
H435   C671    1.091   .     S
H436   C673    1.088   .     S
N116   C608    1.365   .     S
N116   C618    1.353   .     S
N118   C607    1.339   .     S
N118   C618    1.360   .     S
N119   C607    1.316   .     S
N119   C608    1.340   .     S
C607   C691    1.425   .     S
C608   C697    1.461   .     S
C662   C664    1.420   .     S
C662   C692    1.451   .     S
C664   C666    1.452   .     S
C666   C668    1.390   .     S
C668   H433    1.089   .     S
C668   C670    1.400   .     S
C671   C702    1.416   .     S
C671   C673    1.433   .     S
C673   C697    1.415   .     S
C692   C702    1.476   .     S
C692   C670    1.429   .     S
C697   C675    1.435   .     S
C702   C677    1.421   .     S
C749   C750    1.424   .     S
C749   H470    1.095   .     S
C749   C764    1.420   .     S
C750   C751    1.411   .     S
C750   H471    1.122   .     S
C751   H473    1.112   .     S
C751   C752    1.436   .     S
C752   C753    1.424   .     S
C752   H474    1.115   .     S
C753   H476    1.083   .     S
C753   C764    1.455   .     S
N148   C859    1.371   .     S
N148   C794    1.377   .     S
N149   C859    1.350   .     S
N149   C793    1.334   .     S
N150   C793    1.330   .     S
N150   C794    1.366   .     S
N151   C856    1.395   .     S
N151   C861    1.365   .     S
N152   C856    1.335   .     S
N152   C795    1.356   .     S
N153   C861    1.313   .     S
N153   C795    1.345   .     S
C793   C840    1.463   .     S
C794   C846    1.398   .     S
C795   C837    1.415   .     S
C818   C819    1.434   .     S
C818   C841    1.418   .     S
C818   H506    1.081   1_455 S
C819   C820    1.376   .     S
C819   H508    1.138   .     S
C820   H510    1.099   .     S
C820   C821    1.421   .     S
C821   H512    1.145   .     S
C821   C822    1.448   .     S
C822   H513    1.080   .     S
C822   C841    1.428   .     S
C827   H521    1.114   .     S
C827   C842    1.434   .     S
C827   C828    1.417   .     S
C828   C837    1.447   .     S
C828   H522    1.102   .     S
C829   C837    1.443   .     S
C829   C830    1.466   .     S
C829   H524    1.120   .     S
C830   H526    1.086   .     S
C830   C842    1.426   .     S
C831   H528    1.074   .     S
C831   C851    1.435   .     S
C831   C832    1.380   .     S
C832   H529    1.114   .     S
C832   C846    1.421   .     S
C833   H531    1.138   .     S
C833   C846    1.429   .     S
C833   C834    1.401   .     S
C834   C851    1.410   .     S
C834   H533    1.066   .     S
H495   C813    1.088   .     S
H502   C859    1.150   .     S
H534   C861    1.119   .     S
H536   C856    1.108   .     S
C841   C853    1.483   1_455 S
C842   C851    1.485   .     S
N157   C863    1.362   .     S
N157   C867    1.353   .     S
N158   C863    1.378   .     S
N158   C865    1.313   .     S
N159   C867    1.328   .     S
N159   C865    1.291   .     S
N160   C870    1.351   .     S
N160   C868    1.365   .     S
N161   C869    1.327   .     S
N161   C868    1.350   .     S
N162   C869    1.364   .     S
N162   C870    1.360   .     S
C863   C950    1.440   .     S
C865   C955    1.455   .     S
C867   C949    1.439   .     S
C868   C954    1.429   .     S
C869   C961    1.400   .     S
C870   C964    1.476   .     S
C877   C939    1.382   .     S
C877   C945    1.430   .     S
C877   H578    1.126   .     S
C878   C879    1.393   .     S
C878   H600    1.094   .     S
C878   C948    1.444   .     S
C879   C950    1.436   .     S
C879   H573    1.101   .     S
C880   C881    1.417   .     S
C880   H587    1.137   .     S
C880   C950    1.435   .     S
C881   H613    1.154   .     S
C881   C948    1.442   .     S
C884   C894    1.454   .     S
C884   H562    1.103   .     S
C884   C945    1.447   .     S
C894   C961    1.482   .     S
C894   H568    1.128   .     S
C895   C944    1.392   .     S
C895   C896    1.435   .     S
C895   H576    1.087   .     S
C896   H580    1.114   .     S
C896   C964    1.415   .     S
C897   C964    1.405   .     S
C897   C898    1.383   .     S
C897   H585    1.105   .     S
C898   H589    1.060   .     S
C898   C944    1.394   .     S
C899   C959    1.430   .     S
C899   C900    1.423   .     S
C899   H594    1.107   .     S
C900   H597    1.044   .     S
C900   C901    1.405   .     S
C901   H603    1.147   .     S
C901   C902    1.441   .     S
C902   H609    1.140   .     S
C902   C903    1.449   .     S
C903   C959    1.399   .     S
C903   H540    1.150   .     S
C916   C917    1.409   .     S
C916   C962    1.434   .     S
C916   H561    1.159   .     S
C917   C954    1.422   .     S
C917   H563    1.127   .     S
C918   C919    1.406   .     S
C918   H564    1.083   .     S
C918   C954    1.434   .     S
C919   C962    1.423   .     S
C919   H565    1.074   .     S
C921   H572    1.090   .     S
C921   C922    1.402   .     S
C921   C958    1.425   1_554 S
C922   C949    1.439   .     S
C922   H574    1.123   .     S
C939   C961    1.455   .     S
C939   H610    1.072   .     S
H554   C912    1.044   .     S
C944   C959    1.433   .     S
C945   C948    1.434   .     S
C949   C923    1.402   1_554 S
C962   C972    1.424   .     S
N187   C992    1.343   .     S
N187   C991    1.330   .     S
N188   C991    1.377   .     S
N188   C1147   1.338   .     S
N190   C995    1.344   .     S
N190   C993    1.327   1_455 S
N193   C996    1.394   .     S
N193   C997    1.342   .     S
N194   C996    1.344   .     S
N194   C1148   1.380   .     S
N195   C997    1.375   .     S
N195   C1148   1.343   .     S
N196   C999    1.412   .     S
N196   C1149   1.350   .     S
N197   C998    1.377   .     S
N197   C1149   1.373   .     S
N198   C998    1.376   .     S
N198   C999    1.369   .     S
C991   C1119   1.469   .     S
C992   C1118   1.449   .     S
C992   N189    1.319   .     S
C995   C1126   1.422   .     S
C995   N192    1.387   1_455 S
C996   C1102   1.451   .     S
C997   C1134   1.412   .     S
C998   C1120   1.460   .     S
C999   C1104   1.442   .     S
C1011  C1012   1.383   .     S
C1011  H659    1.090   .     S
C1011  C1117   1.467   .     S
C1012  H668    1.087   .     S
C1012  C1118   1.423   .     S
C1023  C1131   1.402   .     S
C1023  C1024   1.458   .     S
C1023  H642    1.085   .     S
C1024  H646    1.113   .     S
C1024  C1104   1.423   .     S
C1025  C1026   1.461   .     S
C1025  C1104   1.432   .     S
C1025  H650    1.069   .     S
C1026  H656    1.083   .     S
C1026  C1131   1.389   .     S
C1027  H661    1.101   .     S
C1027  C1123   1.435   .     S
C1027  C1028   1.458   .     S
C1028  C1109   1.434   .     S
C1028  H665    1.124   .     S
C1029  H670    1.084   .     S
C1029  C1030   1.426   .     S
C1029  C1109   1.436   .     S
C1030  H673    1.108   .     S
C1030  C1123   1.446   .     S
C1035  H699    1.132   .     S
C1035  C1036   1.429   .     S
C1035  C1136   1.462   .     S
C1036  C1126   1.426   .     S
C1036  H703    1.099   .     S
C1037  C1038   1.388   .     S
C1037  H708    1.094   .     S
C1037  C1126   1.426   .     S
C1038  C1136   1.429   .     S
C1038  H712    1.063   .     S
C1039  C1040   1.418   .     S
C1039  H717    1.076   .     S
C1039  C1115   1.422   .     S
C1040  C1102   1.456   .     S
C1040  H614    1.132   .     S
C1041  C1042   1.411   .     S
C1041  H616    1.130   .     S
C1041  C1102   1.460   .     S
C1042  C1115   1.418   .     S
C1042  H618    1.102   .     S
C1054  C1055   1.438   .     S
C1054  C1133   1.451   .     S
C1054  H639    1.076   1_554 S
C1055  H640    1.126   .     S
C1055  C1119   1.484   .     S
C1056  H641    1.122   .     S
C1056  C1057   1.458   .     S
C1056  C1119   1.441   .     S
C1057  C1133   1.370   .     S
C1057  H643    1.091   .     S
C1058  H645    1.079   .     S
C1058  C1059   1.439   .     S
C1058  C1113   1.419   .     S
C1059  H647    1.105   .     S
C1059  C1060   1.422   .     S
C1060  C1061   1.407   .     S
C1060  H648    1.069   .     S
C1061  C1062   1.407   .     S
C1061  H649    1.099   .     S
C1062  C1113   1.411   .     S
C1062  H651    1.125   .     S
C1072  C1129   1.431   .     S
C1072  H671    1.114   .     S
C1077  C1140   1.464   .     S
C1077  C1078   1.431   .     S
C1077  H679    1.096   .     S
C1078  H680    1.072   .     S
C1078  C1134   1.442   .     S
C1079  H681    1.095   .     S
C1079  C1134   1.407   .     S
C1079  C1080   1.411   .     S
C1080  H683    1.073   .     S
C1080  C1140   1.430   .     S
H621   C1148   1.110   .     S
H636   C1009   1.093   .     S
H644   C1010   1.071   .     S
H653   C1149   1.115   .     S
H660   C1066   1.109   1_455 S
C1109  C990    1.412   .     S
C1113  C1133   1.408   .     S
C1115  C1136   1.425   .     S
C1118  C1013   1.426   .     S
C1123  C1131   1.421   .     S
C1129  C1140   1.478   .     S
C1147  N189    1.354   .     S
C1147  H682    1.144   .     S
H765   C1165   1.059   .     S
N212   C1165   1.384   .     S
C1165  N210    1.336   .     S
N223   C1257   1.372   .     S
N223   C1259   1.361   .     S
N224   C1257   1.317   .     S
N224   C1255   1.313   .     S
N225   C1255   1.345   .     S
N225   C1259   1.367   .     S
N229   C1380   1.339   .     S
N229   C1260   1.345   .     S
N230   C1261   1.334   .     S
N230   C1260   1.325   .     S
N231   C1261   1.388   .     S
N231   C1380   1.358   .     S
N235   C1264   1.361   .     S
N235   C1266   1.345   .     S
N236   C1265   1.332   .     S
N236   C1264   1.335   .     S
N237   C1265   1.332   .     S
N237   C1266   1.348   .     S
C1255  C1369   1.440   .     S
C1257  C1347   1.434   .     S
C1259  C1361   1.450   .     S
C1260  C1348   1.437   .     S
C1261  C1371   1.478   .     S
C1264  C1354   1.448   .     S
C1265  C1346   1.433   .     S
C1266  C1362   1.429   .     S
C1271  C1347   1.400   .     S
C1271  H834    1.080   .     S
C1271  C1270   1.412   .     S
C1272  H786    1.092   .     S
C1272  C1347   1.403   .     S
C1272  C1273   1.409   .     S
C1273  H795    1.055   .     S
C1273  C1356   1.432   .     S
C1274  C1361   1.420   .     S
C1274  C1307   1.438   .     S
C1274  H812    1.129   .     S
C1275  H829    1.086   .     S
C1275  C1285   1.418   .     S
C1275  C1361   1.395   .     S
C1284  C1286   1.454   .     S
C1284  H814    1.101   .     S
C1284  C1375   1.435   .     S
C1285  C1351   1.438   .     S
C1285  H816    1.101   .     S
C1286  C1348   1.475   .     S
C1286  H820    1.057   .     S
C1287  C1297   1.451   .     S
C1287  C1348   1.420   .     S
C1287  H863    1.154   .     S
C1289  H832    1.148   .     S
C1289  C1352   1.432   .     S
C1289  C1290   1.451   .     S
C1290  H836    1.122   .     S
C1290  C1371   1.436   .     S
C1291  H841    1.118   .     S
C1291  C1371   1.430   .     S
C1291  C1292   1.455   .     S
C1292  H844    1.043   .     S
C1292  C1352   1.474   .     S
C1293  H849    1.109   .     S
C1293  C1294   1.450   .     S
C1293  C1373   1.434   .     S
C1294  C1362   1.400   .     S
C1294  H852    1.136   .     S
C1295  H856    1.120   .     S
C1295  C1362   1.437   .     S
C1295  C1296   1.423   .     S
C1296  H860    1.082   .     S
C1296  C1373   1.440   .     S
C1297  C1375   1.456   .     S
C1297  H788    1.146   .     S
C1307  H806    1.061   .     S
C1307  C1351   1.456   .     S
C1309  H807    1.056   .     S
C1309  C1353   1.422   .     S
C1309  C1310   1.445   .     S
C1310  C1369   1.420   .     S
C1310  H809    1.120   .     S
C1311  C1369   1.463   .     S
C1311  C1312   1.406   .     S
C1311  H811    1.098   .     S
C1312  C1353   1.444   .     S
C1312  H813    1.112   .     S
C1316  H819    1.128   .     S
C1316  C1317   1.444   .     S
C1316  C1315   1.389   .     S
C1317  H821    1.080   .     S
C1317  C1370   1.436   .     S
C1318  C1319   1.408   .     S
C1318  H822    1.119   1_455 S
C1318  C1355   1.423   1_455 S
C1319  C1346   1.455   .     S
C1319  H824    1.077   .     S
C1320  H825    1.110   .     S
C1320  C1321   1.431   .     S
C1320  C1346   1.458   .     S
C1321  H826    1.111   .     S
C1321  C1355   1.406   1_455 S
C1327  C1349   1.433   .     S
C1327  C1328   1.448   .     S
C1327  H837    1.106   .     S
C1328  H838    1.057   .     S
C1328  C1329   1.457   .     S
C1329  H840    1.095   .     S
C1329  C1330   1.419   .     S
C1330  C1331   1.402   .     S
C1330  H842    1.100   .     S
C1331  H843    1.072   .     S
C1331  C1349   1.461   .     S
C1332  C1333   1.401   .     S
C1332  C1358   1.414   .     S
C1332  H845    1.080   .     S
C1333  H846    1.147   .     S
C1333  C1354   1.469   .     S
C1334  C1354   1.388   .     S
C1334  C1335   1.441   .     S
C1334  H848    1.150   .     S
C1335  H850    1.120   .     S
C1335  C1358   1.437   .     S
H808   C1380   1.055   .     S
C1349  C1358   1.414   .     S
C1351  C1375   1.429   .     S
C1352  C1373   1.468   .     S
C1353  C1370   1.448   .     S
C1370  C1313   1.439   .     S
N250   C1387   1.361   .     S
N250   C1450   1.352   .     S
N251   C1387   1.390   .     S
N251   C1388   1.335   .     S
N252   C1388   1.334   .     S
N252   C1450   1.354   .     S
C1387  C1444   1.412   .     S
C1388  C1443   1.392   .     S
C1422  H897    1.060   .     S
C1422  C1423   1.453   .     S
C1422  C1440   1.441   .     S
C1423  C1424   1.371   .     S
C1423  H899    1.061   .     S
C1424  H901    1.108   1_565 S
C1424  C1425   1.386   1_565 S
C1426  C1440   1.399   .     S
C1426  C1425   1.410   1_565 S
C1426  H905    1.043   1_565 S
C1427  C1448   1.423   .     S
C1427  H907    1.092   .     S
C1427  C1428   1.462   .     S
C1428  H908    1.086   .     S
C1428  C1444   1.392   .     S
C1429  C1430   1.449   .     S
C1429  C1444   1.454   .     S
C1429  H909    1.106   .     S
C1430  H910    1.069   .     S
C1430  C1448   1.480   .     S
H875   C1409   1.158   .     S
H878   C1450   1.073   .     S
H894   C1420   1.134   1_554 S
C1440  C1448   1.485   .     S
C1484  C1485   1.411   .     S
C1484  H912    1.128   .     S
C1484  C1516   1.433   .     S
C1485  H914    1.128   1_455 S
C1485  C1526   1.394   1_455 S
C1487  C1516   1.438   .     S
C1487  H917    1.086   .     S
C1487  C1486   1.445   1_455 S
C1488  H919    1.112   .     S
C1488  C1522   1.405   .     S
C1488  C1489   1.426   .     S
C1489  C1490   1.387   .     S
C1489  H921    1.176   .     S
C1490  H923    1.178   .     S
C1490  C1491   1.426   .     S
C1491  H924    1.117   .     S
C1491  C1492   1.514   .     S
C1492  C1522   1.410   .     S
C1492  H925    1.117   .     S
H964   C1537   1.110   .     S
C1516  C1522   1.424   .     S
C1537  N268    1.336   .     S
C1537  N269    1.357   .     S
H1017  C1710   1.092   1_554 S
N34    C234    1.352   .     S
N34    C103    1.309   1_565 S
N35    C102    1.338   .     S
N35    C234    1.321   .     S
C102   C231    1.441   .     S
C102   N36     1.364   1_565 S
C127   H79     1.071   .     S
C127   C214    1.412   .     S
C127   C128    1.447   .     S
C128   C231    1.393   .     S
C128   H82     1.114   1_565 S
C129   C231    1.435   .     S
C129   H87     1.074   .     S
C129   C130    1.422   .     S
C130   H90     1.108   .     S
C130   C214    1.456   .     S
C131   H95     1.044   .     S
C131   C224    1.447   .     S
C131   C132    1.432   1_554 S
C134   C224    1.440   .     S
C134   H109    1.087   .     S
C134   C133    1.412   1_554 S
H116   C234    1.101   .     S
C214   C224    1.384   .     S
N55    C339    1.318   .     S
N55    C246    1.366   .     S
N56    C246    1.375   .     S
N56    C247    1.356   .     S
N57    C247    1.375   .     S
N57    C339    1.382   .     S
N61    C341    1.362   .     S
N61    C251    1.372   .     S
N62    C341    1.329   .     S
N62    C250    1.344   .     S
N63    C250    1.343   .     S
N63    C251    1.321   .     S
N64    C252    1.379   .     S
N64    C338    1.323   .     S
N65    C343    1.348   .     S
N65    C252    1.414   .     S
N66    C338    1.361   .     S
N66    C343    1.354   .     S
C246   C320    1.388   .     S
C250   C319    1.442   .     S
C251   C318    1.433   .     S
C252   C332    1.483   .     S
C282   C283    1.366   .     S
C282   H159    1.130   .     S
C282   C330    1.398   1_565 S
C283   H161    1.141   .     S
C283   C319    1.425   .     S
C284   C319    1.441   .     S
C284   H162    1.120   .     S
C284   C285    1.408   1_565 S
C290   H172    1.154   .     S
C290   C291    1.439   .     S
C290   C314    1.424   .     S
C291   H174    1.092   .     S
C291   C332    1.441   .     S
C292   C332    1.421   .     S
C292   C293    1.429   .     S
C292   H176    1.118   .     S
C293   C314    1.417   .     S
C293   H178    1.141   .     S
C294   C328    1.485   .     S
C294   H179    1.109   .     S
C294   C295    1.381   .     S
C295   C320    1.410   .     S
C295   H181    1.066   .     S
C296   C297    1.466   .     S
C296   C320    1.474   .     S
C296   H183    1.086   .     S
C297   C328    1.407   .     S
C297   H185    1.082   .     S
C300   C301    1.439   .     S
C300   H195    1.081   .     S
C300   C323    1.439   .     S
C301   C318    1.404   .     S
C301   H197    1.082   .     S
C302   H199    1.064   .     S
C302   C303    1.430   .     S
C302   C318    1.432   .     S
C303   H200    1.150   .     S
C303   C323    1.447   .     S
C304   H201    1.102   .     S
C304   C331    1.446   .     S
C304   C305    1.427   .     S
C305   H203    1.129   .     S
H187   C341    1.069   .     S
H191   C338    1.082   .     S
H192   C343    1.062   .     S
H202   C339    1.089   .     S
C314   C328    1.426   .     S
C323   C331    1.433   .     S
N79    C353    1.309   .     S
N79    C354    1.338   .     S
N80    C353    1.285   .     S
N80    C348    1.312   .     S
N81    C348    1.344   .     S
N81    C354    1.341   .     S
N82    C357    1.345   .     S
N82    C349    1.401   1_655 S
C348   H243    1.126   .     S
H224   C428    1.078   .     S
H226   C398    1.119   .     S
H227   C367    1.109   .     S
H228   C371    1.123   .     S
H229   C375    1.095   .     S
H230   C380    1.072   .     S
H231   C384    1.119   .     S
H244   C395    1.136   .     S
H245   C396    1.133   .     S
H246   C412    1.114   .     S
H247   C432    1.154   .     S
H248   C368    1.124   .     S
H249   C369    1.097   .     S
H250   C370    1.235   .     S
H251   C372    1.083   .     S
H252   C374    1.056   .     S
H266   C399    1.084   .     S
H267   C401    1.133   .     S
H268   C402    1.188   .     S
H269   C404    1.086   .     S
H270   C405    1.084   .     S
H271   C406    1.160   .     S
H272   C408    1.092   .     S
H273   C409    1.117   .     S
H274   C411    1.075   .     S
C353   C440    1.423   .     S
C354   C458    1.482   .     S
C357   C442    1.453   .     S
C357   N83     1.401   1_655 S
C367   C435    1.470   .     S
C367   C398    1.440   .     S
C368   C446    1.458   .     S
C368   C369    1.434   .     S
C369   C370    1.424   .     S
C370   C372    1.439   .     S
C371   C462    1.415   .     S
C371   C375    1.407   .     S
C372   C374    1.433   .     S
C374   C446    1.439   .     S
C375   C440    1.486   .     S
C380   C384    1.462   .     S
C380   C440    1.497   .     S
C384   C462    1.463   .     S
C388   C428    1.449   .     S
C388   C457    1.439   .     S
C388   H225    1.111   1_565 S
C395   C396    1.448   .     S
C395   C433    1.446   .     S
C396   C458    1.464   .     S
C398   C457    1.432   .     S
C399   C401    1.415   .     S
C399   C450    1.431   .     S
C401   C442    1.462   .     S
C402   C404    1.399   .     S
C402   C442    1.429   .     S
C404   C450    1.401   .     S
C405   C434    1.450   .     S
C405   C406    1.420   .     S
C406   C408    1.437   .     S
C408   C409    1.429   .     S
C409   C411    1.426   .     S
C411   C434    1.438   .     S
C412   C432    1.398   .     S
C412   C458    1.423   .     S
C428   C435    1.457   .     S
C432   C433    1.484   .     S
C433   C446    1.444   .     S
C434   C450    1.465   .     S
C435   C462    1.419   .     S
C457   C365    1.439   1_565 S
N100   C473    1.381   .     S
N100   C472    1.310   .     S
N101   C605    1.364   .     S
N101   C472    1.328   .     S
N102   C473    1.318   .     S
N102   C605    1.348   .     S
C472   C568    1.444   .     S
C473   C571    1.475   .     S
C519   C520    1.411   .     S
C519   C595    1.404   .     S
C519   H296    1.118   .     S
C520   H298    1.102   .     S
C520   C571    1.448   .     S
C521   C571    1.447   .     S
C521   C522    1.416   .     S
C521   H299    0.996   .     S
C522   H301    1.090   .     S
C522   C595    1.425   .     S
C523   C524    1.419   .     S
C523   H303    1.098   .     S
C523   C588    1.435   .     S
C524   H305    1.085   .     S
C526   C588    1.448   .     S
C526   H308    1.104   .     S
C545   H347    1.101   .     S
C545   C546    1.432   .     S
C545   C573    1.414   .     S
C546   H348    1.080   .     S
C546   C568    1.451   .     S
C547   C548    1.379   .     S
C547   C568    1.425   .     S
C547   H350    1.054   .     S
C548   H352    1.136   .     S
C548   C573    1.461   .     S
C549   C582    1.429   .     S
C549   C550    1.388   .     S
C549   H354    1.151   .     S
C550   C551    1.410   .     S
C550   H356    1.105   .     S
C551   C552    1.449   .     S
C551   H357    1.125   .     S
C552   C553    1.415   .     S
C552   H359    1.069   .     S
C553   H361    1.048   .     S
C553   C582    1.381   .     S
H311   C605    1.089   .     S
C573   C582    1.456   .     S
C588   C595    1.432   .     S
H394   C674    1.077   .     S
H397   C640    1.112   .     S
H398   C657    1.111   .     S
H399   C663    1.071   .     S
H401   C627    1.121   .     S
H434   C670    1.094   .     S
H437   C675    1.113   .     S
H438   C677    1.066   .     S
C627   C694    1.464   .     S
C627   C672    1.436   .     S
C640   C689    1.421   .     S
C640   C665    1.390   .     S
C657   C663    1.415   .     S
C657   C694    1.459   .     S
C663   C691    1.442   .     S
C665   H396    1.087   1_565 S
C665   C699    1.413   .     S
C672   C691    1.444   .     S
C674   C689    1.428   .     S
C674   C678    1.413   .     S
C675   C677    1.442   .     S
C689   C694    1.424   .     S
C745   H463    1.150   .     S
C745   C773    1.433   .     S
C747   C748    1.472   .     S
C747   H466    1.097   .     S
C748   C773    1.395   .     S
C748   H468    1.134   .     S
H444   C784    1.114   1_554 S
C764   C773    1.402   .     S
N139   C789    1.324   .     S
N139   C790    1.310   .     S
N140   C787    1.352   .     S
N140   C789    1.326   .     S
N141   C787    1.374   .     S
N141   C790    1.338   .     S
N142   C788    1.341   .     S
N142   C791    1.334   .     S
N143   C860    1.298   .     S
N143   C788    1.348   .     S
N144   C791    1.317   .     S
N144   C860    1.311   .     S
N145   C858    1.352   .     S
N145   C792    1.367   .     S
N146   C792    1.303   .     S
N146   C857    1.378   .     S
N147   C858    1.316   .     S
N147   C857    1.378   .     S
C787   C847    1.402   .     S
C788   C845    1.433   .     S
C789   C839    1.444   .     S
C790   C838    1.442   .     S
C791   C848    1.410   .     S
C792   C850    1.435   .     S
C796   C797    1.424   .     S
C796   C849    1.420   .     S
C796   H509    1.079   .     S
C797   C847    1.407   .     S
C797   H530    1.090   .     S
C798   C847    1.425   .     S
C798   H505    1.095   .     S
C798   C799    1.406   .     S
C799   H514    1.129   .     S
C799   C849    1.402   .     S
C800   C801    1.401   .     S
C800   H525    1.151   .     S
C800   C843    1.434   .     S
C801   H537    1.068   .     S
C801   C850    1.413   .     S
C802   H497    1.144   .     S
C802   C850    1.394   .     S
C802   C803    1.409   .     S
C803   H503    1.094   .     S
C803   C843    1.417   .     S
C804   H507    1.093   .     S
C804   C805    1.435   .     S
C804   C854    1.432   .     S
C805   H511    1.149   .     S
C805   C839    1.423   .     S
C806   H516    1.098   .     S
C806   C807    1.444   .     S
C806   C839    1.463   .     S
C807   H519    1.070   .     S
C807   C854    1.410   .     S
C808   C852    1.424   .     S
C808   C809    1.450   .     S
C808   H523    1.105   .     S
C809   C845    1.399   .     S
C809   H527    1.067   .     S
C810   H532    1.188   .     S
C810   C811    1.428   .     S
C810   C845    1.442   .     S
C811   C852    1.428   .     S
C811   H538    1.124   .     S
C812   H493    1.143   .     S
C812   C813    1.438   .     S
C812   C855    1.446   .     S
C813   C840    1.459   .     S
C814   C844    1.416   .     S
C814   C815    1.424   .     S
C814   H498    1.094   .     S
C815   H501    1.080   .     S
C815   C838    1.407   .     S
C816   H504    1.090   .     S
C816   C836    1.421   .     S
C816   C840    1.450   .     S
C817   C835    1.449   .     S
C817   C838    1.416   .     S
C817   H535    1.070   .     S
C823   H515    1.108   .     S
C823   C853    1.455   .     S
C823   C824    1.450   .     S
C824   H517    1.067   .     S
C824   C848    1.464   .     S
C825   C826    1.474   .     S
C825   H518    1.092   .     S
C825   C848    1.456   .     S
C826   C853    1.410   .     S
C826   H520    1.136   .     S
C835   H539    1.098   .     S
C835   C844    1.471   .     S
C836   H500    1.129   .     S
C836   C855    1.431   .     S
H494   C860    1.140   .     S
H496   C858    1.068   .     S
H499   C857    1.168   .     S
H506   C818    1.081   1_655 S
C843   C849    1.416   .     S
C844   C855    1.405   .     S
C852   C854    1.426   .     S
C853   C841    1.483   1_655 S
N154   C866    1.338   .     S
N154   C864    1.357   .     S
N155   C862    1.330   .     S
N155   C864    1.367   .     S
N156   C866    1.371   .     S
N156   C862    1.349   .     S
N163   C872    1.356   .     S
N163   C871    1.341   .     S
N164   C871    1.356   .     S
N164   C974    1.338   .     S
N165   C872    1.366   .     S
N165   C974    1.359   .     S
N166   C975    1.334   .     S
N166   C873    1.361   .     S
N167   C873    1.336   .     S
N167   C977    1.325   .     S
N168   C975    1.324   .     S
N168   C977    1.324   .     S
C862   C960    1.480   .     S
C864   C966    1.398   .     S
C866   C952    1.428   .     S
C871   C951    1.495   .     S
C872   C967    1.389   .     S
C873   C965    1.423   .     S
C885   C953    1.408   .     S
C885   H583    1.077   .     S
C885   C886    1.451   .     S
C886   H592    1.098   .     S
C886   C952    1.430   .     S
C887   C888    1.380   .     S
C887   H607    1.066   .     S
C887   C952    1.398   .     S
C888   H541    1.136   .     S
C888   C953    1.449   .     S
C889   H545    1.115   .     S
C889   C890    1.402   .     S
C889   C970    1.369   .     S
C890   H548    1.092   .     S
C890   C967    1.452   .     S
C891   H553    1.067   .     S
C891   C967    1.472   .     S
C891   C892    1.425   .     S
C892   H557    1.126   .     S
C892   C970    1.438   .     S
C893   C920    1.446   .     S
C893   C955    1.428   .     S
C893   H567    1.101   .     S
C904   C905    1.392   .     S
C904   C971    1.427   .     S
C904   H542    1.105   .     S
C905   H543    1.062   1_565 S
C905   C968    1.404   1_565 S
C906   C907    1.402   .     S
C906   H544    1.093   .     S
C906   C968    1.463   1_565 S
C907   H546    1.118   .     S
C907   C971    1.472   .     S
C908   C947    1.426   .     S
C908   H547    1.080   .     S
C908   C909    1.425   .     S
C909   H549    1.117   .     S
C909   C960    1.435   .     S
C910   C960    1.448   .     S
C910   H550    1.117   .     S
C910   C911    1.412   .     S
C911   H552    1.127   .     S
C911   C947    1.410   .     S
C912   C972    1.430   .     S
C912   C913    1.435   .     S
C913   H556    1.087   .     S
C913   C965    1.390   .     S
C914   C915    1.370   .     S
C914   H558    1.082   .     S
C914   C965    1.416   .     S
C915   C972    1.409   .     S
C915   H559    1.095   .     S
C920   H571    1.078   .     S
C920   C957    1.405   1_554 S
C933   H593    1.084   .     S
C933   C934    1.396   .     S
C933   C956    1.431   .     S
C934   H595    1.109   .     S
C934   C951    1.443   .     S
C935   H596    1.097   .     S
C935   C951    1.439   .     S
C935   C936    1.463   .     S
C936   H598    1.044   .     S
C936   C956    1.447   .     S
C940   H611    1.090   .     S
C940   C966    1.416   .     S
C940   C941    1.468   .     S
C941   H551    1.088   .     S
C941   C943    1.423   1_554 S
H566   C975    1.166   .     S
H569   C974    1.068   .     S
H570   C977    1.093   .     S
C946   C956    1.423   .     S
C947   C971    1.434   .     S
C953   C970    1.458   .     S
C955   C883    1.442   1_554 S
C966   C938    1.464   1_554 S
N184   C988    1.334   .     S
N184   C990    1.336   .     S
N185   C988    1.385   .     S
N185   C989    1.319   .     S
N186   C989    1.374   .     S
N186   C990    1.354   .     S
N191   C993    1.398   .     S
N191   C994    1.363   .     S
N192   C994    1.356   .     S
N192   C995    1.387   1_655 S
C988   C1138   1.405   .     S
C989   C1121   1.427   .     S
C993   C1137   1.471   .     S
C993   N190    1.327   1_655 S
C994   C1111   1.435   .     S
C1001  C1082   1.455   .     S
C1001  H710    1.124   .     S
C1001  C1121   1.418   .     S
C1002  C1121   1.411   .     S
C1002  C1003   1.466   .     S
C1002  H701    1.118   .     S
C1003  H620    1.072   .     S
C1003  C1122   1.426   .     S
C1006  C1127   1.441   .     S
C1006  H678    1.100   .     S
C1007  H615    1.140   .     S
C1007  C1106   1.452   .     S
C1007  C1008   1.381   .     S
C1008  H625    1.141   .     S
C1008  C1138   1.437   .     S
C1009  C1138   1.438   .     S
C1009  C1010   1.405   .     S
C1010  C1106   1.392   .     S
C1013  C1014   1.423   .     S
C1013  H685    1.083   .     S
C1014  C1117   1.436   .     S
C1014  H696    1.101   .     S
C1020  C1111   1.440   .     S
C1020  H630    1.058   .     S
C1021  H634    1.071   .     S
C1021  C1111   1.441   .     S
C1044  H655    1.117   .     S
C1044  C1127   1.428   .     S
C1064  C1103   1.430   .     S
C1064  H657    1.098   .     S
C1064  C1065   1.463   .     S
C1065  H658    1.077   .     S
C1065  C1137   1.477   .     S
C1066  C1137   1.402   .     S
C1066  C1067   1.426   .     S
C1066  H660    1.109   1_655 S
C1067  H662    1.122   .     S
C1067  C1103   1.439   .     S
C1082  C1122   1.465   .     S
C1082  H691    1.089   .     S
C1103  C1114   1.457   1_554 S
C1106  C1117   1.413   .     S
C1122  C1127   1.460   .     S
H739   C1224   1.077   .     S
H746   C1168   1.114   .     S
H766   C1195   1.030   .     S
H767   C1196   1.092   .     S
H768   C1198   1.064   .     S
H769   C1200   1.073   .     S
H770   C1202   1.076   .     S
H771   C1204   1.129   .     S
H772   C1206   1.067   .     S
H773   C1208   1.108   .     S
H774   C1169   1.107   .     S
H775   C1167   1.146   .     S
H778   C1218   1.083   .     S
H779   C1219   1.110   .     S
H782   C1223   1.123   .     S
H783   C1225   1.047   .     S
H784   C1227   1.062   .     S
N203   C1160   1.354   .     S
N203   C1150   1.370   .     S
N204   C1168   1.364   .     S
N204   C1160   1.366   .     S
N205   C1168   1.343   .     S
N205   C1150   1.344   .     S
N210   C1154   1.368   .     S
N217   C1169   1.370   .     S
N217   C1167   1.383   .     S
N219   C1167   1.362   .     S
N219   C1161   1.380   .     S
N220   C1161   1.374   .     S
N220   C1169   1.351   .     S
C1150  C1253   1.438   .     S
C1154  C1238   1.409   .     S
C1160  C1252   1.445   .     S
C1161  C1244   1.380   .     S
C1195  C1234   1.418   .     S
C1195  C1196   1.444   .     S
C1196  C1252   1.399   .     S
C1198  C1252   1.451   .     S
C1198  C1200   1.453   .     S
C1200  C1234   1.412   .     S
C1202  C1250   1.490   .     S
C1202  C1204   1.400   .     S
C1204  C1244   1.410   .     S
C1206  C1208   1.390   .     S
C1206  C1244   1.412   .     S
C1208  C1250   1.493   .     S
C1218  C1219   1.430   .     S
C1218  C1238   1.441   .     S
C1219  C1243   1.410   .     S
C1220  C1222   1.445   .     S
C1220  C1254   1.424   .     S
C1222  C1223   1.438   .     S
C1223  C1225   1.406   .     S
C1224  C1253   1.441   .     S
C1225  C1227   1.401   .     S
C1227  C1254   1.397   .     S
C1234  C1250   1.435   .     S
C1243  C1254   1.408   .     S
C1270  H810    1.126   .     S
C1270  C1356   1.427   .     S
C1288  C1364   1.428   .     S
C1288  H785    1.089   .     S
C1288  C1298   1.438   .     S
C1298  H789    1.085   .     S
C1298  C1345   1.419   .     S
C1313  H815    1.114   .     S
C1313  C1314   1.412   .     S
C1314  H817    1.083   .     S
C1314  C1315   1.402   .     S
C1315  H818    1.099   .     S
C1322  H828    1.099   .     S
C1322  C1323   1.433   .     S
C1322  C1368   1.451   .     S
C1323  C1324   1.439   .     S
C1323  H830    1.135   .     S
C1324  C1325   1.434   .     S
C1324  H831    1.123   .     S
C1325  C1326   1.445   .     S
C1325  H833    1.107   .     S
C1326  H835    1.081   .     S
C1326  C1368   1.423   .     S
H822   C1318   1.119   1_655 S
C1355  C1368   1.455   .     S
C1355  C1321   1.406   1_655 S
C1355  C1318   1.423   1_655 S
C1356  C1364   1.432   .     S
C1364  C1269   1.420   .     S
N256   C1458   1.310   .     S
N256   C1454   1.355   .     S
N257   C1456   1.352   .     S
N257   C1454   1.352   .     S
N258   C1456   1.350   .     S
N258   C1458   1.379   .     S
N259   C1460   1.323   .     S
N259   C1541   1.346   .     S
N260   C1459   1.329   .     S
N260   C1541   1.380   .     S
N261   C1459   1.309   .     S
N261   C1460   1.315   .     S
N262   C1539   1.328   .     S
N262   C1461   1.366   .     S
N263   C1538   1.301   .     S
N263   C1461   1.378   .     S
N264   C1539   1.345   .     S
N264   C1538   1.338   .     S
N268   C1542   1.369   .     S
N269   C1463   1.303   .     S
N270   C1542   1.355   .     S
N270   C1463   1.327   .     S
C1454  C1527   1.421   .     S
C1456  C1534   1.434   .     S
C1458  C1526   1.433   .     S
C1459  C1532   1.446   .     S
C1460  C1535   1.396   .     S
C1461  C1514   1.424   .     S
C1463  C1513   1.506   .     S
C1464  C1534   1.459   .     S
C1464  C1465   1.380   .     S
C1464  H916    1.051   .     S
C1465  H960    1.136   .     S
C1465  C1525   1.441   .     S
C1466  H949    1.108   .     S
C1466  C1467   1.421   .     S
C1466  C1515   1.421   .     S
C1467  H928    1.130   .     S
C1467  C1535   1.466   .     S
C1468  C1469   1.444   .     S
C1468  H911    1.086   .     S
C1468  C1535   1.479   .     S
C1469  C1515   1.411   .     S
C1469  H920    1.122   .     S
C1470  H933    1.080   .     S
C1470  C1471   1.428   .     S
C1470  C1530   1.447   .     S
C1471  C1527   1.435   .     S
C1471  H941    1.116   .     S
C1472  H965    1.078   .     S
C1472  C1527   1.411   .     S
C1472  C1473   1.422   .     S
C1473  H913    1.122   .     S
C1473  C1530   1.429   .     S
C1486  C1526   1.428   .     S
C1486  H915    1.118   .     S
C1486  C1487   1.445   1_655 S
C1493  C1494   1.409   .     S
C1493  H927    1.098   .     S
C1493  C1523   1.408   .     S
C1494  C1514   1.495   .     S
C1494  H929    1.153   .     S
C1495  H931    1.067   .     S
C1495  C1496   1.372   .     S
C1495  C1514   1.469   .     S
C1496  C1523   1.416   .     S
C1496  H932    1.081   .     S
C1497  C1518   1.454   .     S
C1497  H934    1.143   .     S
C1497  C1498   1.419   .     S
C1498  H936    1.046   .     S
C1498  C1532   1.452   .     S
C1499  H937    1.108   .     S
C1499  C1500   1.422   .     S
C1499  C1532   1.407   .     S
C1500  H939    1.161   .     S
C1500  C1518   1.430   .     S
C1501  C1529   1.458   .     S
C1501  H940    1.123   .     S
C1501  C1502   1.454   .     S
C1502  H942    1.121   .     S
C1502  C1524   1.407   1_554 S
C1503  C1504   1.399   .     S
C1503  H944    1.105   1_554 S
C1503  C1524   1.472   1_554 S
C1504  H945    1.062   .     S
C1504  C1529   1.444   .     S
C1505  H947    1.075   .     S
C1505  C1517   1.417   .     S
C1505  C1506   1.432   .     S
C1506  C1513   1.410   .     S
C1506  H948    1.077   .     S
C1507  H950    1.096   .     S
C1507  C1513   1.403   .     S
C1507  C1508   1.455   .     S
C1508  H951    1.080   .     S
C1508  C1517   1.427   .     S
C1509  H959    1.058   .     S
C1509  C1512   1.400   .     S
C1509  C1534   1.432   .     S
C1512  C1525   1.430   .     S
C1512  H966    1.065   1_554 S
H914   C1485   1.128   1_655 S
H952   C1539   1.109   .     S
H954   C1541   1.081   .     S
H955   C1538   1.118   .     S
H956   C1482   1.070   1_554 S
H963   C1542   1.089   .     S
C1515  C1530   1.462   .     S
C1517  C1529   1.415   .     S
C1518  C1523   1.403   .     S
C1525  C1531   1.418   1_554 S
C1526  C1485   1.394   1_655 S
C1633  C1687   1.420   .     S
C1633  H1021   1.130   .     S
C1633  C1634   1.457   1_554 S
C1636  C1687   1.412   .     S
C1636  H1026   1.094   .     S
C1636  C1635   1.414   1_554 S
C1637  C1638   1.435   .     S
C1637  C1703   1.467   .     S
C1637  H1028   1.144   .     S
C1638  H1030   1.149   .     S
C1638  C1639   1.395   .     S
C1639  H1032   1.104   .     S
C1639  C1640   1.430   .     S
C1640  H1034   1.085   .     S
C1640  C1641   1.432   .     S
C1641  H1035   1.062   .     S
C1641  C1703   1.437   .     S
C1687  C1703   1.472   .     S
N13    C4      1.343   .     S
N13    C15     1.364   .     S
N14    C4      1.305   .     S
N14    C5      1.344   .     S
N15    C5      1.336   .     S
N15    C15     1.356   .     S
C4     H38     1.140   .     S
C5     H41     1.069   .     S
H23    C68     1.094   .     S
H24    C46     1.098   .     S
C15    C73     1.438   .     S
C46    C64     1.403   .     S
C46    C73     1.460   .     S
C64    C88     1.427   1_556 S
C64    H25     1.111   1_556 S
C65    C68     1.421   .     S
C65    H22     1.056   1_556 S
C65    C88     1.444   1_556 S
C68    C73     1.441   .     S
N22    C97     1.373   .     S
N22    C95     1.314   .     S
N23    C95     1.305   .     S
N23    C111    1.346   .     S
N24    C97     1.365   .     S
N24    C111    1.338   .     S
N37    C104    1.351   .     S
N37    C106    1.334   .     S
N38    C105    1.303   .     S
N38    C104    1.352   .     S
N39    C106    1.367   .     S
N39    C105    1.388   .     S
C95    C200    1.467   .     S
C97    C195    1.432   .     S
C104   C215    1.477   .     S
C105   C212    1.484   .     S
C106   C196    1.389   .     S
C111   C220    1.411   .     S
C115   C126    1.423   .     S
C115   H73     1.110   .     S
C115   C225    1.420   .     S
C126   H119    1.107   .     S
C126   C200    1.405   .     S
C136   H126    1.082   .     S
C136   C137    1.395   .     S
C136   C221    1.461   .     S
C137   H130    1.111   .     S
C137   C212    1.430   .     S
C138   H134    1.130   .     S
C138   C139    1.375   .     S
C138   C212    1.401   .     S
C139   C221    1.414   .     S
C139   H138    1.134   .     S
C140   C141    1.407   .     S
C140   H142    1.051   .     S
C140   C204    1.431   .     S
C141   H58     1.034   .     S
C141   C195    1.385   .     S
C142   C195    1.444   .     S
C142   H60     1.124   .     S
C142   C143    1.408   .     S
C143   H61     1.102   .     S
C143   C204    1.469   .     S
C144   H63     1.110   .     S
C144   C146    1.432   .     S
C144   C200    1.407   .     S
C145   C229    1.436   .     S
C145   C172    1.451   .     S
C145   H64     1.093   .     S
C146   H112    1.080   .     S
C146   C225    1.522   .     S
C153   C196    1.432   .     S
C153   H76     1.109   .     S
C153   C154    1.434   1_545 S
C155   C201    1.458   .     S
C155   H80     1.095   .     S
C155   C156    1.435   .     S
C158   C159    1.437   .     S
C158   H84     1.107   .     S
C158   C157    1.393   .     S
C159   H86     1.142   .     S
C159   C201    1.427   .     S
C162   C163    1.399   .     S
C162   H91     1.131   .     S
C162   C208    1.418   .     S
C163   C217    1.430   .     S
C163   H92     1.086   .     S
C172   H111    1.094   .     S
C172   C220    1.421   .     S
C173   H114    1.089   .     S
C173   C220    1.446   .     S
C173   C175    1.485   .     S
C175   C229    1.421   .     S
C175   H145    1.124   .     S
C186   C215    1.430   .     S
C186   H133    1.148   .     S
C187   C188    1.426   .     S
C187   C215    1.385   .     S
C187   H135    1.154   .     S
C188   H137    1.152   .     S
H74    C152    1.144   1_545 S
H93    C193    1.162   .     S
H146   C174    1.154   .     S
C196   C152    1.474   1_545 S
C201   C217    1.481   .     S
C204   C221    1.442   .     S
C213   C229    1.472   .     S
C213   C114    1.402   .     S
C213   C135    1.449   1_545 S
C217   C160    1.392   .     S
N88    C351    1.333   .     S
N88    C366    1.317   .     S
N89    C352    1.364   .     S
N89    C351    1.311   .     S
N90    C366    1.340   .     S
N90    C352    1.330   .     S
C351   H284    1.106   .     S
C352   H285    1.163   .     S
H276   C414    1.066   .     S
H277   C416    1.053   .     S
C366   C439    1.376   .     S
C414   C439    1.462   .     S
C414   C413    1.445   .     S
C416   C418    1.416   .     S
C416   C439    1.413   .     S
C418   H278    1.122   1_556 S
C418   C444    1.439   .     S
N103   C474    1.393   .     S
N103   C606    1.404   .     S
N105   C606    1.358   .     S
N105   C475    1.311   1_545 S
C474   C589    1.442   .     S
C474   N104    1.332   1_545 S
C493   C589    1.418   .     S
C493   H375    1.054   .     S
C493   C494    1.454   .     S
C494   H289    1.093   .     S
H313   C606    1.054   .     S
H334   C602    1.098   1_556 S
C589   C492    1.383   1_545 S
H377   C617    1.113   .     S
C617   N115    1.390   .     S
N172   C875    1.371   .     S
N172   C973    1.280   .     S
N173   C976    1.360   .     S
N173   C973    1.364   .     S
N174   C976    1.359   .     S
N174   C875    1.396   .     S
C875   C963    1.438   .     S
C925   C926    1.412   .     S
C925   H579    1.132   1_545 S
C925   C969    1.443   1_545 S
C926   H581    1.087   .     S
C926   C963    1.385   .     S
H604   C973    1.103   .     S
H606   C976    1.137   .     S
C963   C927    1.385   1_556 S
H722   C1193   1.123   .     S
H737   C1170   1.096   .     S
H759   C1181   1.104   .     S
H760   C1183   1.088   .     S
H761   C1185   1.067   .     S
H762   C1186   1.104   .     S
H763   C1188   1.114   .     S
H764   C1190   1.065   .     S
N216   C1159   1.365   .     S
N216   C1162   1.402   .     S
N218   C1170   1.348   .     S
N218   C1159   1.339   .     S
N221   C1170   1.383   .     S
N221   C1162   1.370   .     S
C1159  C1228   1.441   .     S
C1162  C1233   1.417   .     S
C1181  C1183   1.420   .     S
C1181  C1251   1.440   1_556 S
C1183  C1239   1.409   .     S
C1185  C1230   1.450   .     S
C1185  C1186   1.472   .     S
C1186  C1233   1.432   .     S
C1188  C1233   1.474   .     S
C1188  C1190   1.430   .     S
C1190  C1230   1.412   .     S
C1230  C1239   1.433   .     S
C1239  C1177   1.445   1_556 S
N242   C1381   1.334   .     S
N242   C1382   1.333   1_545 S
N244   C1449   1.336   .     S
N244   C1384   1.368   .     S
N245   C1451   1.370   .     S
N245   C1449   1.369   .     S
N246   C1451   1.317   .     S
N246   C1384   1.374   .     S
C1384  C1434   1.447   .     S
C1412  H876    1.099   .     S
C1412  C1434   1.394   .     S
C1412  C1391   1.492   .     S
H885   C1449   1.072   .     S
H890   C1389   1.054   .     S
H892   C1398   1.078   1_545 S
H900   C1451   1.052   .     S
C1434  C1402   1.428   .     S
C1599  H1066   1.141   .     S
C1599  C1690   1.451   1_556 S
C1599  C1600   1.438   .     S
H1042  C1708   1.094   .     S
N28    C100    1.334   .     S
N28    C99     1.353   .     S
N29    C233    1.348   .     S
N29    C99     1.349   .     S
N30    C233    1.367   .     S
N30    C100    1.371   .     S
C99    C208    1.388   .     S
C100   C226    1.449   .     S
C112   H102    1.138   .     S
C112   C226    1.392   .     S
C112   C113    1.467   .     S
C113   C218    1.413   .     S
C113   H75     1.172   .     S
C114   H124    1.045   .     S
C114   C116    1.485   1_545 S
C160   C161    1.428   .     S
C160   H88     1.141   .     S
C161   C208    1.438   .     S
C161   H89     1.084   .     S
C174   C193    1.472   .     S
C174   C218    1.457   .     S
C193   C226    1.404   .     S
H148   C233    1.107   .     S
C218   C225    1.409   .     S
N52    C342    1.308   .     S
N52    C242    1.382   .     S
N53    C244    1.402   .     S
N53    C242    1.324   .     S
N54    C244    1.329   .     S
N54    C342    1.355   .     S
N67    C345    1.331   .     S
N67    C340    1.364   .     S
N68    C340    1.363   .     S
N68    C253    1.336   .     S
N69    C253    1.355   .     S
N69    C345    1.339   .     S
C242   C333    1.478   .     S
C244   C321    1.402   .     S
C253   C335    1.489   .     S
C263   H196    1.078   .     S
C263   C321    1.418   .     S
C273   C321    1.434   .     S
C273   H186    1.075   .     S
C274   C275    1.396   .     S
C274   H207    1.109   .     S
C274   C313    1.423   .     S
C275   C333    1.421   .     S
C275   H213    1.079   .     S
C276   H150    1.101   .     S
C276   C277    1.459   .     S
C276   C333    1.428   .     S
C277   C313    1.430   .     S
C277   H151    1.126   .     S
C278   H152    1.099   .     S
C278   C279    1.399   .     S
C278   C329    1.420   .     S
C279   C335    1.395   .     S
C279   H153    1.093   .     S
C280   H155    1.069   .     S
C280   C281    1.428   .     S
C280   C335    1.414   .     S
C281   C329    1.411   .     S
C281   H157    1.119   .     S
H209   C345    1.096   .     S
H210   C342    1.076   .     S
H211   C340    1.099   .     S
C313   C329    1.428   .     S
N112   C600    1.415   .     S
N112   C601    1.318   .     S
N113   C479    1.370   .     S
N113   C601    1.367   .     S
N114   C479    1.372   .     S
N114   C600    1.319   .     S
H341   C600    1.087   .     S
H343   C601    1.078   .     S
H378   C661    1.152   .     S
H379   C623    1.200   .     S
H382   C676    1.103   .     S
H383   C669    1.063   .     S
H384   C667    1.127   .     S
H408   C628    1.114   1_545 S
H409   C629    1.122   .     S
N115   C610    1.372   .     S
N124   C614    1.358   .     S
N124   C616    1.363   1_545 S
N125   C615    1.337   .     S
N125   C614    1.354   .     S
C610   C700    1.440   .     S
C614   C701    1.439   .     S
C615   N126    1.335   1_545 S
C615   C696    1.476   1_545 S
C623   C661    1.406   .     S
C623   C700    1.420   .     S
C629   C628    1.392   1_545 S
C629   C696    1.376   1_545 S
C649   C667    1.452   .     S
C649   C686    1.409   .     S
C661   C684    1.384   .     S
C667   C701    1.419   .     S
C669   C676    1.396   .     S
C669   C701    1.388   .     S
C676   C686    1.396   .     S
C684   C686    1.403   .     S
C728   H477    1.033   .     S
C728   C781    1.409   .     S
C728   C729    1.458   .     S
C729   H481    1.152   .     S
C729   C771    1.441   1_556 S
C781   C731    1.442   1_556 S
C781   C780    1.484   .     S
C1045  C1046   1.415   .     S
C1045  C1107   1.419   .     S
C1045  H624    1.159   .     S
C1046  C1047   1.456   .     S
C1046  H626    1.106   .     S
C1047  C1048   1.421   .     S
C1047  H628    1.101   .     S
C1048  H629    1.074   .     S
C1048  C1049   1.417   .     S
C1049  H631    1.129   .     S
C1049  C1107   1.438   .     S
H721   C1192   1.091   .     S
H723   C1171   1.117   .     S
H724   C1184   1.145   .     S
H725   C1217   1.100   .     S
H755   C1164   1.106   .     S
N206   C1164   1.342   .     S
C1171  C1228   1.472   .     S
C1171  C1184   1.416   .     S
C1184  C1231   1.425   .     S
C1192  C1193   1.426   .     S
C1192  C1231   1.380   .     S
C1193  C1228   1.471   .     S
C1217  C1240   1.437   .     S
C1217  C1226   1.394   1_556 S
C1231  C1240   1.455   .     S
C1240  C1197   1.421   1_556 S
N238   C1378   1.363   .     S
N238   C1267   1.349   .     S
N239   C1267   1.368   .     S
N239   C1268   1.316   .     S
N240   C1378   1.312   .     S
N240   C1268   1.359   .     S
C1267  C1363   1.434   .     S
C1268  C1372   1.434   .     S
C1299  H790    1.064   .     S
C1299  C1300   1.396   .     S
C1299  C1374   1.413   .     S
C1300  C1363   1.375   .     S
C1300  H792    1.160   .     S
C1301  H794    1.061   .     S
C1301  C1302   1.406   .     S
C1301  C1363   1.434   .     S
C1302  C1374   1.404   .     S
C1302  H796    1.059   .     S
C1303  C1304   1.428   .     S
C1303  H798    1.109   .     S
C1303  C1366   1.410   .     S
C1304  H799    1.078   1_545 S
C1304  C1350   1.431   1_545 S
C1305  H800    1.087   .     S
C1305  C1306   1.456   .     S
C1305  C1350   1.453   1_545 S
C1306  H802    1.107   .     S
C1306  C1366   1.435   .     S
C1336  C1367   1.405   .     S
C1336  C1337   1.469   .     S
C1336  H851    1.050   .     S
C1337  C1338   1.422   .     S
C1337  H853    1.080   .     S
C1338  C1339   1.401   .     S
C1338  H854    1.125   .     S
C1339  C1340   1.453   .     S
C1339  H855    1.161   .     S
C1340  H857    1.087   .     S
C1340  C1367   1.427   .     S
C1341  H859    1.068   .     S
C1341  C1376   1.403   .     S
C1341  C1342   1.394   .     S
C1342  H861    1.113   .     S
C1342  C1372   1.396   .     S
C1343  C1344   1.381   .     S
C1343  C1372   1.446   .     S
C1343  H862    1.084   .     S
C1344  H864    1.108   .     S
C1344  C1376   1.428   .     S
H803   C1378   1.139   .     S
C1366  C1374   1.465   .     S
C1367  C1376   1.422   .     S
C1381  C1446   1.432   .     S
C1381  N243    1.374   1_545 S
C1389  C1390   1.473   .     S
C1389  C1446   1.398   .     S
C1390  C1435   1.428   .     S
C1390  H868    1.097   .     S
C1391  C1442   1.431   .     S
C1391  H902    1.128   .     S
C1400  C1402   1.424   .     S
C1400  H904    1.182   .     S
C1400  C1442   1.401   .     S
C1401  H906    1.079   .     S
C1401  C1411   1.433   .     S
C1401  C1435   1.452   .     S
C1402  H879    1.124   .     S
C1411  H881    1.083   .     S
C1411  C1446   1.450   .     S
C1435  C1442   1.445   .     S
N265   C1540   1.361   .     S
N265   C1462   1.364   1_556 S
C1480  H943    1.131   .     S
C1480  C1481   1.436   .     S
C1480  C1519   1.430   1_556 S
C1481  C1533   1.412   .     S
C1481  H946    1.122   .     S
H918   C1474   1.095   .     S
H957   C1540   1.141   .     S
C1520  C1533   1.446   .     S
C1520  C1474   1.445   .     S
C1520  C1477   1.418   .     S
C1533  C1478   1.397   1_556 S
C1540  N267    1.330   1_556 S
N274   C1548   1.330   .     S
N274   C1544   1.331   .     S
N275   C1546   1.345   .     S
N275   C1544   1.318   .     S
N276   C1548   1.369   .     S
N276   C1546   1.334   .     S
N280   C1554   1.383   .     S
N280   C1552   1.333   .     S
N281   C1552   1.348   .     S
N281   C1553   1.370   .     S
N282   C1553   1.365   .     S
N282   C1554   1.357   .     S
N283   C1716   1.355   .     S
N283   C1555   1.349   .     S
N284   C1556   1.338   .     S
N284   C1555   1.325   .     S
N285   C1716   1.303   .     S
N285   C1556   1.306   .     S
N286   C1557   1.320   .     S
N286   C1708   1.344   .     S
N287   C1558   1.346   .     S
N287   C1557   1.369   .     S
N288   C1558   1.296   .     S
N288   C1708   1.337   .     S
C1544  C1666   1.462   .     S
C1546  C1670   1.388   .     S
C1548  C1676   1.456   .     S
C1552  C1701   1.425   .     S
C1553  C1672   1.436   .     S
C1554  C1684   1.419   1_545 S
C1555  C1677   1.443   .     S
C1556  C1667   1.411   .     S
C1557  C1695   1.413   .     S
C1558  C1678   1.402   .     S
C1568  C1704   1.434   .     S
C1568  H969    1.078   .     S
C1568  C1569   1.409   .     S
C1569  C1670   1.488   .     S
C1569  H991    1.198   .     S
C1570  C1571   1.427   .     S
C1570  C1670   1.441   .     S
C1570  H1022   1.075   .     S
C1571  H1058   1.117   .     S
C1571  C1704   1.434   .     S
C1572  H974    1.065   .     S
C1572  C1693   1.395   .     S
C1572  C1573   1.401   .     S
C1573  H988    1.082   .     S
C1573  C1678   1.461   .     S
C1574  H995    1.026   .     S
C1574  C1575   1.417   .     S
C1574  C1678   1.461   .     S
C1575  C1693   1.437   .     S
C1575  H1003   1.094   .     S
C1586  H993    1.081   .     S
C1586  C1688   1.410   .     S
C1586  C1587   1.460   .     S
C1587  H997    1.104   .     S
C1587  C1667   1.439   .     S
C1588  H1001   1.156   .     S
C1588  C1667   1.473   .     S
C1588  C1589   1.426   .     S
C1589  H1005   1.051   .     S
C1589  C1688   1.429   .     S
C1590  C1685   1.442   .     S
C1590  C1591   1.397   .     S
C1590  H1009   1.093   .     S
C1591  H1016   1.143   .     S
C1591  C1672   1.421   .     S
C1592  C1672   1.407   .     S
C1592  H1020   1.104   .     S
C1592  C1593   1.436   .     S
C1593  H1024   1.111   .     S
C1593  C1685   1.434   .     S
C1600  C1702   1.425   .     S
C1600  H1069   1.142   .     S
C1601  H1073   1.110   .     S
C1601  C1671   1.457   .     S
C1601  C1602   1.422   .     S
C1602  C1701   1.431   .     S
C1602  H968    1.090   .     S
C1603  H970    1.123   .     S
C1603  C1604   1.419   .     S
C1603  C1701   1.458   .     S
C1604  C1671   1.396   .     S
C1604  H972    1.090   .     S
C1609  C1694   1.433   .     S
C1609  C1610   1.437   .     S
C1609  H980    1.028   1_556 S
C1610  C1676   1.439   .     S
C1610  H981    1.088   .     S
C1611  C1676   1.450   .     S
C1611  H983    1.151   .     S
C1611  C1612   1.413   .     S
C1612  C1694   1.456   .     S
C1612  H985    1.066   .     S
C1613  C1680   1.444   .     S
C1613  H986    1.122   .     S
C1613  C1614   1.451   .     S
C1614  H987    1.121   .     S
C1614  C1669   1.390   .     S
C1615  C1669   1.412   .     S
C1615  C1616   1.465   .     S
C1615  H989    1.123   .     S
C1616  H990    1.088   .     S
C1616  C1680   1.468   .     S
C1617  H992    1.113   .     S
C1617  C1618   1.440   .     S
C1617  C1664   1.428   .     S
C1618  C1695   1.435   .     S
C1618  H994    1.107   .     S
C1619  H996    1.076   .     S
C1619  C1695   1.432   .     S
C1619  C1620   1.459   .     S
C1620  H998    1.097   .     S
C1620  C1664   1.393   .     S
C1631  H1038   1.149   .     S
C1631  C1653   1.394   .     S
C1631  C1666   1.457   .     S
C1642  C1679   1.429   .     S
C1642  C1652   1.499   .     S
C1642  H1055   1.085   .     S
C1643  H1041   1.083   .     S
C1643  C1644   1.390   .     S
C1643  C1673   1.389   .     S
C1644  C1645   1.415   .     S
C1644  H1043   1.103   .     S
C1645  H1044   1.106   .     S
C1645  C1646   1.380   .     S
C1646  H1046   1.060   .     S
C1646  C1647   1.455   .     S
C1647  H1048   1.096   .     S
C1647  C1673   1.452   .     S
C1648  C1649   1.430   .     S
C1648  C1681   1.464   .     S
C1648  H1049   1.088   .     S
C1649  C1677   1.467   .     S
C1649  H1051   1.105   .     S
C1650  H1052   1.078   .     S
C1650  C1651   1.405   .     S
C1650  C1677   1.448   .     S
C1651  C1681   1.439   .     S
C1651  H1054   1.136   .     S
C1652  C1666   1.431   .     S
C1652  H1059   1.078   .     S
C1653  H1060   1.068   .     S
C1653  C1679   1.432   .     S
H1027  C1716   1.107   .     S
H1047  C1565   1.061   .     S
C1664  C1680   1.470   .     S
C1669  C1561   1.454   1_545 S
C1671  C1702   1.476   .     S
C1673  C1681   1.452   .     S
C1679  C1674   1.396   .     S
C1685  C1688   1.466   .     S
C1693  C1704   1.458   .     S
C1694  C1686   1.459   1_556 S
C1702  C1597   1.407   1_556 S
N40    C236    1.350   .     S
N40    C238    1.358   .     S
N41    C238    1.348   .     S
N41    C107    1.350   .     S
N42    C107    1.356   .     S
N42    C236    1.330   .     S
C107   C197    1.417   .     S
C135   H121    1.070   .     S
C135   C213    1.449   1_565 S
C135   C125    1.421   .     S
C147   C216    1.469   .     S
C147   C148    1.420   .     S
C147   H66     1.089   .     S
C148   C197    1.425   .     S
C148   H68     1.109   .     S
C149   C150    1.425   .     S
C149   H69     1.093   .     S
C149   C197    1.398   .     S
C150   H70     1.100   .     S
C150   C216    1.431   .     S
C151   C152    1.405   .     S
C151   C209    1.380   .     S
C151   H72     1.097   .     S
C152   H74     1.144   1_565 S
C152   C196    1.474   1_565 S
C154   H78     1.166   .     S
C154   C209    1.434   .     S
C154   C153    1.434   1_565 S
C156   H81     1.103   .     S
C156   C157    1.446   .     S
C157   H83     1.120   .     S
H108   C236    1.099   .     S
H110   C238    1.146   .     S
C209   C216    1.437   .     S
H275   C413    1.119   .     S
H279   C420    1.095   .     S
C413   C444    1.465   .     S
C420   C454    1.441   .     S
C420   C422    1.450   1_556 S
C444   C454    1.425   .     S
C454   C425    1.432   1_556 S
N104   C475    1.334   .     S
N104   C474    1.332   1_565 S
C475   C590    1.438   .     S
C475   N105    1.311   1_565 S
C491   C492    1.399   .     S
C491   C570    1.429   1_565 S
C492   H362    1.138   .     S
C492   C589    1.383   1_565 S
C530   C531    1.424   .     S
C530   H319    1.072   .     S
C530   C598    1.438   .     S
C531   H320    1.110   .     S
C531   C590    1.453   .     S
C532   H321    1.126   .     S
C532   C590    1.394   .     S
C532   C533    1.391   .     S
C533   C598    1.446   .     S
C533   H323    1.077   .     S
C534   C535    1.465   .     S
C534   C576    1.432   .     S
C534   H325    1.138   .     S
C535   C536    1.414   .     S
C535   H327    1.089   .     S
C536   H328    1.109   .     S
C536   C537    1.457   .     S
C537   H330    1.105   .     S
C537   C538    1.469   .     S
C538   C576    1.442   .     S
C538   H332    1.092   .     S
C576   C598    1.445   .     S
N137   C786    1.320   .     S
N137   C784    1.307   .     S
N138   C786    1.344   .     S
N138   C711    1.364   .     S
H445   C786    1.139   .     S
C923   H575    1.090   .     S
C923   C924    1.455   .     S
C923   C949    1.402   1_556 S
C924   H577    1.118   .     S
C924   C958    1.402   .     S
H579   C925    1.132   1_565 S
C958   C969    1.422   .     S
C958   C921    1.425   1_556 S
C969   C925    1.443   1_565 S
C969   C928    1.436   1_566 S
C1084  H690    1.066   .     S
C1084  C1116   1.473   .     S
C1084  C1085   1.459   .     S
C1085  H692    1.103   .     S
C1085  C1086   1.436   .     S
C1089  H698    1.122   .     S
C1089  C1125   1.412   .     S
C1089  C1090   1.436   .     S
C1090  H700    1.056   .     S
C1090  C1120   1.440   .     S
C1091  C1120   1.444   .     S
C1091  H702    1.117   .     S
C1091  C1092   1.410   .     S
C1092  C1125   1.432   .     S
C1092  H704    1.089   .     S
H639   C1054   1.076   1_556 S
C1116  C1125   1.478   .     S
C1116  C1088   1.469   .     S
H827   C1269   1.084   .     S
N241   C1382   1.368   .     S
N241   C1383   1.350   .     S
N247   C1452   1.356   .     S
N247   C1385   1.351   .     S
N248   C1385   1.320   .     S
N248   C1386   1.284   .     S
N249   C1452   1.299   .     S
N249   C1386   1.353   .     S
C1382  C1437   1.408   .     S
C1382  N242    1.333   1_565 S
C1385  C1447   1.445   .     S
C1386  C1445   1.442   .     S
C1392  H866    1.095   .     S
C1392  C1438   1.465   .     S
C1392  C1393   1.413   .     S
C1393  C1447   1.461   .     S
C1393  H870    1.158   .     S
C1394  C1447   1.390   .     S
C1394  C1395   1.433   .     S
C1394  H874    1.122   .     S
C1395  C1438   1.441   .     S
C1395  H880    1.096   .     S
C1396  C1397   1.443   .     S
C1396  H883    1.129   .     S
C1396  C1432   1.441   .     S
C1397  C1437   1.452   .     S
C1397  H887    1.197   .     S
C1398  C1437   1.415   .     S
C1398  C1399   1.425   .     S
C1398  H892    1.078   1_565 S
C1399  H895    1.110   .     S
C1399  C1432   1.472   .     S
C1403  H865    1.075   .     S
C1403  C1439   1.439   .     S
C1403  C1404   1.413   .     S
C1404  H867    1.085   .     S
C1404  C1433   1.414   .     S
C1407  C1441   1.449   .     S
C1407  H872    1.116   .     S
C1407  C1408   1.388   .     S
C1408  H873    1.148   .     S
C1408  C1443   1.472   .     S
C1409  C1443   1.436   .     S
C1409  C1410   1.377   .     S
C1410  C1441   1.399   .     S
C1410  H877    1.075   .     S
C1413  C1414   1.443   .     S
C1413  H882    1.083   .     S
C1413  C1436   1.433   .     S
C1414  C1445   1.418   .     S
C1414  H884    1.134   .     S
C1415  C1445   1.469   .     S
C1415  H886    1.119   .     S
C1415  C1416   1.425   .     S
C1416  H888    1.124   .     S
C1416  C1436   1.461   .     S
C1417  C1431   1.419   .     S
C1417  C1418   1.427   .     S
C1417  H889    1.059   .     S
C1419  C1420   1.421   .     S
C1419  H893    1.107   .     S
C1419  C1418   1.367   .     S
C1420  C1421   1.407   .     S
C1420  H894    1.134   1_556 S
C1421  H896    1.116   .     S
C1421  C1431   1.433   .     S
H898   C1452   1.116   .     S
C1431  C1436   1.447   .     S
C1432  C1438   1.457   .     S
C1439  C1441   1.453   .     S
C1439  C1406   1.462   .     S
N292   C1710   1.377   .     S
N292   C1712   1.352   .     S
N293   C1560   1.297   .     S
N293   C1710   1.372   .     S
N294   C1712   1.358   .     S
N294   C1560   1.351   .     S
C1547  C1675   1.459   .     S
C1547  N271    1.339   .     S
C1547  N273    1.381   .     S
C1560  C1691   1.430   .     S
C1621  H999    1.104   .     S
C1621  C1622   1.430   .     S
C1621  C1683   1.441   .     S
C1622  H1000   1.049   .     S
C1622  C1675   1.446   .     S
C1623  H1002   1.101   .     S
C1623  C1624   1.399   .     S
C1623  C1675   1.447   .     S
C1624  H1004   1.112   .     S
C1624  C1683   1.418   .     S
C1625  C1626   1.385   .     S
C1625  H1006   1.073   .     S
C1625  C1699   1.412   .     S
C1626  H1007   1.089   .     S
C1626  C1691   1.410   .     S
C1627  C1628   1.420   .     S
C1627  C1691   1.404   .     S
C1627  H1008   1.066   .     S
C1628  C1699   1.452   .     S
C1628  H1010   1.051   .     S
H984   C1567   1.146   .     S
H1015  C1712   1.057   .     S
C1683  C1699   1.421   .     S
C1710  H1017   1.092   1_556 S
N25    C94     1.324   .     S
N25    C98     1.354   .     S
N26    C94     1.365   .     S
N26    C96     1.423   .     S
N27    C96     1.344   .     S
N27    C98     1.339   .     S
N31    C101    1.362   .     S
N31    C239    1.318   .     S
N32    C239    1.359   .     S
N32    C232    1.295   .     S
N33    C101    1.336   .     S
N33    C232    1.380   .     S
C94    C199    1.477   .     S
C96    C223    1.462   .     S
C98    C203    1.418   .     S
C101   C206    1.396   .     S
C116   H65     1.099   .     S
C116   C203    1.397   .     S
C116   C114    1.485   1_565 S
C117   H77     1.141   .     S
C117   C118    1.410   .     S
C117   C194    1.432   .     S
C118   C206    1.446   .     S
C118   H85     1.126   .     S
C119   C206    1.411   .     S
C119   H97     1.140   .     S
C119   C120    1.435   .     S
C120   H106    1.114   .     S
C120   C194    1.458   .     S
C121   C228    1.376   .     S
C121   C122    1.404   .     S
C121   H128    1.088   .     S
C122   H136    1.096   .     S
C122   C223    1.432   .     S
C123   C124    1.397   .     S
C123   C223    1.416   .     S
C123   H59     1.004   .     S
C124   H62     1.177   .     S
C124   C228    1.419   .     S
C125   C203    1.454   .     S
C125   H115    1.092   .     S
C132   C199    1.425   .     S
C132   H99     1.067   .     S
C132   C131    1.432   1_556 S
C133   H104    1.134   .     S
C133   C199    1.405   .     S
C133   C134    1.412   1_556 S
H67    C239    1.131   .     S
H71    C232    1.121   .     S
C194   C228    1.411   .     S
H395   C678    1.130   .     S
H403   C619    1.074   .     S
H404   C620    1.093   .     S
H405   C622    1.118   .     S
H406   C624    1.158   .     S
H407   C626    1.072   .     S
H410   C631    1.082   .     S
H411   C632    1.076   .     S
N126   C616    1.311   .     S
N126   C615    1.335   1_565 S
C616   C699    1.468   .     S
C616   N124    1.363   1_565 S
C619   C683    1.437   .     S
C619   C620    1.420   .     S
C620   C622    1.431   .     S
C622   C624    1.399   .     S
C624   C626    1.394   .     S
C626   C683    1.418   .     S
C628   C695    1.453   .     S
C628   H408    1.114   1_565 S
C628   C629    1.392   1_565 S
C631   C696    1.440   .     S
C631   C632    1.450   .     S
C632   C695    1.423   .     S
C678   C699    1.438   .     S
C683   C695    1.430   .     S
C696   C615    1.476   1_565 S
C696   C629    1.376   1_565 S
N136   C784    1.315   .     S
N136   C711    1.393   .     S
C711   C768    1.417   .     S
C724   H460    1.067   .     S
C724   C725    1.406   .     S
C724   C780    1.458   .     S
C725   C768    1.447   .     S
C725   H464    1.068   .     S
C726   C768    1.432   .     S
C726   C727    1.403   .     S
C726   H469    1.105   .     S
C727   C780    1.482   .     S
C727   H472    1.059   .     S
C784   H444    1.114   1_556 S
C882   H555    1.095   .     S
C882   C883    1.383   .     S
C882   C957    1.399   .     S
C883   H560    1.089   .     S
C883   C955    1.442   1_556 S
C937   H602    1.071   .     S
C937   C938    1.384   .     S
C937   C943    1.440   .     S
C938   H605    1.112   .     S
C938   C966    1.464   1_556 S
C943   C957    1.452   .     S
C943   C941    1.423   1_556 S
C957   C920    1.405   1_556 S
N199   C1000   1.354   .     S
N199   C1146   1.321   .     S
N200   C1145   1.326   .     S
N200   C1000   1.348   .     S
N201   C1145   1.317   .     S
N201   C1146   1.367   .     S
C1000  C1108   1.446   .     S
C1068  H664    1.177   .     S
C1068  C1114   1.468   .     S
C1068  C1069   1.426   .     S
C1069  C1108   1.433   .     S
C1069  H666    1.071   .     S
C1070  H667    1.084   .     S
C1070  C1108   1.393   .     S
C1070  C1071   1.458   .     S
C1071  H669    1.122   .     S
C1071  C1114   1.458   .     S
C1086  H693    1.161   .     S
C1086  C1087   1.418   .     S
C1087  H695    1.135   .     S
C1087  C1088   1.444   .     S
C1088  H697    1.082   .     S
H684   C1146   1.065   .     S
H687   C1145   1.140   .     S
C1114  C1103   1.457   1_556 S
N226   C1256   1.333   .     S
N226   C1379   1.338   .     S
N227   C1258   1.318   .     S
N227   C1256   1.378   .     S
N228   C1258   1.354   .     S
N228   C1379   1.361   .     S
N232   C1263   1.357   .     S
N232   C1377   1.331   .     S
N233   C1377   1.312   .     S
N233   C1262   1.330   .     S
N234   C1262   1.320   .     S
N234   C1263   1.329   .     S
C1256  C1365   1.477   .     S
C1258  C1345   1.449   .     S
C1262  C1359   1.434   .     S
C1263  C1350   1.428   .     S
C1269  C1308   1.418   .     S
C1276  C1357   1.389   .     S
C1276  H839    1.104   .     S
C1276  C1277   1.489   .     S
C1277  H847    1.109   .     S
C1277  C1359   1.410   .     S
C1278  C1279   1.474   .     S
C1278  C1359   1.452   .     S
C1278  H858    1.105   .     S
C1279  C1357   1.431   .     S
C1279  H787    1.108   .     S
C1280  C1360   1.417   .     S
C1280  H793    1.111   .     S
C1280  C1281   1.435   .     S
C1281  C1365   1.428   .     S
C1281  H797    1.121   .     S
C1282  C1365   1.454   .     S
C1282  H801    1.105   .     S
C1282  C1283   1.415   .     S
C1283  C1360   1.437   .     S
C1283  H805    1.108   .     S
C1308  C1345   1.406   .     S
C1308  H791    1.101   .     S
H799   C1304   1.078   1_565 S
H804   C1379   1.085   .     S
H823   C1377   1.108   .     S
C1350  C1305   1.453   1_565 S
C1350  C1304   1.431   1_565 S
C1357  C1360   1.426   .     S
N243   C1383   1.346   .     S
N243   C1381   1.374   1_565 S
C1383  C1433   1.478   .     S
C1405  C1406   1.383   .     S
C1405  H869    1.125   .     S
C1405  C1433   1.415   .     S
C1406  H871    1.106   .     S
C1418  H891    1.101   .     S
N253   C1457   1.326   .     S
N253   C1455   1.352   .     S
N254   C1455   1.386   .     S
N254   C1453   1.353   .     S
N255   C1457   1.319   .     S
N255   C1453   1.319   .     S
C1453  C1524   1.469   .     S
C1455  C1521   1.452   .     S
C1457  C1528   1.431   .     S
C1474  C1475   1.410   .     S
C1475  C1528   1.451   .     S
C1475  H922    1.117   .     S
C1476  H926    1.173   .     S
C1476  C1528   1.426   .     S
C1476  C1477   1.430   .     S
C1477  H930    1.109   .     S
C1482  C1483   1.435   .     S
C1482  C1531   1.417   .     S
C1482  H956    1.070   1_556 S
C1483  H953    1.104   .     S
C1483  C1521   1.387   .     S
C1510  C1521   1.412   .     S
C1510  C1511   1.408   .     S
C1510  H958    1.101   .     S
C1511  H962    1.098   .     S
C1511  C1531   1.435   .     S
H944   C1503   1.105   1_556 S
H966   C1512   1.065   1_556 S
C1524  C1503   1.472   1_556 S
C1524  C1502   1.407   1_556 S
C1531  C1525   1.418   1_556 S
N271   C1545   1.323   .     S
N272   C1543   1.349   .     S
N272   C1545   1.330   .     S
N273   C1543   1.353   .     S
N277   C1551   1.337   .     S
N277   C1549   1.342   .     S
N278   C1550   1.373   .     S
N278   C1549   1.312   .     S
N279   C1551   1.336   .     S
N279   C1550   1.343   .     S
N295   C1561   1.342   .     S
N295   C1714   1.335   .     S
N296   C1711   1.330   .     S
N296   C1561   1.381   .     S
N297   C1711   1.344   .     S
N297   C1714   1.319   .     S
C1543  C1705   1.422   .     S
C1545  C1665   1.444   .     S
C1549  C1682   1.465   .     S
C1550  C1696   1.429   .     S
C1551  C1700   1.442   .     S
C1561  C1669   1.454   1_565 S
C1564  H1011   1.130   .     S
C1564  C1566   1.409   .     S
C1564  C1668   1.434   .     S
C1565  C1567   1.435   .     S
C1565  C1674   1.410   .     S
C1566  H982    1.116   .     S
C1566  C1696   1.435   .     S
C1567  C1705   1.449   .     S
C1576  H1019   1.107   .     S
C1576  C1577   1.458   .     S
C1576  C1698   1.381   .     S
C1577  H1033   1.120   .     S
C1577  C1700   1.456   .     S
C1578  C1579   1.430   .     S
C1578  H1053   1.120   .     S
C1578  C1700   1.455   .     S
C1579  H1064   1.075   .     S
C1579  C1698   1.488   .     S
C1580  H967    1.097   .     S
C1580  C1581   1.453   .     S
C1580  C1706   1.427   .     S
C1581  H971    1.059   .     S
C1581  C1684   1.418   .     S
C1582  H976    1.130   .     S
C1582  C1684   1.430   .     S
C1582  C1583   1.434   .     S
C1583  C1706   1.400   .     S
C1583  H979    1.091   .     S
C1584  H1029   1.087   .     S
C1584  C1696   1.456   .     S
C1584  C1594   1.448   .     S
C1585  C1705   1.396   .     S
C1585  H1031   1.043   .     S
C1585  C1595   1.388   .     S
C1594  H1040   1.064   .     S
C1594  C1668   1.420   .     S
C1595  C1674   1.413   .     S
C1595  H1045   1.122   .     S
C1596  C1629   1.423   .     S
C1596  H1050   1.028   .     S
C1596  C1663   1.439   .     S
C1629  C1665   1.444   .     S
C1629  H1013   1.118   .     S
C1630  H1018   1.090   .     S
C1630  C1632   1.429   .     S
C1630  C1665   1.444   .     S
C1632  C1663   1.432   .     S
C1632  H1037   1.091   .     S
C1634  C1682   1.377   .     S
C1634  H1023   1.075   .     S
C1634  C1633   1.457   1_556 S
C1635  C1682   1.440   .     S
C1635  H1025   1.041   .     S
C1635  C1636   1.414   1_556 S
H1036  C1714   1.090   .     S
H1039  C1711   1.117   .     S
C1663  C1668   1.423   .     S
C1684  C1554   1.419   1_565 S
C1698  C1706   1.418   .     S
