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

data_final_frame_P4_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
N19    N     0.29829   0.34320   0.14191   0.00000  Uiso   1.00
N20    N     0.32151   0.38520   0.13294   0.00000  Uiso   1.00
N21    N     0.31131   0.35443   0.09928   0.00000  Uiso   1.00
C65    C     0.31060   0.36621   0.14935   0.00000  Uiso   1.00
C67    C     0.32108   0.37774   0.10712   0.00000  Uiso   1.00
H40    H     0.44513   0.48760   0.08277   0.00000  Uiso   1.00
H54    H     0.45890   0.40212   0.24844   0.00000  Uiso   1.00
H55    H     0.42079   0.42283   0.28196   0.00000  Uiso   1.00
H56    H     0.43309   0.46100   0.30973   0.00000  Uiso   1.00
H57    H     0.47483   0.48506   0.30106   0.00000  Uiso   1.00
H77    H     0.29173   0.31923   0.10680   0.00000  Uiso   1.00
H78    H     0.34881   0.42417   0.11722   0.00000  Uiso   1.00
H79    H     0.37435   0.44767   0.08977   0.00000  Uiso   1.00
H80    H     0.33096   0.42086   0.26349   0.00000  Uiso   1.00
H81    H     0.37232   0.38309   0.32975   0.00000  Uiso   1.00
H82    H     0.34455   0.33423   0.26288   0.00000  Uiso   1.00
H83    H     0.36159   0.45129   0.27060   0.00000  Uiso   1.00
H84    H     0.36943   0.49537   0.29049   0.00000  Uiso   1.00
H85    H     0.37690   0.45929   0.36710   0.00000  Uiso   1.00
H86    H     0.35610   0.41534   0.35050   0.00000  Uiso   1.00
H87    H     0.39720   0.34966   0.33687   0.00000  Uiso   1.00
H88    H     0.41551   0.30724   0.35686   0.00000  Uiso   1.00
H89    H     0.39367   0.26214   0.33859   0.00000  Uiso   1.00
H90    H     0.35675   0.26330   0.30446   0.00000  Uiso   1.00
H91    H     0.33672   0.30718   0.29426   0.00000  Uiso   1.00
H92    H     0.30234   0.33911   0.23768   0.00000  Uiso   1.00
H93    H     0.29502   0.33225   0.18904   0.00000  Uiso   1.00
H94    H     0.33353   0.40957   0.17182   0.00000  Uiso   1.00
H95    H     0.34547   0.41168   0.22051   0.00000  Uiso   1.00
H96    H     0.37279   0.42454   0.00052   0.00000  Uiso   1.00
H97    H     0.48691   0.45001   0.01121   0.00000  Uiso   1.00
H100   H     0.44993   0.46930   0.48366   0.00000  Uiso   1.00
H102   H     0.42548   0.47696   0.45482   0.00000  Uiso   1.00
H103   H     0.40528   0.48266   0.40830   0.00000  Uiso   1.00
H133   H     0.41660   0.45129   0.06778   0.00000  Uiso   1.00
H140   H     0.35956   0.39302   0.02260   0.00000  Uiso   1.00
H143   H     0.32657   0.37053   0.05199   0.00000  Uiso   1.00
C76    C     0.49024   0.45795   0.27111   0.00000  Uiso   1.00
C77    C     0.33605   0.37665   0.25922   0.00000  Uiso   1.00
C78    C     0.37404   0.48093   0.33070   0.00000  Uiso   1.00
C79    C     0.35627   0.42929   0.30886   0.00000  Uiso   1.00
C82    C     0.36686   0.33170   0.31297   0.00000  Uiso   1.00
C84    C     0.31317   0.37171   0.17722   0.00000  Uiso   1.00
C86    C     0.32321   0.37606   0.23439   0.00000  Uiso   1.00
C88    C     0.39096   0.43773   0.03619   0.00000  Uiso   1.00
C115   C     0.43688   0.45734   0.02956   0.00000  Uiso   1.00
C117   C     0.46084   0.46831   0.04198   0.00000  Uiso   1.00
C118   C     0.37080   0.42546   0.05289   0.00000  Uiso   1.00
C120   C     0.35430   0.40402   0.29708   0.00000  Uiso   1.00
C122   C     0.35913   0.35549   0.29874   0.00000  Uiso   1.00
C123   C     0.33556   0.39463   0.08763   0.00000  Uiso   1.00
C125   C     0.42906   0.49559   0.44564   0.00000  Uiso   1.00
C127   C     0.41878   0.49722   0.41840   0.00000  Uiso   1.00
C129   C     0.38702   0.28178   0.33183   0.00000  Uiso   1.00
C133   C     0.36542   0.47848   0.30338   0.00000  Uiso   1.00
C134   C     0.36636   0.28108   0.31252   0.00000  Uiso   1.00
C145   C     0.35464   0.30663   0.30638   0.00000  Uiso   1.00
C155   C     0.30724   0.35502   0.22402   0.00000  Uiso   1.00
C156   C     0.33975   0.40225   0.27182   0.00000  Uiso   1.00
C157   C     0.30456   0.35150   0.19604   0.00000  Uiso   1.00
C160   C     0.37007   0.45868   0.34709   0.00000  Uiso   1.00
C163   C     0.32641   0.39509   0.18652   0.00000  Uiso   1.00
C170   C     0.48418   0.43448   0.25686   0.00000  Uiso   1.00
C172   C     0.33115   0.39593   0.21539   0.00000  Uiso   1.00
C181   C     0.45974   0.42083   0.26144   0.00000  Uiso   1.00
C183   C     0.36019   0.43340   0.33686   0.00000  Uiso   1.00
C191   C     0.35884   0.45363   0.29270   0.00000  Uiso   1.00
C193   C     0.43968   0.43170   0.27794   0.00000  Uiso   1.00
C196   C     0.41449   0.45070   0.04585   0.00000  Uiso   1.00
C198   C     0.44675   0.45460   0.29416   0.00000  Uiso   1.00
C199   C     0.36670   0.43068   0.08009   0.00000  Uiso   1.00
C202   C     0.43587   0.45121   0.00191   0.00000  Uiso   1.00
C203   C     0.38964   0.32976   0.33119   0.00000  Uiso   1.00
C204   C     0.45748   0.48726   0.49445   0.00000  Uiso   1.00
C205   C     0.48566   0.46202   0.03033   0.00000  Uiso   1.00
C207   C     0.48747   0.48912   0.07998   0.00000  Uiso   1.00
C208   C     0.39051   0.43341   0.00825   0.00000  Uiso   1.00
C209   C     0.35658   0.40033   0.04243   0.00000  Uiso   1.00
C210   C     0.47061   0.46746   0.28919   0.00000  Uiso   1.00
C211   C     0.39923   0.30531   0.34150   0.00000  Uiso   1.00
C212   C     0.36272   0.38106   0.31049   0.00000  Uiso   1.00
C213   C     0.33730   0.38750   0.05976   0.00000  Uiso   1.00
C216   C     0.46206   0.48047   0.06859   0.00000  Uiso   1.00
C218   C     0.34801   0.35414   0.27256   0.00000  Uiso   1.00
C219   C     0.34888   0.41774   0.09554   0.00000  Uiso   1.00
C227   C     0.29892   0.33711   0.11558   0.00000  Uiso   1.00
N40    N     0.13541   0.49191   0.35011   0.00000  Uiso   1.00
C232   C     0.13227   0.49851   0.37676   0.00000  Uiso   1.00
H157   H     0.11445   0.49110   0.38751   0.00000  Uiso   1.00
H158   H     0.16146   0.49998   0.31981   0.00000  Uiso   1.00
N60    N     0.28735   0.42046   0.01583   0.00000  Uiso   1.00
C272   C     0.30790   0.43619   0.00794   0.00000  Uiso   1.00
H218   H     0.29184   0.45436   0.05888   0.00000  Uiso   1.00
H219   H     0.30923   0.49126   0.08386   0.00000  Uiso   1.00
H267   H     0.26084   0.38927   0.00486   0.00000  Uiso   1.00
C275   C     0.31805   0.45847   0.02341   0.00000  Uiso   1.00
C354   C     0.34094   0.47230   0.01280   0.00000  Uiso   1.00
C374   C     0.30773   0.46587   0.04891   0.00000  Uiso   1.00
C396   C     0.31838   0.48695   0.06314   0.00000  Uiso   1.00
C407   C     0.35315   0.49273   0.02885   0.00000  Uiso   1.00
N64    N     0.47292   0.42243   0.43283   0.00000  Uiso   1.00
N65    N     0.48150   0.39610   0.47179   0.00000  Uiso   1.00
N66    N     0.49880   0.44076   0.46729   0.00000  Uiso   1.00
C446   C     0.47080   0.39953   0.44712   0.00000  Uiso   1.00
C448   C     0.49548   0.41715   0.48045   0.00000  Uiso   1.00
H298   H     0.46573   0.45355   0.39148   0.00000  Uiso   1.00
H299   H     0.47692   0.48955   0.36468   0.00000  Uiso   1.00
H301   H     0.45730   0.38379   0.44124   0.00000  Uiso   1.00
C450   C     0.48766   0.44260   0.44271   0.00000  Uiso   1.00
C453   C     0.48895   0.46625   0.42747   0.00000  Uiso   1.00
C462   C     0.47675   0.47093   0.40081   0.00000  Uiso   1.00
C464   C     0.48397   0.49251   0.38449   0.00000  Uiso   1.00
N67    N     0.15881   0.29881   0.04380   0.00000  Uiso   1.00
N68    N     0.19172   0.26719   0.05295   0.00000  Uiso   1.00
N69    N     0.19022   0.30803   0.07759   0.00000  Uiso   1.00
N70    N     0.43051   0.35152   0.25699   0.00000  Uiso   1.00
N71    N     0.39760   0.31783   0.25653   0.00000  Uiso   1.00
N72    N     0.40667   0.34233   0.21719   0.00000  Uiso   1.00
N73    N     0.30140   0.04376   0.20957   0.00000  Uiso   1.00
N74    N     0.32555   0.08191   0.19599   0.00000  Uiso   1.00
N75    N     0.27865   0.08374   0.19688   0.00000  Uiso   1.00
N79    N     0.09728   0.38445   0.25826   0.00000  Uiso   1.00
N80    N     0.07556   0.38971   0.29881   0.00000  Uiso   1.00
N81    N     0.06087   0.41365   0.26247   0.00000  Uiso   1.00
C475   C     0.16964   0.27499   0.03938   0.00000  Uiso   1.00
C476   C     0.41800   0.33180   0.26855   0.00000  Uiso   1.00
C477   C     0.42660   0.35511   0.23063   0.00000  Uiso   1.00
C478   C     0.32480   0.05640   0.20475   0.00000  Uiso   1.00
C479   C     0.27800   0.05727   0.20349   0.00000  Uiso   1.00
C481   C     0.09481   0.37898   0.28399   0.00000  Uiso   1.00
H305   H     0.25706   0.21735   0.10842   0.00000  Uiso   1.00
H306   H     0.22302   0.23130   0.07706   0.00000  Uiso   1.00
H307   H     0.22789   0.31462   0.10924   0.00000  Uiso   1.00
H308   H     0.25945   0.29470   0.14388   0.00000  Uiso   1.00
H309   H     0.34646   0.17899   0.17758   0.00000  Uiso   1.00
H310   H     0.34805   0.12833   0.18105   0.00000  Uiso   1.00
H311   H     0.26040   0.13213   0.19547   0.00000  Uiso   1.00
H312   H     0.26107   0.18005   0.18288   0.00000  Uiso   1.00
H313   H     0.43694   0.37003   0.21891   0.00000  Uiso   1.00
H314   H     0.37338   0.33171   0.17771   0.00000  Uiso   1.00
H315   H     0.42209   0.32715   0.28961   0.00000  Uiso   1.00
H316   H     0.15942   0.26204   0.02576   0.00000  Uiso   1.00
H317   H     0.25734   0.05041   0.20587   0.00000  Uiso   1.00
H318   H     0.34282   0.04573   0.20711   0.00000  Uiso   1.00
H319   H     0.33649   0.22188   0.19521   0.00000  Uiso   1.00
H320   H     0.36600   0.28335   0.25058   0.00000  Uiso   1.00
H321   H     0.13146   0.40629   0.13132   0.00000  Uiso   1.00
H322   H     0.08782   0.41831   0.05674   0.00000  Uiso   1.00
H323   H     0.05061   0.44132   0.13154   0.00000  Uiso   1.00
H324   H     0.16037   0.39224   0.11255   0.00000  Uiso   1.00
H325   H     0.18394   0.35134   0.10109   0.00000  Uiso   1.00
H326   H     0.12598   0.33375   0.03827   0.00000  Uiso   1.00
H327   H     0.09977   0.37710   0.05146   0.00000  Uiso   1.00
H328   H     0.01648   0.43006   0.11432   0.00000  Uiso   1.00
H330   H     0.01360   0.43809   0.01371   0.00000  Uiso   1.00
H331   H     0.05710   0.43524   0.03708   0.00000  Uiso   1.00
H332   H     0.05991   0.45215   0.16883   0.00000  Uiso   1.00
H333   H     0.05137   0.44008   0.21854   0.00000  Uiso   1.00
H334   H     0.11520   0.38077   0.21579   0.00000  Uiso   1.00
H335   H     0.12161   0.38765   0.16846   0.00000  Uiso   1.00
H336   H     0.30404   0.28477   0.14749   0.00000  Uiso   1.00
H338   H     0.33435   0.25205   0.22506   0.00000  Uiso   1.00
H339   H     0.10863   0.36423   0.29405   0.00000  Uiso   1.00
H340   H     0.26483   0.20482   0.14666   0.00000  Uiso   1.00
H370   H     0.00918   0.41096   0.36619   0.00000  Uiso   1.00
H371   H     0.04818   0.39646   0.34076   0.00000  Uiso   1.00
H372   H     0.02480   0.44232   0.26984   0.00000  Uiso   1.00
H376   H     0.34269   0.30307   0.15423   0.00000  Uiso   1.00
C485   C     0.30296   0.09602   0.19535   0.00000  Uiso   1.00
C487   C     0.05814   0.40649   0.28747   0.00000  Uiso   1.00
C488   C     0.08102   0.40395   0.24860   0.00000  Uiso   1.00
C489   C     0.20166   0.28360   0.07222   0.00000  Uiso   1.00
C490   C     0.39305   0.32359   0.23090   0.00000  Uiso   1.00
C491   C     0.16828   0.31516   0.06358   0.00000  Uiso   1.00
C493   C     0.31956   0.25498   0.17239   0.00000  Uiso   1.00
C494   C     0.30482   0.12516   0.18925   0.00000  Uiso   1.00
C495   C     0.30206   0.20892   0.17168   0.00000  Uiso   1.00
C496   C     0.11286   0.41057   0.09157   0.00000  Uiso   1.00
C499   C     0.22352   0.27441   0.08887   0.00000  Uiso   1.00
C501   C     0.06545   0.42952   0.09209   0.00000  Uiso   1.00
C502   C     0.30434   0.18196   0.18017   0.00000  Uiso   1.00
C503   C     0.09170   0.42471   0.13530   0.00000  Uiso   1.00
C505   C     0.25793   0.25513   0.13113   0.00000  Uiso   1.00
C508   C     0.15774   0.34162   0.06713   0.00000  Uiso   1.00
C510   C     0.13054   0.38993   0.08097   0.00000  Uiso   1.00
C514   C     0.09116   0.42153   0.16383   0.00000  Uiso   1.00
C517   C     0.37398   0.30812   0.21604   0.00000  Uiso   1.00
C519   C     0.04186   0.43235   0.07717   0.00000  Uiso   1.00
C521   C     0.03650   0.41680   0.30299   0.00000  Uiso   1.00
C522   C     0.27928   0.24526   0.14881   0.00000  Uiso   1.00
C523   C     0.08283   0.41066   0.22133   0.00000  Uiso   1.00
C525   C     0.33468   0.27449   0.18801   0.00000  Uiso   1.00
C526   C     0.16740   0.35792   0.08856   0.00000  Uiso   1.00
C528   C     0.36525   0.31363   0.18942   0.00000  Uiso   1.00
C529   C     0.28012   0.16921   0.18593   0.00000  Uiso   1.00
C533   C     0.13421   0.34858   0.05234   0.00000  Uiso   1.00
C535   C     0.32894   0.16743   0.18159   0.00000  Uiso   1.00
C537   C     0.11972   0.37237   0.05976   0.00000  Uiso   1.00
C539   C     0.23293   0.29249   0.10959   0.00000  Uiso   1.00
C541   C     0.28098   0.21706   0.15492   0.00000  Uiso   1.00
C544   C     0.01706   0.43038   0.09225   0.00000  Uiso   1.00
C545   C     0.06895   0.43437   0.12108   0.00000  Uiso   1.00
C547   C     0.34175   0.27039   0.21590   0.00000  Uiso   1.00
C557   C     0.01420   0.43593   0.03460   0.00000  Uiso   1.00
C559   C     0.32881   0.13852   0.18356   0.00000  Uiso   1.00
C560   C     0.08991   0.42170   0.07832   0.00000  Uiso   1.00
C562   C     0.03888   0.43264   0.04885   0.00000  Uiso   1.00
C565   C     0.11401   0.41452   0.12012   0.00000  Uiso   1.00
C567   C     0.24885   0.28177   0.12993   0.00000  Uiso   1.00
C569   C     0.07196   0.43639   0.17954   0.00000  Uiso   1.00
C571   C     0.01043   0.41563   0.34488   0.00000  Uiso   1.00
C572   C     0.23220   0.24687   0.08944   0.00000  Uiso   1.00
C573   C     0.03307   0.40829   0.32941   0.00000  Uiso   1.00
C574   C     0.06645   0.42887   0.20621   0.00000  Uiso   1.00
C575   C     0.15316   0.38112   0.09468   0.00000  Uiso   1.00
C576   C     0.01926   0.43654   0.29193   0.00000  Uiso   1.00
C580   C     0.27936   0.14083   0.18962   0.00000  Uiso   1.00
C581   C     0.31993   0.22820   0.18168   0.00000  Uiso   1.00
C583   C     0.10430   0.39866   0.20608   0.00000  Uiso   1.00
C584   C     0.34558   0.29798   0.17577   0.00000  Uiso   1.00
C585   C     0.24920   0.23797   0.11042   0.00000  Uiso   1.00
C586   C     0.36044   0.28669   0.22989   0.00000  Uiso   1.00
C587   C     0.10655   0.40190   0.17732   0.00000  Uiso   1.00
C588   C     0.30145   0.26305   0.15336   0.00000  Uiso   1.00
H397   H     0.15501   0.48555   0.47946   0.00000  Uiso   1.00
H403   H     0.19548   0.48797   0.48001   0.00000  Uiso   1.00
H406   H     0.04242   0.46502   0.44316   0.00000  Uiso   1.00
H407   H     0.07489   0.44595   0.47666   0.00000  Uiso   1.00
H412   H     0.18522   0.44518   0.10945   0.00000  Uiso   1.00
H413   H     0.11812   0.49925   0.08876   0.00000  Uiso   1.00
H414   H     0.16552   0.45790   0.02593   0.00000  Uiso   1.00
H418   H     0.15314   0.45001   0.19320   0.00000  Uiso   1.00
H419   H     0.15920   0.44124   0.14562   0.00000  Uiso   1.00
H420   H     0.14625   0.49350   0.00428   0.00000  Uiso   1.00
H422   H     0.05113   0.48234   0.03133   0.00000  Uiso   1.00
H423   H     0.08594   0.47650   0.06505   0.00000  Uiso   1.00
H424   H     0.17313   0.40815   0.03362   0.00000  Uiso   1.00
H425   H     0.20677   0.37218   0.02195   0.00000  Uiso   1.00
H426   H     0.24906   0.36913   0.05147   0.00000  Uiso   1.00
H427   H     0.25812   0.40442   0.08558   0.00000  Uiso   1.00
H428   H     0.22950   0.44288   0.09186   0.00000  Uiso   1.00
C605   C     0.10527   0.47708   0.46975   0.00000  Uiso   1.00
C610   C     0.15121   0.47266   0.10380   0.00000  Uiso   1.00
C611   C     0.13936   0.47780   0.05542   0.00000  Uiso   1.00
C612   C     0.17796   0.44919   0.06861   0.00000  Uiso   1.00
C615   C     0.14472   0.47735   0.13144   0.00000  Uiso   1.00
C619   C     0.11916   0.48532   0.03656   0.00000  Uiso   1.00
C620   C     0.19832   0.43020   0.06141   0.00000  Uiso   1.00
C623   C     0.11779   0.47159   0.49593   0.00000  Uiso   1.00
C626   C     0.13434   0.48425   0.08322   0.00000  Uiso   1.00
C628   C     0.07987   0.46465   0.46619   0.00000  Uiso   1.00
C629   C     0.16198   0.46213   0.04807   0.00000  Uiso   1.00
C631   C     0.11346   0.49730   0.45207   0.00000  Uiso   1.00
C632   C     0.17265   0.45545   0.09574   0.00000  Uiso   1.00
C637   C     0.14148   0.49407   0.18583   0.00000  Uiso   1.00
C639   C     0.14927   0.46680   0.17899   0.00000  Uiso   1.00
C641   C     0.15033   0.45881   0.15148   0.00000  Uiso   1.00
C644   C     0.12556   0.49272   0.00931   0.00000  Uiso   1.00
C649   C     0.07083   0.48548   0.02353   0.00000  Uiso   1.00
C651   C     0.09093   0.48217   0.04433   0.00000  Uiso   1.00
C654   C     0.19374   0.40924   0.04218   0.00000  Uiso   1.00
C656   C     0.21166   0.38815   0.03817   0.00000  Uiso   1.00
C658   C     0.23406   0.38450   0.05497   0.00000  Uiso   1.00
C660   C     0.24009   0.40624   0.07296   0.00000  Uiso   1.00
C662   C     0.22370   0.42927   0.07548   0.00000  Uiso   1.00
C666   C     0.14542   0.47776   0.49794   0.00000  Uiso   1.00
C672   C     0.06130   0.47645   0.44791   0.00000  Uiso   1.00
N113   N     0.02595   0.30367   0.37708   0.00000  Uiso   1.00
N114   N     0.02818   0.34843   0.39320   0.00000  Uiso   1.00
C681   C     0.00406   0.29997   0.39195   0.00000  Uiso   1.00
C682   C     0.03702   0.32808   0.37842   0.00000  Uiso   1.00
H468   H     0.00963   0.42729   0.44254   0.00000  Uiso   1.00
H469   H     0.02249   0.39414   0.41402   0.00000  Uiso   1.00
H475   H     0.00637   0.48728   0.47534   0.00000  Uiso   1.00
H482   H     0.05744   0.33049   0.36938   0.00000  Uiso   1.00
C690   C     0.00618   0.34303   0.40781   0.00000  Uiso   1.00
C724   C     0.00773   0.38801   0.42792   0.00000  Uiso   1.00
N118   N     0.07024   0.29563   0.10444   0.00000  Uiso   1.00
N119   N     0.02768   0.31584   0.10221   0.00000  Uiso   1.00
N120   N     0.05827   0.33048   0.13458   0.00000  Uiso   1.00
N130   N     0.27845   0.20594   0.24940   0.00000  Uiso   1.00
N131   N     0.29065   0.24165   0.27523   0.00000  Uiso   1.00
N132   N     0.31044   0.20012   0.28250   0.00000  Uiso   1.00
N136   N     0.29358   0.45987   0.17827   0.00000  Uiso   1.00
N137   N     0.30629   0.49430   0.14820   0.00000  Uiso   1.00
N138   N     0.26797   0.46757   0.13985   0.00000  Uiso   1.00
C766   C     0.04525   0.29776   0.09390   0.00000  Uiso   1.00
C772   C     0.30798   0.22523   0.28833   0.00000  Uiso   1.00
C773   C     0.29450   0.19120   0.26267   0.00000  Uiso   1.00
C776   C     0.31088   0.47842   0.17036   0.00000  Uiso   1.00
C777   C     0.28507   0.48745   0.13428   0.00000  Uiso   1.00
H495   H     0.03854   0.28214   0.07967   0.00000  Uiso   1.00
H513   H     0.01033   0.44016   0.17207   0.00000  Uiso   1.00
H518   H     0.25301   0.33822   0.18976   0.00000  Uiso   1.00
H519   H     0.18973   0.28047   0.18218   0.00000  Uiso   1.00
H520   H     0.17855   0.36429   0.15438   0.00000  Uiso   1.00
H521   H     0.25203   0.31767   0.23441   0.00000  Uiso   1.00
H522   H     0.27138   0.28253   0.26622   0.00000  Uiso   1.00
H523   H     0.24505   0.22061   0.21432   0.00000  Uiso   1.00
H524   H     0.22401   0.24925   0.18499   0.00000  Uiso   1.00
H525   H     0.14098   0.34180   0.18796   0.00000  Uiso   1.00
H526   H     0.09242   0.34489   0.17158   0.00000  Uiso   1.00
H527   H     0.11787   0.28346   0.10883   0.00000  Uiso   1.00
H528   H     0.16505   0.28875   0.12492   0.00000  Uiso   1.00
H529   H     0.20246   0.39787   0.14243   0.00000  Uiso   1.00
H530   H     0.22811   0.44230   0.13617   0.00000  Uiso   1.00
H531   H     0.27538   0.42069   0.20474   0.00000  Uiso   1.00
H532   H     0.25173   0.37605   0.20912   0.00000  Uiso   1.00
H533   H     0.29659   0.17078   0.25441   0.00000  Uiso   1.00
H536   H     0.31967   0.23395   0.30452   0.00000  Uiso   1.00
H540   H     0.02019   0.40602   0.17995   0.00000  Uiso   1.00
H541   H     0.32804   0.48267   0.18296   0.00000  Uiso   1.00
H542   H     0.04896   0.36647   0.16261   0.00000  Uiso   1.00
C778   C     0.07648   0.31136   0.12618   0.00000  Uiso   1.00
C782   C     0.03475   0.33206   0.12218   0.00000  Uiso   1.00
C783   C     0.27693   0.23185   0.25618   0.00000  Uiso   1.00
C786   C     0.27214   0.45452   0.16222   0.00000  Uiso   1.00
C790   C     0.22424   0.30635   0.18697   0.00000  Uiso   1.00
C791   C     0.18274   0.32164   0.16565   0.00000  Uiso   1.00
C793   C     0.21790   0.35517   0.17336   0.00000  Uiso   1.00
C795   C     0.25920   0.25004   0.24256   0.00000  Uiso   1.00
C796   C     0.23592   0.28731   0.20555   0.00000  Uiso   1.00
C798   C     0.10095   0.31124   0.13902   0.00000  Uiso   1.00
C799   C     0.15587   0.31677   0.15642   0.00000  Uiso   1.00
C800   C     0.25405   0.43425   0.16956   0.00000  Uiso   1.00
C802   C     0.22799   0.38248   0.17307   0.00000  Uiso   1.00
C812   C     0.01798   0.35395   0.13124   0.00000  Uiso   1.00
C815   C     0.13524   0.32996   0.17083   0.00000  Uiso   1.00
C817   C     0.10728   0.32895   0.16193   0.00000  Uiso   1.00
C818   C     0.01075   0.49998   0.19395   0.00000  Uiso   1.00
C819   C     0.19873   0.30081   0.17610   0.00000  Uiso   1.00
C820   C     0.12165   0.29426   0.12807   0.00000  Uiso   1.00
C822   C     0.14947   0.29905   0.13585   0.00000  Uiso   1.00
C825   C     0.21907   0.40259   0.15571   0.00000  Uiso   1.00
C827   C     0.23127   0.42849   0.15266   0.00000  Uiso   1.00
C830   C     0.25984   0.41609   0.19117   0.00000  Uiso   1.00
C831   C     0.19173   0.34924   0.16314   0.00000  Uiso   1.00
C832   C     0.24673   0.39094   0.19411   0.00000  Uiso   1.00
C837   C     0.23327   0.33321   0.18373   0.00000  Uiso   1.00
C839   C     0.25086   0.29679   0.22872   0.00000  Uiso   1.00
C841   C     0.25871   0.27790   0.24913   0.00000  Uiso   1.00
C846   C     0.01258   0.39198   0.16215   0.00000  Uiso   1.00
C851   C     0.02857   0.37037   0.15334   0.00000  Uiso   1.00
C853   C     0.24524   0.24131   0.21973   0.00000  Uiso   1.00
C857   C     0.23379   0.25909   0.20141   0.00000  Uiso   1.00
N139   N     0.33816   0.24662   0.09641   0.00000  Uiso   1.00
N140   N     0.32237   0.28531   0.07651   0.00000  Uiso   1.00
N141   N     0.29961   0.24509   0.06944   0.00000  Uiso   1.00
N145   N     0.42889   0.00885   0.12610   0.00000  Uiso   1.00
N149   N     0.37557   0.48238   0.21622   0.00000  Uiso   1.00
N150   N     0.42117   0.48673   0.23153   0.00000  Uiso   1.00
C859   C     0.30230   0.27156   0.06518   0.00000  Uiso   1.00
C860   C     0.34036   0.27250   0.09092   0.00000  Uiso   1.00
C861   C     0.31685   0.23353   0.08558   0.00000  Uiso   1.00
C864   C     0.40386   0.00101   0.13077   0.00000  Uiso   1.00
C865   C     0.40125   0.47447   0.21669   0.00000  Uiso   1.00
H553   H     0.25644   0.12792   0.11711   0.00000  Uiso   1.00
H554   H     0.34276   0.11254   0.10765   0.00000  Uiso   1.00
H555   H     0.28736   0.05167   0.13705   0.00000  Uiso   1.00
H556   H     0.27315   0.14987   0.07455   0.00000  Uiso   1.00
H557   H     0.27850   0.19968   0.06389   0.00000  Uiso   1.00
H558   H     0.34649   0.20113   0.11775   0.00000  Uiso   1.00
H559   H     0.33892   0.15511   0.12855   0.00000  Uiso   1.00
H560   H     0.37305   0.08693   0.12504   0.00000  Uiso   1.00
H561   H     0.41087   0.05650   0.12954   0.00000  Uiso   1.00
H563   H     0.31672   0.02030   0.13104   0.00000  Uiso   1.00
H564   H     0.24362   0.04001   0.11800   0.00000  Uiso   1.00
H565   H     0.19574   0.03152   0.12909   0.00000  Uiso   1.00
H566   H     0.16604   0.06801   0.14589   0.00000  Uiso   1.00
H567   H     0.18371   0.10839   0.16284   0.00000  Uiso   1.00
H568   H     0.23295   0.11826   0.15934   0.00000  Uiso   1.00
H569   H     0.39242   0.36571   0.15325   0.00000  Uiso   1.00
H570   H     0.45486   0.31527   0.11585   0.00000  Uiso   1.00
H571   H     0.47474   0.39254   0.15384   0.00000  Uiso   1.00
H572   H     0.37714   0.35199   0.10719   0.00000  Uiso   1.00
H573   H     0.34767   0.32430   0.08076   0.00000  Uiso   1.00
H574   H     0.37818   0.25297   0.12310   0.00000  Uiso   1.00
H575   H     0.41678   0.27942   0.14171   0.00000  Uiso   1.00
H579   H     0.49115   0.33527   0.08897   0.00000  Uiso   1.00
H580   H     0.38282   0.40675   0.15084   0.00000  Uiso   1.00
H581   H     0.36961   0.44314   0.18227   0.00000  Uiso   1.00
H582   H     0.44948   0.44887   0.21543   0.00000  Uiso   1.00
H583   H     0.46280   0.41299   0.18835   0.00000  Uiso   1.00
H584   H     0.25905   0.24989   0.04104   0.00000  Uiso   1.00
H587   H     0.30257   0.32306   0.04869   0.00000  Uiso   1.00
H590   H     0.27396   0.34394   0.01489   0.00000  Uiso   1.00
H592   H     0.19619   0.31558   0.00374   0.00000  Uiso   1.00
H614   H     0.22615   0.27193   0.00977   0.00000  Uiso   1.00
C868   C     0.36105   0.28701   0.10137   0.00000  Uiso   1.00
C869   C     0.40199   0.31911   0.12392   0.00000  Uiso   1.00
C870   C     0.31358   0.20581   0.08989   0.00000  Uiso   1.00
C873   C     0.49743   0.34981   0.12944   0.00000  Uiso   1.00
C874   C     0.40751   0.45001   0.20253   0.00000  Uiso   1.00
C875   C     0.30453   0.14973   0.10215   0.00000  Uiso   1.00
C876   C     0.42485   0.40593   0.16842   0.00000  Uiso   1.00
C877   C     0.28380   0.28528   0.04799   0.00000  Uiso   1.00
C878   C     0.38455   0.02060   0.13379   0.00000  Uiso   1.00
C881   C     0.33884   0.05956   0.12830   0.00000  Uiso   1.00
C883   C     0.24918   0.30901   0.00635   0.00000  Uiso   1.00
C886   C     0.30049   0.12182   0.11024   0.00000  Uiso   1.00
C890   C     0.31730   0.07799   0.12426   0.00000  Uiso   1.00
C891   C     0.24251   0.08090   0.13657   0.00000  Uiso   1.00
C893   C     0.42148   0.33707   0.13351   0.00000  Uiso   1.00
C895   C     0.46965   0.35194   0.13652   0.00000  Uiso   1.00
C897   C     0.26932   0.08908   0.13101   0.00000  Uiso   1.00
C899   C     0.43295   0.38128   0.15410   0.00000  Uiso   1.00
C901   C     0.40173   0.28921   0.12843   0.00000  Uiso   1.00
C902   C     0.35765   0.01321   0.13594   0.00000  Uiso   1.00
C905   C     0.26994   0.32277   0.01956   0.00000  Uiso   1.00
C907   C     0.33620   0.03028   0.12872   0.00000  Uiso   1.00
C908   C     0.33001   0.19128   0.10671   0.00000  Uiso   1.00
C910   C     0.23179   0.05582   0.12925   0.00000  Uiso   1.00
C911   C     0.29224   0.19021   0.07789   0.00000  Uiso   1.00
C912   C     0.37844   0.27578   0.12056   0.00000  Uiso   1.00
C914   C     0.39737   0.41620   0.16510   0.00000  Uiso   1.00
C915   C     0.20400   0.05095   0.13288   0.00000  Uiso   1.00
C916   C     0.32671   0.16450   0.11315   0.00000  Uiso   1.00
C917   C     0.38972   0.43703   0.18471   0.00000  Uiso   1.00
C920   C     0.18725   0.07038   0.14497   0.00000  Uiso   1.00
C923   C     0.32217   0.10418   0.11317   0.00000  Uiso   1.00
C926   C     0.19763   0.09477   0.15374   0.00000  Uiso   1.00
C927   C     0.43406   0.44099   0.20150   0.00000  Uiso   1.00
C932   C     0.22573   0.09878   0.14990   0.00000  Uiso   1.00
C936   C     0.44263   0.41936   0.18605   0.00000  Uiso   1.00
C938   C     0.29065   0.07146   0.13049   0.00000  Uiso   1.00
C939   C     0.36693   0.06647   0.12832   0.00000  Uiso   1.00
C943   C     0.44935   0.33400   0.12778   0.00000  Uiso   1.00
C948   C     0.38913   0.04923   0.13068   0.00000  Uiso   1.00
C950   C     0.46097   0.37637   0.14899   0.00000  Uiso   1.00
C956   C     0.41350   0.36140   0.14679   0.00000  Uiso   1.00
C957   C     0.28609   0.31188   0.04073   0.00000  Uiso   1.00
C958   C     0.24365   0.28342   0.01708   0.00000  Uiso   1.00
C959   C     0.38109   0.33098   0.10866   0.00000  Uiso   1.00
C960   C     0.27449   0.11500   0.12060   0.00000  Uiso   1.00
C961   C     0.36298   0.31420   0.09396   0.00000  Uiso   1.00
C962   C     0.26266   0.27019   0.03467   0.00000  Uiso   1.00
C963   C     0.28764   0.16336   0.08452   0.00000  Uiso   1.00
H651   H     0.26561   0.35536   0.31537   0.00000  Uiso   1.00
H652   H     0.28321   0.43729   0.31661   0.00000  Uiso   1.00
H653   H     0.23758   0.40894   0.25319   0.00000  Uiso   1.00
H654   H     0.28689   0.42802   0.35847   0.00000  Uiso   1.00
H655   H     0.31233   0.42016   0.40070   0.00000  Uiso   1.00
H656   H     0.33423   0.37573   0.40800   0.00000  Uiso   1.00
H657   H     0.33351   0.33967   0.37153   0.00000  Uiso   1.00
H658   H     0.29857   0.34619   0.33483   0.00000  Uiso   1.00
H659   H     0.29860   0.46331   0.29649   0.00000  Uiso   1.00
H661   H     0.24505   0.48768   0.21302   0.00000  Uiso   1.00
H662   H     0.23518   0.44285   0.23808   0.00000  Uiso   1.00
H663   H     0.20257   0.38693   0.25087   0.00000  Uiso   1.00
H664   H     0.17632   0.34825   0.22886   0.00000  Uiso   1.00
H665   H     0.21161   0.29382   0.28750   0.00000  Uiso   1.00
H666   H     0.23965   0.32710   0.30339   0.00000  Uiso   1.00
H667   H     0.16313   0.23434   0.25097   0.00000  Uiso   1.00
H668   H     0.12069   0.28710   0.20886   0.00000  Uiso   1.00
H670   H     0.00753   0.49866   0.13077   0.00000  Uiso   1.00
H676   H     0.32424   0.40989   0.46758   0.00000  Uiso   1.00
H677   H     0.35221   0.44320   0.44074   0.00000  Uiso   1.00
H678   H     0.36424   0.48758   0.46120   0.00000  Uiso   1.00
N162   N     0.17799   0.27534   0.25588   0.00000  Uiso   1.00
N163   N     0.15436   0.30512   0.22701   0.00000  Uiso   1.00
N164   N     0.14281   0.25810   0.22767   0.00000  Uiso   1.00
N168   N     0.00107   0.49928   0.08819   0.00000  Uiso   1.00
C976   C     0.17250   0.29984   0.24582   0.00000  Uiso   1.00
C982   C     0.13914   0.28286   0.21994   0.00000  Uiso   1.00
C983   C     0.16398   0.25491   0.24456   0.00000  Uiso   1.00
C988   C     0.27943   0.39423   0.31728   0.00000  Uiso   1.00
C990   C     0.26184   0.42549   0.28314   0.00000  Uiso   1.00
C991   C     0.24509   0.37892   0.28432   0.00000  Uiso   1.00
C994   C     0.29528   0.38905   0.34062   0.00000  Uiso   1.00
C996   C     0.27686   0.49781   0.24020   0.00000  Uiso   1.00
C998   C     0.26739   0.45028   0.26865   0.00000  Uiso   1.00
C1000  C     0.19059   0.31946   0.25701   0.00000  Uiso   1.00
C1001  C     0.22417   0.36034   0.27837   0.00000  Uiso   1.00
C1021  C     0.32713   0.38002   0.38741   0.00000  Uiso   1.00
C1022  C     0.20969   0.31368   0.27788   0.00000  Uiso   1.00
C1024  C     0.22526   0.33466   0.28950   0.00000  Uiso   1.00
C1026  C     0.24776   0.40434   0.27190   0.00000  Uiso   1.00
C1029  C     0.32222   0.35952   0.36809   0.00000  Uiso   1.00
C1037  C     0.30458   0.36336   0.34723   0.00000  Uiso   1.00
C1043  C     0.27527   0.41999   0.30758   0.00000  Uiso   1.00
C1044  C     0.28705   0.46768   0.27871   0.00000  Uiso   1.00
C1047  C     0.26350   0.37400   0.30539   0.00000  Uiso   1.00
C1050  C     0.29061   0.49168   0.26342   0.00000  Uiso   1.00
C1056  C     0.33565   0.42670   0.47706   0.00000  Uiso   1.00
C1057  C     0.29572   0.40915   0.36092   0.00000  Uiso   1.00
C1058  C     0.34702   0.44698   0.46099   0.00000  Uiso   1.00
C1060  C     0.35765   0.47124   0.47303   0.00000  Uiso   1.00
C1061  C     0.25592   0.48098   0.23097   0.00000  Uiso   1.00
C1067  C     0.25225   0.45647   0.24508   0.00000  Uiso   1.00
C1072  C     0.31143   0.40478   0.38441   0.00000  Uiso   1.00
C1074  C     0.20450   0.36683   0.25818   0.00000  Uiso   1.00
C1083  C     0.19054   0.34653   0.24534   0.00000  Uiso   1.00
H751   H     0.04340   0.38289   0.49058   0.00000  Uiso   1.00
H752   H     0.01289   0.34347   0.49233   0.00000  Uiso   1.00
N197   N     0.28855   0.48980   0.47204   0.00000  Uiso   1.00
C1204  C     0.28419   0.49697   0.44653   0.00000  Uiso   1.00
H791   H     0.20511   0.49510   0.01738   0.00000  Uiso   1.00
H813   H     0.17654   0.38530   0.32662   0.00000  Uiso   1.00
H814   H     0.21562   0.46057   0.34817   0.00000  Uiso   1.00
H815   H     0.22920   0.38783   0.39538   0.00000  Uiso   1.00
H816   H     0.21874   0.45854   0.30222   0.00000  Uiso   1.00
H817   H     0.19843   0.47797   0.25767   0.00000  Uiso   1.00
H818   H     0.14997   0.46469   0.24598   0.00000  Uiso   1.00
H819   H     0.12385   0.43680   0.27914   0.00000  Uiso   1.00
H820   H     0.14423   0.41709   0.31887   0.00000  Uiso   1.00
H821   H     0.23884   0.41866   0.42738   0.00000  Uiso   1.00
H822   H     0.26952   0.44375   0.45782   0.00000  Uiso   1.00
H824   H     0.24561   0.47897   0.36605   0.00000  Uiso   1.00
H825   H     0.25002   0.35083   0.36729   0.00000  Uiso   1.00
H826   H     0.24855   0.30113   0.36940   0.00000  Uiso   1.00
H827   H     0.20870   0.27727   0.36134   0.00000  Uiso   1.00
H828   H     0.16218   0.30044   0.35463   0.00000  Uiso   1.00
H829   H     0.16343   0.35409   0.35970   0.00000  Uiso   1.00
C1222  C     0.19560   0.42396   0.33618   0.00000  Uiso   1.00
C1223  C     0.22631   0.42899   0.37501   0.00000  Uiso   1.00
C1224  C     0.20595   0.38463   0.36095   0.00000  Uiso   1.00
C1227  C     0.18423   0.43557   0.31264   0.00000  Uiso   1.00
C1229  C     0.26984   0.47852   0.43093   0.00000  Uiso   1.00
C1231  C     0.24075   0.44527   0.39352   0.00000  Uiso   1.00
C1234  C     0.20504   0.35550   0.36177   0.00000  Uiso   1.00
C1253  C     0.21285   0.43936   0.35227   0.00000  Uiso   1.00
C1256  C     0.22154   0.40020   0.37865   0.00000  Uiso   1.00
C1259  C     0.19174   0.39632   0.33946   0.00000  Uiso   1.00
C1260  C     0.19915   0.45263   0.29489   0.00000  Uiso   1.00
C1262  C     0.18775   0.46360   0.27131   0.00000  Uiso   1.00
C1264  C     0.16086   0.45576   0.26396   0.00000  Uiso   1.00
C1266  C     0.14544   0.43928   0.28220   0.00000  Uiso   1.00
C1268  C     0.15640   0.43010   0.30611   0.00000  Uiso   1.00
C1271  C     0.24754   0.43672   0.41955   0.00000  Uiso   1.00
C1273  C     0.26288   0.45283   0.43779   0.00000  Uiso   1.00
C1276  C     0.26709   0.48629   0.40355   0.00000  Uiso   1.00
C1278  C     0.25010   0.47106   0.38567   0.00000  Uiso   1.00
C1281  C     0.23042   0.34082   0.36594   0.00000  Uiso   1.00
C1283  C     0.23045   0.31273   0.36583   0.00000  Uiso   1.00
C1285  C     0.20602   0.29939   0.36244   0.00000  Uiso   1.00
C1287  C     0.18059   0.31259   0.35931   0.00000  Uiso   1.00
C1289  C     0.18101   0.34094   0.36004   0.00000  Uiso   1.00
H851   H     0.43099   0.42030   0.10928   0.00000  Uiso   1.00
H856   H     0.47409   0.48030   0.16924   0.00000  Uiso   1.00
H858   H     0.38351   0.49508   0.12599   0.00000  Uiso   1.00
H859   H     0.40996   0.45504   0.11268   0.00000  Uiso   1.00
H860   H     0.42144   0.38367   0.08696   0.00000  Uiso   1.00
H861   H     0.40365   0.36263   0.04658   0.00000  Uiso   1.00
H862   H     0.48162   0.36759   0.00970   0.00000  Uiso   1.00
C1343  C     0.44111   0.36718   0.02304   0.00000  Uiso   1.00
C1344  C     0.47167   0.40880   0.09457   0.00000  Uiso   1.00
C1345  C     0.46153   0.39110   0.07246   0.00000  Uiso   1.00
C1346  C     0.46340   0.44594   0.12489   0.00000  Uiso   1.00
C1348  C     0.44597   0.46618   0.13621   0.00000  Uiso   1.00
C1352  C     0.41958   0.47004   0.12700   0.00000  Uiso   1.00
C1353  C     0.42576   0.36977   0.04547   0.00000  Uiso   1.00
C1355  C     0.49162   0.44901   0.12802   0.00000  Uiso   1.00
C1356  C     0.48028   0.38404   0.05065   0.00000  Uiso   1.00
C1357  C     0.49910   0.41280   0.09719   0.00000  Uiso   1.00
C1358  C     0.46890   0.37206   0.02752   0.00000  Uiso   1.00
C1359  C     0.43505   0.38169   0.07010   0.00000  Uiso   1.00
C1361  C     0.45405   0.48302   0.15773   0.00000  Uiso   1.00
C1362  C     0.45321   0.42401   0.10956   0.00000  Uiso   1.00
C1365  C     0.40291   0.49249   0.13354   0.00000  Uiso   1.00
N229   N     0.05404   0.44102   0.39642   0.00000  Uiso   1.00
N230   N     0.08298   0.45601   0.36210   0.00000  Uiso   1.00
N231   N     0.03824   0.47183   0.36444   0.00000  Uiso   1.00
N232   N     0.34071   0.27433   0.42905   0.00000  Uiso   1.00
N233   N     0.32215   0.31460   0.44329   0.00000  Uiso   1.00
N234   N     0.29336   0.28216   0.42467   0.00000  Uiso   1.00
C1374  C     0.07779   0.44072   0.38454   0.00000  Uiso   1.00
C1375  C     0.29782   0.30623   0.43545   0.00000  Uiso   1.00
H874   H     0.18802   0.37478   0.41643   0.00000  Uiso   1.00
H875   H     0.14496   0.42179   0.47879   0.00000  Uiso   1.00
H876   H     0.21576   0.37704   0.49650   0.00000  Uiso   1.00
H877   H     0.16867   0.42421   0.39418   0.00000  Uiso   1.00
H878   H     0.12903   0.44100   0.36704   0.00000  Uiso   1.00
H879   H     0.07504   0.41484   0.43229   0.00000  Uiso   1.00
H880   H     0.11487   0.38960   0.45211   0.00000  Uiso   1.00
H885   H     0.20820   0.32619   0.42827   0.00000  Uiso   1.00
H886   H     0.24632   0.29723   0.42068   0.00000  Uiso   1.00
H887   H     0.29866   0.35786   0.45825   0.00000  Uiso   1.00
H888   H     0.25964   0.38893   0.45877   0.00000  Uiso   1.00
H935   H     0.01626   0.45809   0.39583   0.00000  Uiso   1.00
H937   H     0.06749   0.48428   0.33731   0.00000  Uiso   1.00
H938   H     0.31403   0.24605   0.41234   0.00000  Uiso   1.00
H940   H     0.36314   0.30570   0.44667   0.00000  Uiso   1.00
C1378  C     0.14412   0.40582   0.42414   0.00000  Uiso   1.00
C1383  C     0.16411   0.39904   0.44330   0.00000  Uiso   1.00
C1389  C     0.18304   0.40294   0.48956   0.00000  Uiso   1.00
C1391  C     0.27536   0.32392   0.43853   0.00000  Uiso   1.00
C1395  C     0.23022   0.36049   0.44476   0.00000  Uiso   1.00
C1396  C     0.20768   0.37740   0.45292   0.00000  Uiso   1.00
C1407  C     0.09900   0.42728   0.39717   0.00000  Uiso   1.00
C1410  C     0.22711   0.33394   0.43594   0.00000  Uiso   1.00
C1413  C     0.24947   0.31718   0.42883   0.00000  Uiso   1.00
C1416  C     0.09399   0.41390   0.42154   0.00000  Uiso   1.00
C1422  C     0.27882   0.35087   0.45003   0.00000  Uiso   1.00
C1426  C     0.20351   0.38516   0.48086   0.00000  Uiso   1.00
C1428  C     0.25649   0.36827   0.45137   0.00000  Uiso   1.00
C1430  C     0.11724   0.40190   0.43343   0.00000  Uiso   1.00
C1441  C     0.18702   0.38422   0.43529   0.00000  Uiso   1.00
C1447  C     0.14785   0.41998   0.39994   0.00000  Uiso   1.00
C1457  C     0.16294   0.41038   0.47033   0.00000  Uiso   1.00
C1458  C     0.12522   0.42977   0.38692   0.00000  Uiso   1.00
C1474  C     0.03531   0.45690   0.38562   0.00000  Uiso   1.00
C1477  C     0.34337   0.29848   0.44056   0.00000  Uiso   1.00
C1481  C     0.06212   0.46976   0.35232   0.00000  Uiso   1.00
C1482  C     0.31581   0.26590   0.42267   0.00000  Uiso   1.00
N5     N     0.86178   0.47875   0.40490   0.00000  Uiso   1.00
C2     C     0.86429   0.47880   0.37825   0.00000  Uiso   1.00
H8     H     0.86098   0.45868   0.45042   0.00000  Uiso   1.00
H26    H     0.86916   0.46065   0.36808   0.00000  Uiso   1.00
C40    C     0.85596   0.47866   0.49071   0.00000  Uiso   1.00
C58    C     0.85779   0.47834   0.46119   0.00000  Uiso   1.00
N16    N     0.53312   0.49704   0.10512   0.00000  Uiso   1.00
N17    N     0.57887   0.49702   0.11284   0.00000  Uiso   1.00
N18    N     0.56130   0.48126   0.07202   0.00000  Uiso   1.00
C64    C     0.58205   0.48712   0.08775   0.00000  Uiso   1.00
C68    C     0.53609   0.48712   0.08050   0.00000  Uiso   1.00
H47    H     0.52498   0.47543   0.30477   0.00000  Uiso   1.00
H48    H     0.50408   0.47939   0.22086   0.00000  Uiso   1.00
H49    H     0.55640   0.48132   0.32959   0.00000  Uiso   1.00
H53    H     0.50034   0.42569   0.24514   0.00000  Uiso   1.00
H62    H     0.67572   0.44909   0.02194   0.00000  Uiso   1.00
H64    H     0.75769   0.47128   0.01067   0.00000  Uiso   1.00
H65    H     0.63930   0.46138   0.02219   0.00000  Uiso   1.00
H66    H     0.59904   0.46527   0.03886   0.00000  Uiso   1.00
H67    H     0.62781   0.49563   0.11552   0.00000  Uiso   1.00
H68    H     0.67438   0.49648   0.09585   0.00000  Uiso   1.00
H98    H     0.52728   0.45699   0.03544   0.00000  Uiso   1.00
C85    C     0.69112   0.47728   0.04895   0.00000  Uiso   1.00
C87    C     0.73607   0.49328   0.04050   0.00000  Uiso   1.00
C90    C     0.71935   0.45322   0.01647   0.00000  Uiso   1.00
C96    C     0.60896   0.48416   0.07806   0.00000  Uiso   1.00
C98    C     0.66227   0.47866   0.05744   0.00000  Uiso   1.00
C116   C     0.51177   0.48247   0.06686   0.00000  Uiso   1.00
C121   C     0.51287   0.47499   0.26382   0.00000  Uiso   1.00
C126   C     0.63992   0.46853   0.04212   0.00000  Uiso   1.00
C131   C     0.61343   0.47321   0.05157   0.00000  Uiso   1.00
C138   C     0.63114   0.48949   0.09508   0.00000  Uiso   1.00
C142   C     0.65726   0.48846   0.08353   0.00000  Uiso   1.00
C150   C     0.51753   0.48664   0.23745   0.00000  Uiso   1.00
C175   C     0.71199   0.49456   0.05627   0.00000  Uiso   1.00
C195   C     0.50972   0.46843   0.04172   0.00000  Uiso   1.00
C197   C     0.52910   0.48288   0.28449   0.00000  Uiso   1.00
C200   C     0.74010   0.47144   0.02243   0.00000  Uiso   1.00
C215   C     0.69398   0.45849   0.02830   0.00000  Uiso   1.00
H178   H     0.51587   0.39811   0.00071   0.00000  Uiso   1.00
H297   H     0.51033   0.48587   0.45909   0.00000  Uiso   1.00
H303   H     0.50590   0.41507   0.49938   0.00000  Uiso   1.00
C459   C     0.50358   0.48773   0.43772   0.00000  Uiso   1.00
N76    N     0.96108   0.44167   0.01344   0.00000  Uiso   1.00
N77    N     0.94441   0.44428   0.05777   0.00000  Uiso   1.00
N78    N     0.91382   0.44556   0.02158   0.00000  Uiso   1.00
N82    N     0.88446   0.36402   0.48151   0.00000  Uiso   1.00
N83    N     0.87327   0.31937   0.49500   0.00000  Uiso   1.00
N84    N     0.88919   0.32976   0.45047   0.00000  Uiso   1.00
C480   C     0.91883   0.44664   0.04807   0.00000  Uiso   1.00
C483   C     0.88052   0.31296   0.47012   0.00000  Uiso   1.00
H329   H     0.97509   0.43772   0.09097   0.00000  Uiso   1.00
H337   H     0.90241   0.45105   0.06206   0.00000  Uiso   1.00
H358   H     0.96819   0.48283   0.33461   0.00000  Uiso   1.00
H359   H     0.90981   0.47082   0.39489   0.00000  Uiso   1.00
H360   H     0.96490   0.40510   0.37543   0.00000  Uiso   1.00
H366   H     0.92564   0.38675   0.37578   0.00000  Uiso   1.00
H367   H     0.90163   0.35015   0.40415   0.00000  Uiso   1.00
H368   H     0.89384   0.40904   0.46722   0.00000  Uiso   1.00
H369   H     0.90847   0.44488   0.43662   0.00000  Uiso   1.00
H373   H     0.97880   0.45268   0.29684   0.00000  Uiso   1.00
H375   H     0.87799   0.29256   0.46363   0.00000  Uiso   1.00
C484   C     0.96419   0.43983   0.04008   0.00000  Uiso   1.00
C486   C     0.93534   0.44183   0.00566   0.00000  Uiso   1.00
C492   C     0.89034   0.35608   0.45626   0.00000  Uiso   1.00
C511   C     0.93722   0.47906   0.36423   0.00000  Uiso   1.00
C512   C     0.93651   0.43555   0.38826   0.00000  Uiso   1.00
C513   C     0.96780   0.44163   0.34940   0.00000  Uiso   1.00
C515   C     0.99055   0.43830   0.05132   0.00000  Uiso   1.00
C518   C     0.89824   0.37654   0.43776   0.00000  Uiso   1.00
C520   C     0.92260   0.41773   0.40505   0.00000  Uiso   1.00
C524   C     0.98924   0.43227   0.33296   0.00000  Uiso   1.00
C543   C     0.92755   0.46292   0.38396   0.00000  Uiso   1.00
C546   C     0.95630   0.42570   0.37044   0.00000  Uiso   1.00
C549   C     0.95831   0.46886   0.34759   0.00000  Uiso   1.00
C551   C     0.99315   0.43605   0.07941   0.00000  Uiso   1.00
C561   C     0.91848   0.39021   0.39532   0.00000  Uiso   1.00
C563   C     0.90441   0.37057   0.41057   0.00000  Uiso   1.00
C566   C     0.89958   0.40426   0.44530   0.00000  Uiso   1.00
C568   C     0.90933   0.42449   0.42937   0.00000  Uiso   1.00
C578   C     0.99519   0.44248   0.30659   0.00000  Uiso   1.00
N112   N     0.99372   0.31958   0.40721   0.00000  Uiso   1.00
H461   H     0.91757   0.48855   0.49753   0.00000  Uiso   1.00
H463   H     0.97696   0.45876   0.44610   0.00000  Uiso   1.00
H470   H     0.95950   0.34124   0.43617   0.00000  Uiso   1.00
H471   H     0.94234   0.37633   0.46779   0.00000  Uiso   1.00
H481   H     0.99400   0.27966   0.38965   0.00000  Uiso   1.00
C701   C     0.96019   0.42778   0.47078   0.00000  Uiso   1.00
C702   C     0.95110   0.47658   0.47404   0.00000  Uiso   1.00
C707   C     0.99560   0.36211   0.42642   0.00000  Uiso   1.00
C708   C     0.97341   0.40557   0.45871   0.00000  Uiso   1.00
C722   C     0.99771   0.40965   0.44390   0.00000  Uiso   1.00
C727   C     0.97253   0.35787   0.44198   0.00000  Uiso   1.00
C729   C     0.96224   0.37887   0.45799   0.00000  Uiso   1.00
C731   C     0.96432   0.45438   0.46237   0.00000  Uiso   1.00
C736   C     0.92977   0.47025   0.49177   0.00000  Uiso   1.00
C764   C     0.94347   0.42394   0.49432   0.00000  Uiso   1.00
N127   N     0.80693   0.48033   0.14363   0.00000  Uiso   1.00
N128   N     0.81557   0.45578   0.10539   0.00000  Uiso   1.00
N129   N     0.77201   0.47233   0.11458   0.00000  Uiso   1.00
C770   C     0.78892   0.45798   0.09953   0.00000  Uiso   1.00
C771   C     0.78117   0.48244   0.13706   0.00000  Uiso   1.00
H488   H     0.91130   0.43793   0.11041   0.00000  Uiso   1.00
H491   H     0.98634   0.48700   0.26605   0.00000  Uiso   1.00
H492   H     0.95963   0.46748   0.23019   0.00000  Uiso   1.00
H493   H     0.98799   0.34638   0.10265   0.00000  Uiso   1.00
H514   H     0.96208   0.38789   0.11592   0.00000  Uiso   1.00
H515   H     0.76675   0.49341   0.15084   0.00000  Uiso   1.00
H516   H     0.93541   0.41303   0.14011   0.00000  Uiso   1.00
H517   H     0.78116   0.45070   0.07907   0.00000  Uiso   1.00
H534   H     0.94029   0.48888   0.18071   0.00000  Uiso   1.00
H535   H     0.89582   0.47533   0.18668   0.00000  Uiso   1.00
H537   H     0.84950   0.48898   0.17089   0.00000  Uiso   1.00
H543   H     0.86312   0.44832   0.09726   0.00000  Uiso   1.00
C780   C     0.82445   0.46720   0.12804   0.00000  Uiso   1.00
C788   C     0.98871   0.39863   0.14819   0.00000  Uiso   1.00
C789   C     0.93526   0.45252   0.15634   0.00000  Uiso   1.00
C792   C     0.98681   0.48543   0.19814   0.00000  Uiso   1.00
C803   C     0.90737   0.45754   0.14895   0.00000  Uiso   1.00
C807   C     0.97634   0.46869   0.17719   0.00000  Uiso   1.00
C808   C     0.85131   0.46550   0.13434   0.00000  Uiso   1.00
C813   C     0.97532   0.42355   0.15493   0.00000  Uiso   1.00
C814   C     0.89798   0.44914   0.12406   0.00000  Uiso   1.00
C823   C     0.97889   0.38112   0.12785   0.00000  Uiso   1.00
C834   C     0.97724   0.48106   0.22522   0.00000  Uiso   1.00
C836   C     0.94901   0.47139   0.17181   0.00000  Uiso   1.00
C840   C     0.94832   0.42865   0.14944   0.00000  Uiso   1.00
C842   C     0.86203   0.47598   0.15814   0.00000  Uiso   1.00
C843   C     0.98987   0.44496   0.16733   0.00000  Uiso   1.00
C849   C     0.99343   0.49020   0.24587   0.00000  Uiso   1.00
C850   C     0.88921   0.47098   0.16681   0.00000  Uiso   1.00
C852   C     0.87061   0.45331   0.11711   0.00000  Uiso   1.00
C855   C     0.99369   0.35971   0.11846   0.00000  Uiso   1.00
N151   N     0.59022   0.34059   0.08591   0.00000  Uiso   1.00
N152   N     0.63522   0.34454   0.09808   0.00000  Uiso   1.00
N153   N     0.60134   0.35820   0.12894   0.00000  Uiso   1.00
C866   C     0.58242   0.34970   0.11106   0.00000  Uiso   1.00
H576   H     0.51038   0.36615   0.16716   0.00000  Uiso   1.00
H577   H     0.56078   0.37081   0.15391   0.00000  Uiso   1.00
H578   H     0.54170   0.33794   0.07508   0.00000  Uiso   1.00
H595   H     0.62380   0.32836   0.06285   0.00000  Uiso   1.00
H596   H     0.64250   0.35774   0.13645   0.00000  Uiso   1.00
C871   C     0.55400   0.35070   0.11543   0.00000  Uiso   1.00
C904   C     0.53425   0.34229   0.09613   0.00000  Uiso   1.00
C909   C     0.50614   0.34011   0.10349   0.00000  Uiso   1.00
C924   C     0.51681   0.36032   0.14640   0.00000  Uiso   1.00
C941   C     0.54564   0.36201   0.14010   0.00000  Uiso   1.00
C964   C     0.62609   0.35510   0.12148   0.00000  Uiso   1.00
C970   C     0.61598   0.33832   0.08041   0.00000  Uiso   1.00
H849   H     0.51314   0.39624   0.09058   0.00000  Uiso   1.00
H850   H     0.50197   0.46220   0.14227   0.00000  Uiso   1.00
H852   H     0.55132   0.42475   0.07654   0.00000  Uiso   1.00
H853   H     0.59813   0.41594   0.08596   0.00000  Uiso   1.00
H854   H     0.58472   0.43692   0.16969   0.00000  Uiso   1.00
H855   H     0.53609   0.44047   0.15985   0.00000  Uiso   1.00
H863   H     0.50307   0.38632   0.05100   0.00000  Uiso   1.00
H866   H     0.66979   0.45324   0.17299   0.00000  Uiso   1.00
H867   H     0.67904   0.41805   0.09560   0.00000  Uiso   1.00
N210   N     0.63562   0.44010   0.15283   0.00000  Uiso   1.00
N211   N     0.67905   0.43567   0.13504   0.00000  Uiso   1.00
N213   N     0.63964   0.42294   0.11081   0.00000  Uiso   1.00
C1335  C     0.62421   0.43021   0.13137   0.00000  Uiso   1.00
C1340  C     0.66214   0.44385   0.15466   0.00000  Uiso   1.00
C1341  C     0.66711   0.42597   0.11307   0.00000  Uiso   1.00
C1342  C     0.59686   0.42899   0.12824   0.00000  Uiso   1.00
C1349  C     0.53852   0.43161   0.11794   0.00000  Uiso   1.00
C1350  C     0.50963   0.43289   0.11389   0.00000  Uiso   1.00
C1351  C     0.57818   0.43543   0.14882   0.00000  Uiso   1.00
C1354  C     0.55049   0.43669   0.14269   0.00000  Uiso   1.00
C1360  C     0.58465   0.42272   0.10208   0.00000  Uiso   1.00
C1363  C     0.55732   0.42549   0.09792   0.00000  Uiso   1.00
H917   H     0.86836   0.38507   0.00457   0.00000  Uiso   1.00
H918   H     0.85893   0.41648   0.04885   0.00000  Uiso   1.00
H919   H     0.83376   0.45974   0.04094   0.00000  Uiso   1.00
C1425  C     0.85485   0.40297   0.00624   0.00000  Uiso   1.00
C1427  C     0.85114   0.42118   0.02880   0.00000  Uiso   1.00
C1429  C     0.83588   0.44429   0.02453   0.00000  Uiso   1.00
C1431  C     0.82205   0.44874   0.00014   0.00000  Uiso   1.00
N7     N     0.15728   0.61662   0.41732   0.00000  Uiso   1.00
N8     N     0.12609   0.59460   0.44537   0.00000  Uiso   1.00
N9     N     0.16952   0.60585   0.46167   0.00000  Uiso   1.00
C4     C     0.13297   0.60449   0.42025   0.00000  Uiso   1.00
C5     C     0.17427   0.61804   0.43849   0.00000  Uiso   1.00
H22    H     0.10046   0.56266   0.47574   0.00000  Uiso   1.00
H29    H     0.19195   0.62852   0.43505   0.00000  Uiso   1.00
H30    H     0.11797   0.60446   0.40416   0.00000  Uiso   1.00
C13    C     0.14472   0.59379   0.46545   0.00000  Uiso   1.00
C20    C     0.13868   0.58082   0.48934   0.00000  Uiso   1.00
C37    C     0.11446   0.56603   0.49208   0.00000  Uiso   1.00
N22    N     0.41861   0.54346   0.36070   0.00000  Uiso   1.00
N23    N     0.39639   0.50345   0.36605   0.00000  Uiso   1.00
N24    N     0.39613   0.52348   0.32378   0.00000  Uiso   1.00
C69    C     0.41099   0.52395   0.37659   0.00000  Uiso   1.00
C70    C     0.38819   0.50394   0.34066   0.00000  Uiso   1.00
C71    C     0.40893   0.54391   0.33560   0.00000  Uiso   1.00
H99    H     0.46626   0.55715   0.48677   0.00000  Uiso   1.00
H104   H     0.43996   0.56213   0.40301   0.00000  Uiso   1.00
H105   H     0.46046   0.55789   0.44679   0.00000  Uiso   1.00
H115   H     0.46353   0.65805   0.29057   0.00000  Uiso   1.00
H116   H     0.46041   0.68210   0.21005   0.00000  Uiso   1.00
H117   H     0.42321   0.60938   0.22962   0.00000  Uiso   1.00
H118   H     0.46526   0.69817   0.30115   0.00000  Uiso   1.00
H119   H     0.48914   0.74013   0.31421   0.00000  Uiso   1.00
H122   H     0.49566   0.70397   0.21984   0.00000  Uiso   1.00
H123   H     0.45808   0.66275   0.16735   0.00000  Uiso   1.00
H124   H     0.43201   0.65492   0.12432   0.00000  Uiso   1.00
H125   H     0.38805   0.63151   0.12506   0.00000  Uiso   1.00
H126   H     0.37052   0.61429   0.16517   0.00000  Uiso   1.00
H127   H     0.39296   0.62204   0.20872   0.00000  Uiso   1.00
H128   H     0.41411   0.58116   0.25437   0.00000  Uiso   1.00
H129   H     0.39678   0.54981   0.28305   0.00000  Uiso   1.00
H130   H     0.43385   0.58927   0.35028   0.00000  Uiso   1.00
H131   H     0.45374   0.62633   0.31785   0.00000  Uiso   1.00
H139   H     0.48794   0.50079   0.09885   0.00000  Uiso   1.00
C89    C     0.45691   0.51394   0.48084   0.00000  Uiso   1.00
C93    C     0.42363   0.52123   0.40305   0.00000  Uiso   1.00
C95    C     0.44429   0.51656   0.45574   0.00000  Uiso   1.00
C102   C     0.46455   0.67333   0.25195   0.00000  Uiso   1.00
C104   C     0.43979   0.64696   0.21691   0.00000  Uiso   1.00
C105   C     0.44226   0.62882   0.26375   0.00000  Uiso   1.00
C108   C     0.47692   0.69808   0.25903   0.00000  Uiso   1.00
C110   C     0.42616   0.64392   0.19162   0.00000  Uiso   1.00
C112   C     0.41747   0.56615   0.31897   0.00000  Uiso   1.00
C114   C     0.43614   0.60687   0.28276   0.00000  Uiso   1.00
C124   C     0.46494   0.53660   0.49578   0.00000  Uiso   1.00
C130   C     0.43762   0.54298   0.41432   0.00000  Uiso   1.00
C132   C     0.44814   0.54048   0.44089   0.00000  Uiso   1.00
C158   C     0.45720   0.66759   0.22519   0.00000  Uiso   1.00
C161   C     0.43362   0.62680   0.23663   0.00000  Uiso   1.00
C164   C     0.45832   0.65332   0.27034   0.00000  Uiso   1.00
C165   C     0.47709   0.70775   0.28623   0.00000  Uiso   1.00
C167   C     0.49046   0.73066   0.29443   0.00000  Uiso   1.00
C173   C     0.49414   0.71173   0.24070   0.00000  Uiso   1.00
C176   C     0.43853   0.65277   0.16710   0.00000  Uiso   1.00
C178   C     0.42468   0.64779   0.14314   0.00000  Uiso   1.00
C180   C     0.39751   0.63751   0.14358   0.00000  Uiso   1.00
C182   C     0.38937   0.62528   0.16692   0.00000  Uiso   1.00
C184   C     0.40240   0.62881   0.19121   0.00000  Uiso   1.00
C187   C     0.42040   0.58376   0.27389   0.00000  Uiso   1.00
C189   C     0.41026   0.56514   0.29169   0.00000  Uiso   1.00
C192   C     0.43163   0.58892   0.32885   0.00000  Uiso   1.00
C194   C     0.44175   0.60857   0.31156   0.00000  Uiso   1.00
N37    N     0.31644   0.69517   0.34162   0.00000  Uiso   1.00
N38    N     0.32415   0.74165   0.33433   0.00000  Uiso   1.00
N39    N     0.31592   0.72602   0.37866   0.00000  Uiso   1.00
N41    N     0.17761   0.51461   0.35555   0.00000  Uiso   1.00
N42    N     0.14956   0.51121   0.39247   0.00000  Uiso   1.00
C229   C     0.31995   0.71635   0.32501   0.00000  Uiso   1.00
C230   C     0.15828   0.50224   0.34129   0.00000  Uiso   1.00
C231   C     0.32043   0.74612   0.36120   0.00000  Uiso   1.00
H149   H     0.25126   0.56633   0.38486   0.00000  Uiso   1.00
H150   H     0.21794   0.53798   0.36333   0.00000  Uiso   1.00
H151   H     0.16967   0.53547   0.43851   0.00000  Uiso   1.00
H152   H     0.20540   0.56479   0.45903   0.00000  Uiso   1.00
H153   H     0.29118   0.67093   0.45454   0.00000  Uiso   1.00
H154   H     0.30401   0.70571   0.42397   0.00000  Uiso   1.00
H155   H     0.31159   0.64672   0.35745   0.00000  Uiso   1.00
H156   H     0.30552   0.61141   0.39317   0.00000  Uiso   1.00
H159   H     0.24840   0.55623   0.47298   0.00000  Uiso   1.00
H160   H     0.32065   0.76635   0.36931   0.00000  Uiso   1.00
H162   H     0.32222   0.71351   0.30334   0.00000  Uiso   1.00
H164   H     0.30149   0.62506   0.47447   0.00000  Uiso   1.00
H165   H     0.25900   0.60830   0.40206   0.00000  Uiso   1.00
C235   C     0.17224   0.51944   0.38094   0.00000  Uiso   1.00
C237   C     0.31439   0.70145   0.36888   0.00000  Uiso   1.00
C238   C     0.31040   0.67928   0.38789   0.00000  Uiso   1.00
C239   C     0.28100   0.61981   0.43764   0.00000  Uiso   1.00
C241   C     0.29755   0.63850   0.42425   0.00000  Uiso   1.00
C242   C     0.27161   0.59393   0.47952   0.00000  Uiso   1.00
C243   C     0.23015   0.56709   0.42299   0.00000  Uiso   1.00
C244   C     0.25059   0.58178   0.43585   0.00000  Uiso   1.00
C245   C     0.18992   0.53507   0.39703   0.00000  Uiso   1.00
C248   C     0.25549   0.57583   0.46427   0.00000  Uiso   1.00
C250   C     0.21440   0.54401   0.38371   0.00000  Uiso   1.00
C251   C     0.30656   0.63224   0.39853   0.00000  Uiso   1.00
C252   C     0.28654   0.61313   0.46475   0.00000  Uiso   1.00
C253   C     0.30675   0.68594   0.41581   0.00000  Uiso   1.00
C254   C     0.30857   0.65211   0.37903   0.00000  Uiso   1.00
C255   C     0.18749   0.54280   0.42531   0.00000  Uiso   1.00
C256   C     0.30186   0.66599   0.43472   0.00000  Uiso   1.00
C258   C     0.26107   0.60554   0.42288   0.00000  Uiso   1.00
C259   C     0.23292   0.56186   0.39560   0.00000  Uiso   1.00
C260   C     0.20723   0.55843   0.43788   0.00000  Uiso   1.00
C267   C     0.49706   0.57258   0.07591   0.00000  Uiso   1.00
H213   H     0.39153   0.51424   0.06047   0.00000  Uiso   1.00
H214   H     0.30784   0.53702   0.07774   0.00000  Uiso   1.00
H215   H     0.37194   0.58951   0.10130   0.00000  Uiso   1.00
H216   H     0.37111   0.50388   0.02286   0.00000  Uiso   1.00
H220   H     0.34041   0.60042   0.13109   0.00000  Uiso   1.00
H221   H     0.31269   0.64440   0.13402   0.00000  Uiso   1.00
H222   H     0.27450   0.65197   0.10071   0.00000  Uiso   1.00
H223   H     0.26938   0.61828   0.06327   0.00000  Uiso   1.00
H224   H     0.29554   0.57705   0.06426   0.00000  Uiso   1.00
H225   H     0.41445   0.57902   0.11616   0.00000  Uiso   1.00
H226   H     0.46456   0.58601   0.11408   0.00000  Uiso   1.00
H227   H     0.46591   0.54984   0.03524   0.00000  Uiso   1.00
H228   H     0.41883   0.54366   0.03733   0.00000  Uiso   1.00
H230   H     0.02445   0.59181   0.17794   0.00000  Uiso   1.00
H231   H     0.06121   0.60843   0.25686   0.00000  Uiso   1.00
H235   H     0.00095   0.55390   0.16148   0.00000  Uiso   1.00
H236   H     0.04389   0.62845   0.16676   0.00000  Uiso   1.00
H237   H     0.08385   0.64500   0.13935   0.00000  Uiso   1.00
H238   H     0.13102   0.64283   0.16033   0.00000  Uiso   1.00
H239   H     0.13866   0.62411   0.20521   0.00000  Uiso   1.00
H240   H     0.09902   0.60306   0.23055   0.00000  Uiso   1.00
H241   H     0.03642   0.63342   0.28652   0.00000  Uiso   1.00
H242   H     0.02015   0.64418   0.33182   0.00000  Uiso   1.00
H251   H     0.25520   0.54257   0.00508   0.00000  Uiso   1.00
H252   H     0.27100   0.51702   0.04387   0.00000  Uiso   1.00
H253   H     0.24118   0.50690   0.08336   0.00000  Uiso   1.00
H254   H     0.19454   0.52505   0.08222   0.00000  Uiso   1.00
H255   H     0.17608   0.54852   0.04495   0.00000  Uiso   1.00
C273   C     0.38424   0.55277   0.08030   0.00000  Uiso   1.00
C277   C     0.34027   0.50134   0.05291   0.00000  Uiso   1.00
C280   C     0.31911   0.58613   0.09728   0.00000  Uiso   1.00
C282   C     0.46939   0.57013   0.07515   0.00000  Uiso   1.00
C283   C     0.41137   0.56190   0.07789   0.00000  Uiso   1.00
C285   C     0.00383   0.57785   0.21319   0.00000  Uiso   1.00
C286   C     0.04701   0.60093   0.21435   0.00000  Uiso   1.00
C288   C     0.02393   0.58738   0.25766   0.00000  Uiso   1.00
C292   C     0.06792   0.61362   0.20023   0.00000  Uiso   1.00
C294   C     0.02017   0.59206   0.28613   0.00000  Uiso   1.00
C302   C     0.21403   0.54883   0.02069   0.00000  Uiso   1.00
C322   C     0.34854   0.52426   0.06565   0.00000  Uiso   1.00
C324   C     0.33835   0.56635   0.09014   0.00000  Uiso   1.00
C326   C     0.28755   0.63429   0.09998   0.00000  Uiso   1.00
C327   C     0.06433   0.62749   0.17592   0.00000  Uiso   1.00
C329   C     0.08613   0.63561   0.15986   0.00000  Uiso   1.00
C331   C     0.11284   0.63265   0.17054   0.00000  Uiso   1.00
C333   C     0.11721   0.62268   0.19672   0.00000  Uiso   1.00
C335   C     0.09443   0.61240   0.21047   0.00000  Uiso   1.00
C338   C     0.02520   0.61809   0.29752   0.00000  Uiso   1.00
C340   C     0.01555   0.62374   0.32293   0.00000  Uiso   1.00
C345   C     0.28484   0.61668   0.07814   0.00000  Uiso   1.00
C346   C     0.00451   0.57195   0.29944   0.00000  Uiso   1.00
C351   C     0.29751   0.59188   0.07959   0.00000  Uiso   1.00
C356   C     0.42598   0.57475   0.09921   0.00000  Uiso   1.00
C362   C     0.45464   0.57729   0.09751   0.00000  Uiso   1.00
C364   C     0.24099   0.54071   0.02241   0.00000  Uiso   1.00
C366   C     0.25045   0.52449   0.04380   0.00000  Uiso   1.00
C368   C     0.23310   0.51682   0.06539   0.00000  Uiso   1.00
C370   C     0.20642   0.52609   0.06422   0.00000  Uiso   1.00
C372   C     0.19733   0.54228   0.04277   0.00000  Uiso   1.00
C373   C     0.36647   0.56994   0.09330   0.00000  Uiso   1.00
C382   C     0.45571   0.55784   0.05264   0.00000  Uiso   1.00
C385   C     0.42722   0.55373   0.05474   0.00000  Uiso   1.00
C398   C     0.37565   0.52893   0.06761   0.00000  Uiso   1.00
C403   C     0.02572   0.58978   0.20022   0.00000  Uiso   1.00
C408   C     0.04568   0.59941   0.24394   0.00000  Uiso   1.00
C411   C     0.32332   0.60372   0.11871   0.00000  Uiso   1.00
C418   C     0.00398   0.57547   0.24153   0.00000  Uiso   1.00
C421   C     0.30807   0.62725   0.12014   0.00000  Uiso   1.00
C435   C     0.32973   0.54222   0.07805   0.00000  Uiso   1.00
N62    N     0.49064   0.59693   0.17323   0.00000  Uiso   1.00
N63    N     0.48150   0.56643   0.20915   0.00000  Uiso   1.00
C447   C     0.47977   0.57414   0.18322   0.00000  Uiso   1.00
H285   H     0.49179   0.60605   0.34181   0.00000  Uiso   1.00
H286   H     0.49670   0.52092   0.33937   0.00000  Uiso   1.00
H289   H     0.49464   0.68451   0.42725   0.00000  Uiso   1.00
H290   H     0.46382   0.67648   0.39236   0.00000  Uiso   1.00
H291   H     0.46099   0.62972   0.37095   0.00000  Uiso   1.00
H292   H     0.47161   0.52920   0.29946   0.00000  Uiso   1.00
H293   H     0.47090   0.54069   0.24959   0.00000  Uiso   1.00
H304   H     0.46773   0.55887   0.17124   0.00000  Uiso   1.00
C449   C     0.49313   0.58373   0.22631   0.00000  Uiso   1.00
C451   C     0.49396   0.57669   0.25385   0.00000  Uiso   1.00
C452   C     0.49809   0.56438   0.31065   0.00000  Uiso   1.00
C456   C     0.49130   0.61246   0.39643   0.00000  Uiso   1.00
C457   C     0.49276   0.58748   0.38296   0.00000  Uiso   1.00
C458   C     0.49491   0.56254   0.33962   0.00000  Uiso   1.00
C460   C     0.49466   0.58693   0.35406   0.00000  Uiso   1.00
C463   C     0.47632   0.65912   0.39959   0.00000  Uiso   1.00
C466   C     0.49496   0.53748   0.35279   0.00000  Uiso   1.00
C467   C     0.47492   0.63347   0.38848   0.00000  Uiso   1.00
C468   C     0.48136   0.55422   0.26503   0.00000  Uiso   1.00
C472   C     0.48325   0.54800   0.29242   0.00000  Uiso   1.00
C474   C     0.49293   0.66337   0.42153   0.00000  Uiso   1.00
H402   H     0.23819   0.51443   0.48175   0.00000  Uiso   1.00
H404   H     0.13368   0.50433   0.45140   0.00000  Uiso   1.00
H405   H     0.09848   0.52905   0.42548   0.00000  Uiso   1.00
H415   H     0.13246   0.51984   0.12396   0.00000  Uiso   1.00
H416   H     0.13027   0.53141   0.17282   0.00000  Uiso   1.00
H417   H     0.14007   0.50184   0.20653   0.00000  Uiso   1.00
H429   H     0.04566   0.56998   0.37835   0.00000  Uiso   1.00
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N95    N     0.02293   0.50525   0.41328   0.00000  Uiso   1.00
N96    N     0.01418   0.54322   0.38539   0.00000  Uiso   1.00
C593   C     0.04965   0.51410   0.41628   0.00000  Uiso   1.00
C598   C     0.00709   0.52047   0.39758   0.00000  Uiso   1.00
C600   C     0.04099   0.54938   0.38661   0.00000  Uiso   1.00
C603   C     0.06724   0.50032   0.43398   0.00000  Uiso   1.00
C633   C     0.13663   0.50356   0.13883   0.00000  Uiso   1.00
C635   C     0.13498   0.51226   0.16532   0.00000  Uiso   1.00
C652   C     0.09362   0.51122   0.43692   0.00000  Uiso   1.00
C670   C     0.22756   0.50720   0.49974   0.00000  Uiso   1.00
N110   N     0.03141   0.57717   0.46290   0.00000  Uiso   1.00
N111   N     0.02934   0.62411   0.46474   0.00000  Uiso   1.00
C679   C     0.04296   0.60091   0.46483   0.00000  Uiso   1.00
C680   C     0.00346   0.62365   0.45830   0.00000  Uiso   1.00
H474   H     0.02805   0.52966   0.46834   0.00000  Uiso   1.00
H479   H     0.06483   0.60113   0.46869   0.00000  Uiso   1.00
C689   C     0.00511   0.57759   0.45961   0.00000  Uiso   1.00
C737   C     0.00679   0.52833   0.46753   0.00000  Uiso   1.00
N121   N     0.05733   0.52233   0.25963   0.00000  Uiso   1.00
N122   N     0.02243   0.50975   0.28980   0.00000  Uiso   1.00
N123   N     0.06297   0.52626   0.30545   0.00000  Uiso   1.00
N124   N     0.22660   0.69743   0.10219   0.00000  Uiso   1.00
N125   N     0.20085   0.66301   0.12416   0.00000  Uiso   1.00
N126   N     0.23782   0.68584   0.14634   0.00000  Uiso   1.00
N133   N     0.33505   0.56926   0.34597   0.00000  Uiso   1.00
N134   N     0.35430   0.54405   0.37945   0.00000  Uiso   1.00
N135   N     0.31839   0.52659   0.35531   0.00000  Uiso   1.00
C767   C     0.03786   0.51807   0.31045   0.00000  Uiso   1.00
C768   C     0.20716   0.67841   0.10325   0.00000  Uiso   1.00
C769   C     0.24016   0.70238   0.12462   0.00000  Uiso   1.00
C774   C     0.35400   0.56494   0.36401   0.00000  Uiso   1.00
C775   C     0.33694   0.52511   0.37403   0.00000  Uiso   1.00
H489   H     0.01949   0.50006   0.17306   0.00000  Uiso   1.00
H490   H     0.04607   0.52050   0.21079   0.00000  Uiso   1.00
H494   H     0.02927   0.51683   0.33080   0.00000  Uiso   1.00
H496   H     0.16645   0.59251   0.22867   0.00000  Uiso   1.00
H497   H     0.19963   0.54092   0.28871   0.00000  Uiso   1.00
H498   H     0.25115   0.59650   0.24483   0.00000  Uiso   1.00
H499   H     0.13746   0.55723   0.22176   0.00000  Uiso   1.00
H500   H     0.09581   0.53952   0.23041   0.00000  Uiso   1.00
H501   H     0.11278   0.54055   0.31795   0.00000  Uiso   1.00
H502   H     0.15807   0.55017   0.30719   0.00000  Uiso   1.00
H503   H     0.24001   0.52225   0.29518   0.00000  Uiso   1.00
H504   H     0.27911   0.51585   0.32814   0.00000  Uiso   1.00
H505   H     0.30568   0.59710   0.31361   0.00000  Uiso   1.00
H506   H     0.26433   0.60595   0.28953   0.00000  Uiso   1.00
H507   H     0.17898   0.59456   0.18833   0.00000  Uiso   1.00
H508   H     0.17923   0.62616   0.15009   0.00000  Uiso   1.00
H509   H     0.24964   0.66913   0.19115   0.00000  Uiso   1.00
H510   H     0.24374   0.63896   0.22800   0.00000  Uiso   1.00
H511   H     0.25689   0.71735   0.12398   0.00000  Uiso   1.00
H512   H     0.19327   0.67815   0.08586   0.00000  Uiso   1.00
H538   H     0.37002   0.58013   0.36730   0.00000  Uiso   1.00
H539   H     0.34020   0.50601   0.38443   0.00000  Uiso   1.00
H544   H     0.27858   0.50126   0.11995   0.00000  Uiso   1.00
C779   C     0.21758   0.66632   0.14476   0.00000  Uiso   1.00
C781   C     0.03220   0.51417   0.26519   0.00000  Uiso   1.00
C784   C     0.07204   0.52884   0.28053   0.00000  Uiso   1.00
C785   C     0.31578   0.55004   0.34244   0.00000  Uiso   1.00
C787   C     0.20779   0.59801   0.23615   0.00000  Uiso   1.00
C794   C     0.09891   0.53859   0.27553   0.00000  Uiso   1.00
C797   C     0.15379   0.55298   0.26344   0.00000  Uiso   1.00
C801   C     0.29460   0.55455   0.32350   0.00000  Uiso   1.00
C804   C     0.22689   0.56970   0.27047   0.00000  Uiso   1.00
C805   C     0.01874   0.50429   0.24233   0.00000  Uiso   1.00
C806   C     0.24807   0.56466   0.28927   0.00000  Uiso   1.00
C809   C     0.20946   0.61554   0.21395   0.00000  Uiso   1.00
C810   C     0.21349   0.65014   0.16749   0.00000  Uiso   1.00
C811   C     0.17900   0.56618   0.26094   0.00000  Uiso   1.00
C816   C     0.20240   0.55683   0.27454   0.00000  Uiso   1.00
C821   C     0.25287   0.53884   0.30085   0.00000  Uiso   1.00
C824   C     0.10784   0.54118   0.24838   0.00000  Uiso   1.00
C826   C     0.27757   0.53379   0.31682   0.00000  Uiso   1.00
C828   C     0.02644   0.50878   0.21588   0.00000  Uiso   1.00
C829   C     0.18266   0.58836   0.24248   0.00000  Uiso   1.00
C833   C     0.29011   0.58084   0.31205   0.00000  Uiso   1.00
C835   C     0.13423   0.55092   0.24229   0.00000  Uiso   1.00
C838   C     0.26595   0.58532   0.29719   0.00000  Uiso   1.00
C844   C     0.19122   0.61215   0.19040   0.00000  Uiso   1.00
C845   C     0.23079   0.58861   0.25035   0.00000  Uiso   1.00
C847   C     0.11749   0.54246   0.29627   0.00000  Uiso   1.00
C848   C     0.19202   0.63081   0.16884   0.00000  Uiso   1.00
C854   C     0.23175   0.65365   0.19052   0.00000  Uiso   1.00
C856   C     0.22806   0.63708   0.21291   0.00000  Uiso   1.00
C858   C     0.14464   0.54704   0.28975   0.00000  Uiso   1.00
N146   N     0.44501   0.96326   0.12579   0.00000  Uiso   1.00
N147   N     0.39834   0.97440   0.13297   0.00000  Uiso   1.00
N148   N     0.38818   0.51545   0.24747   0.00000  Uiso   1.00
N154   N     0.35334   0.72367   0.04612   0.00000  Uiso   1.00
N155   N     0.33309   0.68290   0.03529   0.00000  Uiso   1.00
N156   N     0.33451   0.69655   0.07977   0.00000  Uiso   1.00
C863   C     0.41858   0.95522   0.13066   0.00000  Uiso   1.00
C867   C     0.34754   0.71912   0.07135   0.00000  Uiso   1.00
H562   H     0.35165   0.99113   0.13912   0.00000  Uiso   1.00
H589   H     0.46758   0.99777   0.12401   0.00000  Uiso   1.00
H591   H     0.42797   0.51699   0.26164   0.00000  Uiso   1.00
H593   H     0.34899   0.51199   0.22880   0.00000  Uiso   1.00
H597   H     0.36361   0.77713   0.18667   0.00000  Uiso   1.00
H598   H     0.37181   0.86359   0.19993   0.00000  Uiso   1.00
H599   H     0.38589   0.83393   0.12159   0.00000  Uiso   1.00
H600   H     0.34552   0.77788   0.22580   0.00000  Uiso   1.00
H601   H     0.34581   0.77088   0.27597   0.00000  Uiso   1.00
H602   H     0.37122   0.80007   0.30340   0.00000  Uiso   1.00
H603   H     0.39222   0.84357   0.28415   0.00000  Uiso   1.00
H604   H     0.39473   0.84962   0.23695   0.00000  Uiso   1.00
H605   H     0.42941   0.86172   0.14255   0.00000  Uiso   1.00
H606   H     0.44860   0.90910   0.13248   0.00000  Uiso   1.00
H607   H     0.36782   0.94046   0.14107   0.00000  Uiso   1.00
H608   H     0.34999   0.89778   0.15951   0.00000  Uiso   1.00
H609   H     0.34809   0.75530   0.15847   0.00000  Uiso   1.00
H610   H     0.33865   0.71860   0.12522   0.00000  Uiso   1.00
H611   H     0.37897   0.76258   0.06216   0.00000  Uiso   1.00
H612   H     0.38794   0.80137   0.09954   0.00000  Uiso   1.00
H613   H     0.35143   0.70877   0.00739   0.00000  Uiso   1.00
H615   H     0.31652   0.65999   0.06617   0.00000  Uiso   1.00
C887   C     0.36815   0.81938   0.19729   0.00000  Uiso   1.00
C888   C     0.37894   0.85059   0.16009   0.00000  Uiso   1.00
C889   C     0.37275   0.80286   0.15078   0.00000  Uiso   1.00
C892   C     0.36996   0.81584   0.22550   0.00000  Uiso   1.00
C894   C     0.40953   0.92864   0.13610   0.00000  Uiso   1.00
C896   C     0.38927   0.87644   0.15250   0.00000  Uiso   1.00
C898   C     0.35758   0.73894   0.09105   0.00000  Uiso   1.00
C900   C     0.36798   0.78159   0.13025   0.00000  Uiso   1.00
C922   C     0.37231   0.84574   0.18707   0.00000  Uiso   1.00
C925   C     0.37952   0.82925   0.14227   0.00000  Uiso   1.00
C928   C     0.36769   0.79770   0.17962   0.00000  Uiso   1.00
C929   C     0.35526   0.79399   0.23786   0.00000  Uiso   1.00
C931   C     0.35821   0.78736   0.26617   0.00000  Uiso   1.00
C933   C     0.37150   0.80594   0.28213   0.00000  Uiso   1.00
C935   C     0.38453   0.82821   0.27054   0.00000  Uiso   1.00
C937   C     0.38482   0.83203   0.24255   0.00000  Uiso   1.00
C940   C     0.41618   0.87930   0.14159   0.00000  Uiso   1.00
C942   C     0.42629   0.90574   0.13631   0.00000  Uiso   1.00
C945   C     0.38198   0.92446   0.14303   0.00000  Uiso   1.00
C947   C     0.37201   0.90010   0.15383   0.00000  Uiso   1.00
C949   C     0.35475   0.75796   0.13783   0.00000  Uiso   1.00
C951   C     0.35050   0.73630   0.11899   0.00000  Uiso   1.00
C953   C     0.37230   0.76280   0.08320   0.00000  Uiso   1.00
C955   C     0.37728   0.78281   0.10326   0.00000  Uiso   1.00
C965   C     0.44813   0.99036   0.12556   0.00000  Uiso   1.00
C966   C     0.34544   0.70596   0.02867   0.00000  Uiso   1.00
C969   C     0.32801   0.67836   0.06127   0.00000  Uiso   1.00
C971   C     0.37089   0.50488   0.22985   0.00000  Uiso   1.00
C972   C     0.41409   0.50719   0.24706   0.00000  Uiso   1.00
H617   H     0.37871   0.71264   0.47026   0.00000  Uiso   1.00
H618   H     0.36250   0.63418   0.30695   0.00000  Uiso   1.00
H619   H     0.37375   0.66992   0.22792   0.00000  Uiso   1.00
H620   H     0.41043   0.70341   0.29993   0.00000  Uiso   1.00
H621   H     0.36849   0.59855   0.28116   0.00000  Uiso   1.00
H622   H     0.33680   0.56241   0.26427   0.00000  Uiso   1.00
H623   H     0.30166   0.61788   0.20813   0.00000  Uiso   1.00
H624   H     0.33008   0.65573   0.22570   0.00000  Uiso   1.00
H625   H     0.39133   0.69333   0.20857   0.00000  Uiso   1.00
H626   H     0.41446   0.72861   0.18129   0.00000  Uiso   1.00
H627   H     0.42668   0.77675   0.25101   0.00000  Uiso   1.00
H628   H     0.41494   0.73898   0.28035   0.00000  Uiso   1.00
H629   H     0.39039   0.62592   0.33754   0.00000  Uiso   1.00
H630   H     0.39018   0.62562   0.38740   0.00000  Uiso   1.00
H631   H     0.38938   0.71346   0.38802   0.00000  Uiso   1.00
H632   H     0.39026   0.71235   0.33836   0.00000  Uiso   1.00
H633   H     0.45825   0.84087   0.20975   0.00000  Uiso   1.00
H634   H     0.43997   0.80075   0.14036   0.00000  Uiso   1.00
H635   H     0.15681   0.56324   0.12699   0.00000  Uiso   1.00
H636   H     0.14508   0.60695   0.05410   0.00000  Uiso   1.00
H637   H     0.22342   0.60378   0.09109   0.00000  Uiso   1.00
H638   H     0.11269   0.57384   0.13320   0.00000  Uiso   1.00
H639   H     0.06719   0.55280   0.13086   0.00000  Uiso   1.00
H640   H     0.07351   0.54424   0.04422   0.00000  Uiso   1.00
H641   H     0.11936   0.57090   0.04753   0.00000  Uiso   1.00
H642   H     0.22954   0.63839   0.06752   0.00000  Uiso   1.00
H643   H     0.24261   0.67182   0.03747   0.00000  Uiso   1.00
H646   H     0.15506   0.62768   0.02501   0.00000  Uiso   1.00
H647   H     0.18428   0.53922   0.14891   0.00000  Uiso   1.00
H648   H     0.21821   0.52799   0.18270   0.00000  Uiso   1.00
H649   H     0.26775   0.59797   0.16189   0.00000  Uiso   1.00
H650   H     0.24062   0.60785   0.12563   0.00000  Uiso   1.00
H660   H     0.30453   0.50782   0.26947   0.00000  Uiso   1.00
H672   H     0.35862   0.52902   0.48311   0.00000  Uiso   1.00
H679   H     0.38098   0.55736   0.46063   0.00000  Uiso   1.00
H680   H     0.37939   0.60135   0.43605   0.00000  Uiso   1.00
N157   N     0.37235   0.67197   0.47232   0.00000  Uiso   1.00
N158   N     0.38129   0.64901   0.43261   0.00000  Uiso   1.00
N159   N     0.29920   0.54234   0.23482   0.00000  Uiso   1.00
N160   N     0.26394   0.53023   0.20742   0.00000  Uiso   1.00
N161   N     0.28489   0.57241   0.20233   0.00000  Uiso   1.00
N165   N     0.03227   0.52571   0.06407   0.00000  Uiso   1.00
N166   N     0.03297   0.52425   0.11201   0.00000  Uiso   1.00
N167   N     0.44787   0.82362   0.17358   0.00000  Uiso   1.00
N169   N     0.43475   0.77683   0.17413   0.00000  Uiso   1.00
N170   N     0.44317   0.79914   0.21501   0.00000  Uiso   1.00
N171   N     0.38186   0.69539   0.43247   0.00000  Uiso   1.00
C973   C     0.37526   0.64917   0.45918   0.00000  Uiso   1.00
C974   C     0.27994   0.52409   0.22780   0.00000  Uiso   1.00
C975   C     0.26585   0.55417   0.19587   0.00000  Uiso   1.00
C977   C     0.30194   0.56631   0.22246   0.00000  Uiso   1.00
C978   C     0.04304   0.53321   0.08799   0.00000  Uiso   1.00
C979   C     0.38225   0.67209   0.42000   0.00000  Uiso   1.00
C980   C     0.43437   0.77759   0.20120   0.00000  Uiso   1.00
C981   C     0.37728   0.69507   0.45871   0.00000  Uiso   1.00
C984   C     0.01291   0.50661   0.11141   0.00000  Uiso   1.00
C985   C     0.00865   0.51148   0.06582   0.00000  Uiso   1.00
C986   C     0.44114   0.80055   0.16180   0.00000  Uiso   1.00
C987   C     0.44967   0.82225   0.20061   0.00000  Uiso   1.00
C989   C     0.40418   0.71278   0.24683   0.00000  Uiso   1.00
C992   C     0.24631   0.56065   0.17538   0.00000  Uiso   1.00
C993   C     0.38658   0.67035   0.39179   0.00000  Uiso   1.00
C995   C     0.38743   0.66841   0.30532   0.00000  Uiso   1.00
C997   C     0.38869   0.66870   0.33440   0.00000  Uiso   1.00
C999   C     0.06812   0.54641   0.08818   0.00000  Uiso   1.00
C1002  C     0.19064   0.62666   0.04926   0.00000  Uiso   1.00
C1003  C     0.11878   0.57268   0.08976   0.00000  Uiso   1.00
C1004  C     0.42368   0.75598   0.21532   0.00000  Uiso   1.00
C1005  C     0.35340   0.62802   0.25235   0.00000  Uiso   1.00
C1006  C     0.20930   0.57458   0.13208   0.00000  Uiso   1.00
C1010  C     0.36749   0.64974   0.26506   0.00000  Uiso   1.00
C1011  C     0.39292   0.69120   0.26144   0.00000  Uiso   1.00
C1012  C     0.14583   0.58401   0.09064   0.00000  Uiso   1.00
C1014  C     0.37240   0.62399   0.47320   0.00000  Uiso   1.00
C1015  C     0.18511   0.60616   0.06817   0.00000  Uiso   1.00
C1017  C     0.31813   0.58698   0.23224   0.00000  Uiso   1.00
C1018  C     0.19211   0.58220   0.11096   0.00000  Uiso   1.00
C1020  C     0.17434   0.63639   0.02832   0.00000  Uiso   1.00
C1023  C     0.08265   0.55088   0.06399   0.00000  Uiso   1.00
C1025  C     0.37801   0.67046   0.24903   0.00000  Uiso   1.00
C1027  C     0.33369   0.63452   0.23209   0.00000  Uiso   1.00
C1028  C     0.10621   0.56639   0.06467   0.00000  Uiso   1.00
C1030  C     0.08024   0.55583   0.11321   0.00000  Uiso   1.00
C1031  C     0.25155   0.58446   0.15894   0.00000  Uiso   1.00
C1032  C     0.20303   0.55188   0.14991   0.00000  Uiso   1.00
C1033  C     0.39001   0.64502   0.34841   0.00000  Uiso   1.00
C1034  C     0.41493   0.73117   0.20231   0.00000  Uiso   1.00
C1035  C     0.35390   0.60213   0.26404   0.00000  Uiso   1.00
C1036  C     0.21589   0.64067   0.05091   0.00000  Uiso   1.00
C1038  C     0.38782   0.69437   0.37783   0.00000  Uiso   1.00
C1039  C     0.23473   0.58881   0.13604   0.00000  Uiso   1.00
C1040  C     0.22388   0.66107   0.03339   0.00000  Uiso   1.00
C1041  C     0.40244   0.71114   0.21811   0.00000  Uiso   1.00
C1042  C     0.41233   0.73719   0.25827   0.00000  Uiso   1.00
C1046  C     0.22292   0.54393   0.16933   0.00000  Uiso   1.00
C1049  C     0.20786   0.66861   0.01246   0.00000  Uiso   1.00
C1053  C     0.41995   0.75812   0.24339   0.00000  Uiso   1.00
C1055  C     0.38892   0.69258   0.34893   0.00000  Uiso   1.00
C1059  C     0.33683   0.58099   0.25346   0.00000  Uiso   1.00
C1062  C     0.37201   0.64827   0.29309   0.00000  Uiso   1.00
C1063  C     0.37600   0.57602   0.47233   0.00000  Uiso   1.00
C1064  C     0.15729   0.59983   0.06963   0.00000  Uiso   1.00
C1065  C     0.37630   0.60039   0.45796   0.00000  Uiso   1.00
C1066  C     0.18276   0.65659   0.00951   0.00000  Uiso   1.00
C1069  C     0.39864   0.68907   0.28913   0.00000  Uiso   1.00
C1071  C     0.20238   0.59658   0.08938   0.00000  Uiso   1.00
C1076  C     0.38885   0.64472   0.37684   0.00000  Uiso   1.00
C1078  C     0.16423   0.57470   0.11024   0.00000  Uiso   1.00
C1080  C     0.10572   0.56760   0.11422   0.00000  Uiso   1.00
C1082  C     0.31828   0.61347   0.22176   0.00000  Uiso   1.00
H734   H     0.33939   0.60783   0.00399   0.00000  Uiso   1.00
H759   H     0.38070   0.65101   0.06504   0.00000  Uiso   1.00
H760   H     0.45491   0.62573   0.03420   0.00000  Uiso   1.00
N190   N     0.37872   0.62701   0.03015   0.00000  Uiso   1.00
N191   N     0.41934   0.63958   0.05210   0.00000  Uiso   1.00
N192   N     0.42043   0.61742   0.01114   0.00000  Uiso   1.00
C1093  C     0.39308   0.61499   0.01194   0.00000  Uiso   1.00
C1102  C     0.39248   0.63778   0.05102   0.00000  Uiso   1.00
C1104  C     0.43326   0.62895   0.03180   0.00000  Uiso   1.00
N196   N     0.30917   0.53039   0.47987   0.00000  Uiso   1.00
N198   N     0.29315   0.52128   0.43738   0.00000  Uiso   1.00
C1202  C     0.30065   0.50713   0.48906   0.00000  Uiso   1.00
H771   H     0.31377   0.55774   0.44794   0.00000  Uiso   1.00
H788   H     0.43948   0.51837   0.00567   0.00000  Uiso   1.00
H823   H     0.27489   0.50704   0.39742   0.00000  Uiso   1.00
C1329  C     0.30586   0.53781   0.45466   0.00000  Uiso   1.00
H847   H     0.38656   0.57186   0.21476   0.00000  Uiso   1.00
H848   H     0.33422   0.55389   0.15297   0.00000  Uiso   1.00
H857   H     0.44204   0.51841   0.18259   0.00000  Uiso   1.00
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N207   N     0.40144   0.54357   0.18488   0.00000  Uiso   1.00
N212   N     0.35848   0.56384   0.18613   0.00000  Uiso   1.00
C1334  C     0.39351   0.52887   0.16375   0.00000  Uiso   1.00
C1336  C     0.35237   0.54957   0.16458   0.00000  Uiso   1.00
C1338  C     0.38339   0.56064   0.19556   0.00000  Uiso   1.00
C1347  C     0.41123   0.51002   0.15321   0.00000  Uiso   1.00
C1364  C     0.43666   0.50394   0.16472   0.00000  Uiso   1.00
N4     N     0.86077   0.50087   0.36273   0.00000  Uiso   1.00
N6     N     0.85032   0.52495   0.40330   0.00000  Uiso   1.00
C3     C     0.85183   0.52367   0.37594   0.00000  Uiso   1.00
H6     H     0.85806   0.54658   0.49906   0.00000  Uiso   1.00
H7     H     0.85694   0.54645   0.44717   0.00000  Uiso   1.00
H25    H     0.84531   0.54018   0.36221   0.00000  Uiso   1.00
C11    C     0.85610   0.50216   0.41807   0.00000  Uiso   1.00
C28    C     0.85584   0.50278   0.44631   0.00000  Uiso   1.00
C48    C     0.85661   0.52784   0.48867   0.00000  Uiso   1.00
C60    C     0.85592   0.52777   0.45986   0.00000  Uiso   1.00
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N29    N     0.82364   0.58686   0.01218   0.00000  Uiso   1.00
N30    N     0.81817   0.59661   0.05839   0.00000  Uiso   1.00
N34    N     0.57468   0.58920   0.37121   0.00000  Uiso   1.00
N35    N     0.57731   0.55071   0.39996   0.00000  Uiso   1.00
N36    N     0.58005   0.59619   0.41843   0.00000  Uiso   1.00
C66    C     0.55392   0.50153   0.12140   0.00000  Uiso   1.00
C73    C     0.81159   0.58205   0.03680   0.00000  Uiso   1.00
C75    C     0.57261   0.56230   0.37483   0.00000  Uiso   1.00
H46    H     0.57265   0.52610   0.25057   0.00000  Uiso   1.00
H50    H     0.56851   0.50608   0.37156   0.00000  Uiso   1.00
H51    H     0.56156   0.58219   0.32616   0.00000  Uiso   1.00
H52    H     0.56252   0.55742   0.28521   0.00000  Uiso   1.00
H58    H     0.50103   0.51597   0.19540   0.00000  Uiso   1.00
H59    H     0.50696   0.51527   0.14760   0.00000  Uiso   1.00
H60    H     0.59087   0.50153   0.15903   0.00000  Uiso   1.00
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H63    H     0.70719   0.51054   0.06892   0.00000  Uiso   1.00
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H120   H     0.51986   0.75859   0.28211   0.00000  Uiso   1.00
H121   H     0.52350   0.74312   0.23648   0.00000  Uiso   1.00
H135   H     0.83996   0.62849   0.07556   0.00000  Uiso   1.00
H142   H     0.57860   0.62680   0.39118   0.00000  Uiso   1.00
H144   H     0.58691   0.55960   0.44017   0.00000  Uiso   1.00
C80    C     0.55005   0.50682   0.14907   0.00000  Uiso   1.00
C81    C     0.53852   0.50501   0.23186   0.00000  Uiso   1.00
C83    C     0.54361   0.51427   0.20619   0.00000  Uiso   1.00
C94    C     0.56883   0.54577   0.35282   0.00000  Uiso   1.00
C103   C     0.79384   0.55948   0.03871   0.00000  Uiso   1.00
C106   C     0.55999   0.51600   0.30380   0.00000  Uiso   1.00
C107   C     0.75552   0.51534   0.04031   0.00000  Uiso   1.00
C111   C     0.54959   0.50289   0.28029   0.00000  Uiso   1.00
C136   C     0.56955   0.51145   0.19527   0.00000  Uiso   1.00
C140   C     0.56311   0.55923   0.32741   0.00000  Uiso   1.00
C147   C     0.55533   0.51193   0.25370   0.00000  Uiso   1.00
C149   C     0.76937   0.52377   0.01564   0.00000  Uiso   1.00
C152   C     0.56379   0.54433   0.30313   0.00000  Uiso   1.00
C154   C     0.78854   0.54350   0.01578   0.00000  Uiso   1.00
C159   C     0.56274   0.50258   0.32932   0.00000  Uiso   1.00
C162   C     0.78047   0.55133   0.06467   0.00000  Uiso   1.00
C166   C     0.52461   0.51249   0.15982   0.00000  Uiso   1.00
C168   C     0.76012   0.53076   0.06437   0.00000  Uiso   1.00
C169   C     0.50750   0.74260   0.27581   0.00000  Uiso   1.00
C171   C     0.50959   0.73388   0.24936   0.00000  Uiso   1.00
C201   C     0.56880   0.51775   0.35341   0.00000  Uiso   1.00
C206   C     0.52139   0.51760   0.18749   0.00000  Uiso   1.00
C217   C     0.57204   0.50754   0.16738   0.00000  Uiso   1.00
C222   C     0.84065   0.60828   0.01123   0.00000  Uiso   1.00
C225   C     0.58188   0.56842   0.42021   0.00000  Uiso   1.00
C226   C     0.83680   0.61733   0.05668   0.00000  Uiso   1.00
C228   C     0.57757   0.60502   0.39340   0.00000  Uiso   1.00
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N50    N     0.88395   0.56272   0.16495   0.00000  Uiso   1.00
N51    N     0.85959   0.54880   0.12570   0.00000  Uiso   1.00
N52    N     0.55216   0.57002   0.08163   0.00000  Uiso   1.00
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N54    N     0.51307   0.56006   0.05723   0.00000  Uiso   1.00
C263   C     0.90753   0.55577   0.15366   0.00000  Uiso   1.00
C266   C     0.88490   0.54223   0.11551   0.00000  Uiso   1.00
C268   C     0.53912   0.55928   0.06039   0.00000  Uiso   1.00
H182   H     0.61669   0.52675   0.02299   0.00000  Uiso   1.00
H183   H     0.59137   0.55352   0.05790   0.00000  Uiso   1.00
H184   H     0.51723   0.54100   0.01553   0.00000  Uiso   1.00
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H208   H     0.84232   0.56779   0.16039   0.00000  Uiso   1.00
H209   H     0.92877   0.52846   0.08658   0.00000  Uiso   1.00
H211   H     0.54664   0.59338   0.11608   0.00000  Uiso   1.00
H212   H     0.84228   0.53083   0.08060   0.00000  Uiso   1.00
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H233   H     0.91072   0.57547   0.20463   0.00000  Uiso   1.00
H234   H     0.96100   0.54300   0.13800   0.00000  Uiso   1.00
H243   H     0.99097   0.61043   0.35490   0.00000  Uiso   1.00
H244   H     0.98108   0.56657   0.33681   0.00000  Uiso   1.00
H245   H     0.99735   0.55340   0.29048   0.00000  Uiso   1.00
H246   H     0.93228   0.53843   0.00379   0.00000  Uiso   1.00
H247   H     0.84773   0.52132   0.03094   0.00000  Uiso   1.00
C290   C     0.93207   0.55855   0.16868   0.00000  Uiso   1.00
C291   C     0.98010   0.56948   0.19867   0.00000  Uiso   1.00
C296   C     0.89089   0.51901   0.03144   0.00000  Uiso   1.00
C314   C     0.55288   0.54698   0.03860   0.00000  Uiso   1.00
C315   C     0.88577   0.53320   0.08831   0.00000  Uiso   1.00
C318   C     0.89475   0.51452   0.00334   0.00000  Uiso   1.00
C342   C     0.99961   0.60576   0.33620   0.00000  Uiso   1.00
C344   C     0.99453   0.57983   0.32517   0.00000  Uiso   1.00
C350   C     0.86536   0.52294   0.04357   0.00000  Uiso   1.00
C389   C     0.59576   0.53118   0.01919   0.00000  Uiso   1.00
C397   C     0.91369   0.52227   0.04816   0.00000  Uiso   1.00
C399   C     0.58192   0.54511   0.03951   0.00000  Uiso   1.00
C402   C     0.91065   0.52958   0.07469   0.00000  Uiso   1.00
C415   C     0.53915   0.53967   0.01585   0.00000  Uiso   1.00
C419   C     0.95388   0.57513   0.20903   0.00000  Uiso   1.00
C423   C     0.86264   0.52947   0.07138   0.00000  Uiso   1.00
C424   C     0.92973   0.56909   0.19577   0.00000  Uiso   1.00
C433   C     0.95795   0.55297   0.15750   0.00000  Uiso   1.00
C439   C     0.98230   0.55688   0.17219   0.00000  Uiso   1.00
C443   C     0.86049   0.56036   0.15058   0.00000  Uiso   1.00
C444   C     0.53576   0.58333   0.09937   0.00000  Uiso   1.00
N61    N     0.50540   0.60463   0.21695   0.00000  Uiso   1.00
C445   C     0.50209   0.61264   0.19226   0.00000  Uiso   1.00
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H288   H     0.52468   0.64628   0.44858   0.00000  Uiso   1.00
H294   H     0.52050   0.61041   0.26534   0.00000  Uiso   1.00
H295   H     0.52299   0.60150   0.31137   0.00000  Uiso   1.00
H296   H     0.52177   0.52639   0.43346   0.00000  Uiso   1.00
H300   H     0.51273   0.63072   0.18376   0.00000  Uiso   1.00
H302   H     0.50207   0.56386   0.41762   0.00000  Uiso   1.00
C454   C     0.50058   0.53784   0.38063   0.00000  Uiso   1.00
C455   C     0.50009   0.51318   0.39548   0.00000  Uiso   1.00
C461   C     0.51019   0.64359   0.43037   0.00000  Uiso   1.00
C465   C     0.51079   0.58722   0.29881   0.00000  Uiso   1.00
C469   C     0.50147   0.56247   0.39500   0.00000  Uiso   1.00
C470   C     0.50753   0.59336   0.27105   0.00000  Uiso   1.00
C471   C     0.50973   0.51119   0.42243   0.00000  Uiso   1.00
C473   C     0.50882   0.61739   0.41890   0.00000  Uiso   1.00
H361   H     0.93549   0.50705   0.31771   0.00000  Uiso   1.00
H362   H     0.92527   0.55392   0.31279   0.00000  Uiso   1.00
H363   H     0.91095   0.58318   0.35121   0.00000  Uiso   1.00
H364   H     0.90599   0.55988   0.39786   0.00000  Uiso   1.00
H365   H     0.91672   0.51340   0.40456   0.00000  Uiso   1.00
C516   C     0.92789   0.50562   0.36067   0.00000  Uiso   1.00
C550   C     0.93044   0.51794   0.33543   0.00000  Uiso   1.00
C552   C     0.92299   0.54578   0.33257   0.00000  Uiso   1.00
C554   C     0.91506   0.56171   0.35584   0.00000  Uiso   1.00
C556   C     0.91289   0.54832   0.38089   0.00000  Uiso   1.00
C558   C     0.91956   0.52080   0.38329   0.00000  Uiso   1.00
H430   H     0.98612   0.51171   0.39544   0.00000  Uiso   1.00
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H472   H     0.92803   0.52402   0.47134   0.00000  Uiso   1.00
H473   H     0.95204   0.56869   0.45953   0.00000  Uiso   1.00
H476   H     0.99346   0.64356   0.45613   0.00000  Uiso   1.00
C711   C     0.99163   0.55237   0.46292   0.00000  Uiso   1.00
C713   C     0.96416   0.50208   0.47484   0.00000  Uiso   1.00
C732   C     0.94957   0.52616   0.47092   0.00000  Uiso   1.00
C734   C     0.96283   0.55093   0.46340   0.00000  Uiso   1.00
C739   C     0.99231   0.50491   0.47213   0.00000  Uiso   1.00
H669   H     0.99740   0.50345   0.04889   0.00000  Uiso   1.00
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H43    H     0.42047   0.42375   0.88535   0.00000  Uiso   1.00
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H110   H     0.48811   0.46253   0.56319   0.00000  Uiso   1.00
H136   H     0.45300   0.45950   0.98953   0.00000  Uiso   1.00
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C101   C     0.41497   0.42707   0.96420   0.00000  Uiso   1.00
C119   C     0.41314   0.43740   0.99139   0.00000  Uiso   1.00
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C137   C     0.42071   0.42436   0.54502   0.00000  Uiso   1.00
C139   C     0.43532   0.41867   0.56892   0.00000  Uiso   1.00
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C144   C     0.39128   0.42602   0.94756   0.00000  Uiso   1.00
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C186   C     0.39421   0.42392   0.91911   0.00000  Uiso   1.00
C188   C     0.44345   0.42469   0.92439   0.00000  Uiso   1.00
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N59    N     0.28937   0.39654   0.97515   0.00000  Uiso   1.00
H217   H     0.34953   0.46767   0.99338   0.00000  Uiso   1.00
H266   H     0.31808   0.41435   0.94641   0.00000  Uiso   1.00
C441   C     0.31078   0.41157   0.96805   0.00000  Uiso   1.00
C442   C     0.27918   0.40080   0.99905   0.00000  Uiso   1.00
H378   H     0.05517   0.49314   0.79696   0.00000  Uiso   1.00
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H384   H     0.02838   0.49970   0.76637   0.00000  Uiso   1.00
H390   H     0.02140   0.49234   0.88573   0.00000  Uiso   1.00
H396   H     0.16010   0.46140   0.56182   0.00000  Uiso   1.00
H398   H     0.08417   0.46253   0.52238   0.00000  Uiso   1.00
H399   H     0.18551   0.49117   0.56710   0.00000  Uiso   1.00
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H409   H     0.09973   0.47914   0.62981   0.00000  Uiso   1.00
H410   H     0.04510   0.42486   0.59128   0.00000  Uiso   1.00
H411   H     0.07774   0.42100   0.55261   0.00000  Uiso   1.00
H421   H     0.10960   0.49966   0.96897   0.00000  Uiso   1.00
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N86    N     0.03328   0.48742   0.98157   0.00000  Uiso   1.00
N87    N     0.02585   0.48929   0.93506   0.00000  Uiso   1.00
N88    N     0.02737   0.44012   0.63381   0.00000  Uiso   1.00
N89    N     0.01234   0.46100   0.67373   0.00000  Uiso   1.00
N90    N     0.05402   0.47398   0.65415   0.00000  Uiso   1.00
C589   C     0.03555   0.47561   0.67376   0.00000  Uiso   1.00
C590   C     0.06000   0.49224   0.97554   0.00000  Uiso   1.00
C591   C     0.05183   0.49484   0.93034   0.00000  Uiso   1.00
C592   C     0.04812   0.45699   0.63387   0.00000  Uiso   1.00
C596   C     0.01654   0.48602   0.96038   0.00000  Uiso   1.00
C599   C     0.00901   0.44318   0.65375   0.00000  Uiso   1.00
C601   C     0.18730   0.48904   0.52325   0.00000  Uiso   1.00
C606   C     0.06716   0.45526   0.61232   0.00000  Uiso   1.00
C608   C     0.10643   0.45129   0.56934   0.00000  Uiso   1.00
C616   C     0.07850   0.49258   0.99688   0.00000  Uiso   1.00
C618   C     0.12057   0.45881   0.54435   0.00000  Uiso   1.00
C621   C     0.16110   0.47705   0.52099   0.00000  Uiso   1.00
C622   C     0.04309   0.49284   0.69647   0.00000  Uiso   1.00
C634   C     0.04211   0.49768   0.88148   0.00000  Uiso   1.00
C636   C     0.02787   0.49374   0.72125   0.00000  Uiso   1.00
C642   C     0.11216   0.46679   0.59290   0.00000  Uiso   1.00
C646   C     0.10541   0.49625   0.98979   0.00000  Uiso   1.00
C648   C     0.09313   0.46834   0.61344   0.00000  Uiso   1.00
C650   C     0.10553   0.46434   0.52120   0.00000  Uiso   1.00
C653   C     0.06367   0.43677   0.59036   0.00000  Uiso   1.00
C663   C     0.14916   0.46612   0.54424   0.00000  Uiso   1.00
C665   C     0.08360   0.43527   0.56974   0.00000  Uiso   1.00
C667   C     0.19682   0.49587   0.54881   0.00000  Uiso   1.00
C671   C     0.20176   0.49599   0.50011   0.00000  Uiso   1.00
N142   N     0.29626   0.41867   0.85309   0.00000  Uiso   1.00
N143   N     0.32760   0.40926   0.82017   0.00000  Uiso   1.00
N144   N     0.31670   0.37549   0.84981   0.00000  Uiso   1.00
C862   C     0.30107   0.39384   0.86245   0.00000  Uiso   1.00
H545   H     0.12027   0.39718   0.96862   0.00000  Uiso   1.00
H546   H     0.08739   0.35805   0.97917   0.00000  Uiso   1.00
H547   H     0.11068   0.31008   0.98267   0.00000  Uiso   1.00
H548   H     0.16038   0.30503   0.97861   0.00000  Uiso   1.00
H549   H     0.23283   0.40001   0.92431   0.00000  Uiso   1.00
H550   H     0.26190   0.42083   0.88851   0.00000  Uiso   1.00
H551   H     0.30714   0.34333   0.88679   0.00000  Uiso   1.00
H552   H     0.27640   0.32579   0.91870   0.00000  Uiso   1.00
H585   H     0.30857   0.44838   0.82375   0.00000  Uiso   1.00
H586   H     0.34478   0.37364   0.81713   0.00000  Uiso   1.00
H588   H     0.27193   0.33260   0.96487   0.00000  Uiso   1.00
H594   H     0.20077   0.36783   0.93244   0.00000  Uiso   1.00
H616   H     0.16904   0.38941   0.96511   0.00000  Uiso   1.00
C872   C     0.28634   0.38385   0.88342   0.00000  Uiso   1.00
C879   C     0.23577   0.32231   0.98692   0.00000  Uiso   1.00
C880   C     0.25278   0.36210   0.92498   0.00000  Uiso   1.00
C882   C     0.19383   0.34254   0.96839   0.00000  Uiso   1.00
C884   C     0.16621   0.34667   0.96970   0.00000  Uiso   1.00
C885   C     0.23729   0.35067   0.94611   0.00000  Uiso   1.00
C903   C     0.12773   0.37740   0.97177   0.00000  Uiso   1.00
C906   C     0.20712   0.32646   0.98790   0.00000  Uiso   1.00
C913   C     0.21010   0.35443   0.94710   0.00000  Uiso   1.00
C918   C     0.25050   0.33487   0.96590   0.00000  Uiso   1.00
C919   C     0.15486   0.37287   0.96841   0.00000  Uiso   1.00
C921   C     0.29072   0.35684   0.89182   0.00000  Uiso   1.00
C930   C     0.25039   0.38852   0.91561   0.00000  Uiso   1.00
C934   C     0.11010   0.35527   0.97780   0.00000  Uiso   1.00
C944   C     0.15077   0.32516   0.97630   0.00000  Uiso   1.00
C946   C     0.12184   0.32817   0.97887   0.00000  Uiso   1.00
C952   C     0.26585   0.39976   0.89543   0.00000  Uiso   1.00
C954   C     0.27227   0.34594   0.91135   0.00000  Uiso   1.00
C967   C     0.33119   0.38546   0.83013   0.00000  Uiso   1.00
C968   C     0.30982   0.42631   0.83007   0.00000  Uiso   1.00
H671   H     0.38356   0.48113   0.55240   0.00000  Uiso   1.00
H674   H     0.34577   0.45590   0.53926   0.00000  Uiso   1.00
H675   H     0.31982   0.41769   0.51683   0.00000  Uiso   1.00
H686   H     0.43921   0.47757   0.62221   0.00000  Uiso   1.00
H687   H     0.41883   0.48131   0.57558   0.00000  Uiso   1.00
C1007  C     0.36948   0.49945   0.51363   0.00000  Uiso   1.00
C1013  C     0.35857   0.47458   0.50183   0.00000  Uiso   1.00
C1051  C     0.38163   0.49911   0.53934   0.00000  Uiso   1.00
C1052  C     0.34775   0.45378   0.51754   0.00000  Uiso   1.00
C1054  C     0.33382   0.43182   0.50542   0.00000  Uiso   1.00
C1079  C     0.42854   0.49483   0.61405   0.00000  Uiso   1.00
C1081  C     0.41662   0.49777   0.58824   0.00000  Uiso   1.00
H738   H     0.23220   0.49525   0.86397   0.00000  Uiso   1.00
H741   H     0.16263   0.45303   0.87612   0.00000  Uiso   1.00
H743   H     0.01283   0.46028   0.52701   0.00000  Uiso   1.00
H750   H     0.03759   0.42490   0.51697   0.00000  Uiso   1.00
N184   N     0.19040   0.48511   0.88394   0.00000  Uiso   1.00
N185   N     0.15220   0.47498   0.91202   0.00000  Uiso   1.00
C1098  C     0.16802   0.47040   0.88953   0.00000  Uiso   1.00
C1099  C     0.15999   0.49494   0.92786   0.00000  Uiso   1.00
C1132  C     0.00279   0.40785   0.54011   0.00000  Uiso   1.00
C1154  C     0.00211   0.45908   0.54551   0.00000  Uiso   1.00
C1172  C     0.02264   0.40838   0.51920   0.00000  Uiso   1.00
C1174  C     0.02465   0.38445   0.50240   0.00000  Uiso   1.00
C1176  C     0.00748   0.36123   0.50364   0.00000  Uiso   1.00
N193   N     0.43274   0.46903   0.76490   0.00000  Uiso   1.00
N194   N     0.42304   0.46967   0.71740   0.00000  Uiso   1.00
N195   N     0.39072   0.48093   0.74922   0.00000  Uiso   1.00
N199   N     0.23719   0.48722   0.98729   0.00000  Uiso   1.00
N200   N     0.19596   0.46515   0.98724   0.00000  Uiso   1.00
N201   N     0.22692   0.45485   0.95398   0.00000  Uiso   1.00
N202   N     0.13857   0.45163   0.66948   0.00000  Uiso   1.00
N203   N     0.15496   0.45589   0.71355   0.00000  Uiso   1.00
N204   N     0.11093   0.44092   0.70552   0.00000  Uiso   1.00
C1201  C     0.39840   0.47890   0.72351   0.00000  Uiso   1.00
C1203  C     0.43930   0.46522   0.73872   0.00000  Uiso   1.00
C1205  C     0.40724   0.47614   0.77032   0.00000  Uiso   1.00
C1206  C     0.24452   0.47135   0.96561   0.00000  Uiso   1.00
C1207  C     0.15806   0.45774   0.68645   0.00000  Uiso   1.00
C1208  C     0.13071   0.44837   0.72234   0.00000  Uiso   1.00
H761   H     0.40136   0.46644   0.67108   0.00000  Uiso   1.00
H762   H     0.36546   0.46883   0.63836   0.00000  Uiso   1.00
H763   H     0.27237   0.45606   0.56425   0.00000  Uiso   1.00
H764   H     0.27979   0.46200   0.51338   0.00000  Uiso   1.00
H767   H     0.24597   0.48049   0.69592   0.00000  Uiso   1.00
H768   H     0.20545   0.47294   0.71466   0.00000  Uiso   1.00
H769   H     0.17092   0.46374   0.63335   0.00000  Uiso   1.00
H770   H     0.21785   0.47643   0.61645   0.00000  Uiso   1.00
H772   H     0.25212   0.47616   0.60087   0.00000  Uiso   1.00
H774   H     0.42272   0.49623   0.89195   0.00000  Uiso   1.00
H775   H     0.33989   0.47174   0.88064   0.00000  Uiso   1.00
H777   H     0.34624   0.48545   0.84019   0.00000  Uiso   1.00
H778   H     0.35686   0.48726   0.79236   0.00000  Uiso   1.00
H779   H     0.43899   0.46144   0.81324   0.00000  Uiso   1.00
H780   H     0.42784   0.46170   0.86082   0.00000  Uiso   1.00
H781   H     0.30737   0.45600   0.89981   0.00000  Uiso   1.00
H782   H     0.26634   0.44520   0.92485   0.00000  Uiso   1.00
H789   H     0.40693   0.49493   0.97531   0.00000  Uiso   1.00
H790   H     0.28514   0.47837   0.68164   0.00000  Uiso   1.00
H792   H     0.18887   0.43587   0.95846   0.00000  Uiso   1.00
H793   H     0.09833   0.43598   0.66603   0.00000  Uiso   1.00
H794   H     0.33554   0.49190   0.61140   0.00000  Uiso   1.00
H796   H     0.16343   0.40235   0.82500   0.00000  Uiso   1.00
H797   H     0.08887   0.43463   0.84862   0.00000  Uiso   1.00
H798   H     0.12636   0.37189   0.89789   0.00000  Uiso   1.00
H799   H     0.08270   0.42584   0.80194   0.00000  Uiso   1.00
H800   H     0.08309   0.43988   0.75184   0.00000  Uiso   1.00
H801   H     0.17012   0.45805   0.76162   0.00000  Uiso   1.00
H802   H     0.16679   0.44637   0.81018   0.00000  Uiso   1.00
H803   H     0.07781   0.35867   0.89487   0.00000  Uiso   1.00
H804   H     0.04016   0.35697   0.92660   0.00000  Uiso   1.00
H805   H     0.01891   0.40057   0.94349   0.00000  Uiso   1.00
H806   H     0.03987   0.44306   0.92812   0.00000  Uiso   1.00
H807   H     0.07927   0.44642   0.89947   0.00000  Uiso   1.00
H808   H     0.19813   0.38440   0.83515   0.00000  Uiso   1.00
H809   H     0.23839   0.35822   0.84947   0.00000  Uiso   1.00
H810   H     0.23245   0.31890   0.87801   0.00000  Uiso   1.00
H811   H     0.18493   0.30734   0.89736   0.00000  Uiso   1.00
H812   H     0.14566   0.33894   0.88598   0.00000  Uiso   1.00
H844   H     0.45656   0.45815   0.69118   0.00000  Uiso   1.00
H845   H     0.48085   0.45359   0.77492   0.00000  Uiso   1.00
C1209  C     0.29592   0.49002   0.57456   0.00000  Uiso   1.00
C1210  C     0.12715   0.42122   0.83395   0.00000  Uiso   1.00
C1211  C     0.35016   0.48913   0.91829   0.00000  Uiso   1.00
C1212  C     0.10348   0.40365   0.87484   0.00000  Uiso   1.00
C1213  C     0.14721   0.38330   0.86075   0.00000  Uiso   1.00
C1215  C     0.12731   0.44595   0.75081   0.00000  Uiso   1.00
C1216  C     0.12546   0.43369   0.80763   0.00000  Uiso   1.00
C1217  C     0.39935   0.47549   0.79827   0.00000  Uiso   1.00
C1218  C     0.07998   0.40259   0.89227   0.00000  Uiso   1.00
C1219  C     0.18300   0.46623   0.67536   0.00000  Uiso   1.00
C1220  C     0.38629   0.47733   0.85438   0.00000  Uiso   1.00
C1221  C     0.16889   0.36434   0.86203   0.00000  Uiso   1.00
C1225  C     0.27130   0.47365   0.95547   0.00000  Uiso   1.00
C1226  C     0.30227   0.49987   0.51767   0.00000  Uiso   1.00
C1228  C     0.32374   0.48377   0.92989   0.00000  Uiso   1.00
C1230  C     0.23681   0.47626   0.65393   0.00000  Uiso   1.00
C1232  C     0.33630   0.49018   0.66664   0.00000  Uiso   1.00
C1233  C     0.26371   0.47666   0.64336   0.00000  Uiso   1.00
C1239  C     0.31362   0.48482   0.64773   0.00000  Uiso   1.00
C1241  C     0.38201   0.48417   0.88179   0.00000  Uiso   1.00
C1243  C     0.29339   0.48518   0.60306   0.00000  Uiso   1.00
C1244  C     0.46667   0.45785   0.73360   0.00000  Uiso   1.00
C1245  C     0.37867   0.48570   0.70383   0.00000  Uiso   1.00
C1247  C     0.23026   0.47593   0.68138   0.00000  Uiso   1.00
C1248  C     0.16554   0.34217   0.87829   0.00000  Uiso   1.00
C1249  C     0.30416   0.46552   0.91866   0.00000  Uiso   1.00
C1250  C     0.10264   0.43833   0.76277   0.00000  Uiso   1.00
C1251  C     0.18736   0.46708   0.64745   0.00000  Uiso   1.00
C1252  C     0.10504   0.42104   0.85238   0.00000  Uiso   1.00
C1254  C     0.27953   0.45934   0.93230   0.00000  Uiso   1.00
C1255  C     0.12481   0.38531   0.88011   0.00000  Uiso   1.00
C1257  C     0.38157   0.47605   0.67667   0.00000  Uiso   1.00
C1258  C     0.15030   0.44870   0.76824   0.00000  Uiso   1.00
C1261  C     0.40263   0.49252   0.89869   0.00000  Uiso   1.00
C1263  C     0.28928   0.49310   0.96484   0.00000  Uiso   1.00
C1265  C     0.21377   0.47446   0.63822   0.00000  Uiso   1.00
C1267  C     0.31572   0.49704   0.95418   0.00000  Uiso   1.00
C1269  C     0.14887   0.44412   0.79546   0.00000  Uiso   1.00
C1270  C     0.36645   0.47986   0.83475   0.00000  Uiso   1.00
C1275  C     0.06925   0.37756   0.90220   0.00000  Uiso   1.00
C1277  C     0.35984   0.47782   0.65767   0.00000  Uiso   1.00
C1280  C     0.04864   0.37681   0.92138   0.00000  Uiso   1.00
C1286  C     0.37219   0.48154   0.80778   0.00000  Uiso   1.00
C1290  C     0.03584   0.40048   0.92951   0.00000  Uiso   1.00
C1291  C     0.20520   0.47111   0.69253   0.00000  Uiso   1.00
C1293  C     0.04792   0.42512   0.92133   0.00000  Uiso   1.00
C1295  C     0.28844   0.47867   0.65944   0.00000  Uiso   1.00
C1297  C     0.06877   0.42631   0.90274   0.00000  Uiso   1.00
C1298  C     0.41881   0.46860   0.81810   0.00000  Uiso   1.00
C1306  C     0.14850   0.40331   0.84095   0.00000  Uiso   1.00
C1308  C     0.19522   0.36886   0.85012   0.00000  Uiso   1.00
C1311  C     0.31663   0.48697   0.61997   0.00000  Uiso   1.00
C1315  C     0.28531   0.47217   0.55450   0.00000  Uiso   1.00
C1317  C     0.28999   0.47627   0.52607   0.00000  Uiso   1.00
C1318  C     0.21841   0.35327   0.85782   0.00000  Uiso   1.00
C1319  C     0.49837   0.45110   0.69892   0.00000  Uiso   1.00
C1320  C     0.35596   0.48070   0.89222   0.00000  Uiso   1.00
C1321  C     0.47219   0.45688   0.70639   0.00000  Uiso   1.00
C1322  C     0.41232   0.46666   0.84593   0.00000  Uiso   1.00
C1323  C     0.21452   0.33241   0.87597   0.00000  Uiso   1.00
C1324  C     0.48518   0.45034   0.75274   0.00000  Uiso   1.00
C1325  C     0.10118   0.43094   0.79124   0.00000  Uiso   1.00
C1327  C     0.26798   0.47942   0.61520   0.00000  Uiso   1.00
C1328  C     0.18832   0.32568   0.88612   0.00000  Uiso   1.00
C1330  C     0.20211   0.45258   0.96500   0.00000  Uiso   1.00
C1331  C     0.21159   0.48468   0.99763   0.00000  Uiso   1.00
C1332  C     0.11494   0.44309   0.67927   0.00000  Uiso   1.00
H864   H     0.45008   0.33898   0.93822   0.00000  Uiso   1.00
H865   H     0.37354   0.33780   0.97157   0.00000  Uiso   1.00
N206   N     0.40935   0.33588   0.95209   0.00000  Uiso   1.00
N208   N     0.40386   0.35206   0.99667   0.00000  Uiso   1.00
N209   N     0.44768   0.35092   0.97867   0.00000  Uiso   1.00
C1333  C     0.43026   0.35696   0.99826   0.00000  Uiso   1.00
C1337  C     0.39481   0.34174   0.97378   0.00000  Uiso   1.00
C1339  C     0.43649   0.34034   0.95571   0.00000  Uiso   1.00
N214   N     0.16228   0.39072   0.65413   0.00000  Uiso   1.00
N215   N     0.18906   0.39945   0.61802   0.00000  Uiso   1.00
N216   N     0.14426   0.38973   0.61150   0.00000  Uiso   1.00
N223   N     0.43983   0.38847   0.68032   0.00000  Uiso   1.00
N224   N     0.48215   0.38234   0.69868   0.00000  Uiso   1.00
N225   N     0.44683   0.39539   0.72607   0.00000  Uiso   1.00
C1366  C     0.16715   0.39770   0.60224   0.00000  Uiso   1.00
C1368  C     0.18603   0.39526   0.64416   0.00000  Uiso   1.00
C1369  C     0.14057   0.38764   0.63785   0.00000  Uiso   1.00
C1372  C     0.42984   0.39449   0.70555   0.00000  Uiso   1.00
H868   H     0.23696   0.40478   0.62887   0.00000  Uiso   1.00
H869   H     0.27616   0.41353   0.65886   0.00000  Uiso   1.00
H870   H     0.34519   0.41922   0.67425   0.00000  Uiso   1.00
H871   H     0.38569   0.39528   0.66902   0.00000  Uiso   1.00
H872   H     0.41076   0.41127   0.75158   0.00000  Uiso   1.00
H873   H     0.36306   0.42463   0.76187   0.00000  Uiso   1.00
H881   H     0.21790   0.41813   0.52775   0.00000  Uiso   1.00
H882   H     0.21044   0.41704   0.57693   0.00000  Uiso   1.00
H883   H     0.12933   0.38577   0.56131   0.00000  Uiso   1.00
H884   H     0.13970   0.38802   0.51324   0.00000  Uiso   1.00
H889   H     0.01490   0.35791   0.63962   0.00000  Uiso   1.00
H891   H     0.04088   0.38742   0.71858   0.00000  Uiso   1.00
H898   H     0.01807   0.42875   0.79545   0.00000  Uiso   1.00
H899   H     0.02457   0.42446   0.74473   0.00000  Uiso   1.00
H900   H     0.04922   0.37561   0.62603   0.00000  Uiso   1.00
H901   H     0.09558   0.37870   0.60813   0.00000  Uiso   1.00
H902   H     0.12436   0.38246   0.69166   0.00000  Uiso   1.00
H903   H     0.07672   0.37968   0.70699   0.00000  Uiso   1.00
H906   H     0.31535   0.49929   0.76135   0.00000  Uiso   1.00
H908   H     0.01333   0.43172   0.87302   0.00000  Uiso   1.00
H909   H     0.33106   0.45444   0.75941   0.00000  Uiso   1.00
H910   H     0.22377   0.40421   0.72766   0.00000  Uiso   1.00
H911   H     0.24354   0.44097   0.74110   0.00000  Uiso   1.00
H912   H     0.47552   0.37644   0.65954   0.00000  Uiso   1.00
H913   H     0.48941   0.38655   0.73765   0.00000  Uiso   1.00
H931   H     0.30425   0.40008   0.69682   0.00000  Uiso   1.00
H934   H     0.18476   0.39405   0.69816   0.00000  Uiso   1.00
H936   H     0.24360   0.45153   0.78264   0.00000  Uiso   1.00
H939   H     0.22862   0.48923   0.81185   0.00000  Uiso   1.00
C1379  C     0.11343   0.38227   0.64896   0.00000  Uiso   1.00
C1380  C     0.34882   0.42645   0.71856   0.00000  Uiso   1.00
C1381  C     0.05905   0.37505   0.66794   0.00000  Uiso   1.00
C1382  C     0.17059   0.40114   0.57390   0.00000  Uiso   1.00
C1384  C     0.27909   0.47239   0.76912   0.00000  Uiso   1.00
C1385  C     0.28618   0.44989   0.75300   0.00000  Uiso   1.00
C1386  C     0.17833   0.40465   0.51851   0.00000  Uiso   1.00
C1387  C     0.25233   0.41235   0.69711   0.00000  Uiso   1.00
C1388  C     0.27201   0.42142   0.71614   0.00000  Uiso   1.00
C1394  C     0.40255   0.40341   0.70927   0.00000  Uiso   1.00
C1401  C     0.03147   0.37544   0.67852   0.00000  Uiso   1.00
C1404  C     0.32090   0.42726   0.72628   0.00000  Uiso   1.00
C1406  C     0.20974   0.39813   0.66072   0.00000  Uiso   1.00
C1411  C     0.09164   0.38009   0.63073   0.00000  Uiso   1.00
C1412  C     0.19900   0.41143   0.53635   0.00000  Uiso   1.00
C1414  C     0.29907   0.41445   0.71287   0.00000  Uiso   1.00
C1415  C     0.20510   0.39739   0.68862   0.00000  Uiso   1.00
C1417  C     0.10828   0.38037   0.67677   0.00000  Uiso   1.00
C1419  C     0.00449   0.41450   0.78398   0.00000  Uiso   1.00
C1420  C     0.08183   0.37734   0.68602   0.00000  Uiso   1.00
C1423  C     0.19497   0.40845   0.56316   0.00000  Uiso   1.00
C1432  C     0.38264   0.40604   0.68845   0.00000  Uiso   1.00
C1434  C     0.00845   0.41139   0.75528   0.00000  Uiso   1.00
C1435  C     0.29647   0.49673   0.77353   0.00000  Uiso   1.00
C1437  C     0.14940   0.39304   0.55577   0.00000  Uiso   1.00
C1444  C     0.02439   0.38446   0.70437   0.00000  Uiso   1.00
C1445  C     0.25703   0.41077   0.66922   0.00000  Uiso   1.00
C1451  C     0.01109   0.36548   0.66007   0.00000  Uiso   1.00
C1454  C     0.15359   0.39435   0.52817   0.00000  Uiso   1.00
C1455  C     0.39498   0.41366   0.73513   0.00000  Uiso   1.00
C1459  C     0.31420   0.44351   0.74833   0.00000  Uiso   1.00
C1460  C     0.22638   0.40403   0.70633   0.00000  Uiso   1.00
C1462  C     0.25579   0.47033   0.78471   0.00000  Uiso   1.00
C1463  C     0.06533   0.37686   0.64090   0.00000  Uiso   1.00
C1464  C     0.35740   0.41790   0.69264   0.00000  Uiso   1.00
C1466  C     0.24694   0.49187   0.80035   0.00000  Uiso   1.00
C1467  C     0.36855   0.42437   0.73993   0.00000  Uiso   1.00
C1468  C     0.26456   0.43700   0.73875   0.00000  Uiso   1.00
C1470  C     0.23575   0.40320   0.65126   0.00000  Uiso   1.00
C1475  C     0.46571   0.38130   0.67782   0.00000  Uiso   1.00
C1480  C     0.47305   0.38749   0.72264   0.00000  Uiso   1.00
N13    N     0.72363   0.44282   0.63714   0.00000  Uiso   1.00
N14    N     0.73938   0.40472   0.61194   0.00000  Uiso   1.00
N15    N     0.70128   0.40090   0.64147   0.00000  Uiso   1.00
C8     C     0.71879   0.39093   0.62234   0.00000  Uiso   1.00
C9     C     0.70418   0.42759   0.64702   0.00000  Uiso   1.00
H3     H     0.74870   0.48301   0.62831   0.00000  Uiso   1.00
H4     H     0.77887   0.41626   0.58353   0.00000  Uiso   1.00
H5     H     0.81467   0.44689   0.56319   0.00000  Uiso   1.00
H9     H     0.85408   0.45924   0.50114   0.00000  Uiso   1.00
H36    H     0.68818   0.43686   0.66023   0.00000  Uiso   1.00
H37    H     0.81658   0.47877   0.53004   0.00000  Uiso   1.00
H39    H     0.71656   0.36921   0.62050   0.00000  Uiso   1.00
C15    C     0.74173   0.43033   0.61904   0.00000  Uiso   1.00
C23    C     0.76159   0.44789   0.60673   0.00000  Uiso   1.00
C26    C     0.80101   0.48242   0.58316   0.00000  Uiso   1.00
C35    C     0.76173   0.47594   0.61369   0.00000  Uiso   1.00
C36    C     0.78049   0.43774   0.58798   0.00000  Uiso   1.00
C45    C     0.80078   0.45408   0.57785   0.00000  Uiso   1.00
C52    C     0.78189   0.49202   0.60205   0.00000  Uiso   1.00
C57    C     0.82733   0.49295   0.54341   0.00000  Uiso   1.00
N31    N     0.69546   0.39404   0.90261   0.00000  Uiso   1.00
N32    N     0.74275   0.39536   0.90274   0.00000  Uiso   1.00
N33    N     0.71893   0.38160   0.86332   0.00000  Uiso   1.00
C74    C     0.71920   0.39855   0.91510   0.00000  Uiso   1.00
H73    H     0.67437   0.42544   0.99142   0.00000  Uiso   1.00
H74    H     0.67862   0.40466   0.94779   0.00000  Uiso   1.00
H75    H     0.76361   0.41582   0.94389   0.00000  Uiso   1.00
H76    H     0.76196   0.43816   0.98801   0.00000  Uiso   1.00
H138   H     0.67771   0.38051   0.86684   0.00000  Uiso   1.00
H141   H     0.76014   0.38635   0.86468   0.00000  Uiso   1.00
C109   C     0.72172   0.40569   0.94316   0.00000  Uiso   1.00
C113   C     0.71919   0.43568   0.99378   0.00000  Uiso   1.00
C174   C     0.69571   0.42268   0.98367   0.00000  Uiso   1.00
C179   C     0.69736   0.40711   0.95812   0.00000  Uiso   1.00
C185   C     0.74558   0.41441   0.95672   0.00000  Uiso   1.00
C190   C     0.74297   0.42964   0.98012   0.00000  Uiso   1.00
C220   C     0.69643   0.38469   0.87728   0.00000  Uiso   1.00
C224   C     0.74123   0.38680   0.87660   0.00000  Uiso   1.00
N46    N     0.75579   0.47754   0.92120   0.00000  Uiso   1.00
N47    N     0.78010   0.46280   0.88450   0.00000  Uiso   1.00
N48    N     0.73304   0.45903   0.88425   0.00000  Uiso   1.00
C262   C     0.75631   0.45623   0.87217   0.00000  Uiso   1.00
C264   C     0.77909   0.47413   0.90812   0.00000  Uiso   1.00
C265   C     0.73261   0.47022   0.90860   0.00000  Uiso   1.00
H172   H     0.82993   0.47502   0.88796   0.00000  Uiso   1.00
H173   H     0.86948   0.49376   0.90632   0.00000  Uiso   1.00
H174   H     0.62252   0.43090   0.95262   0.00000  Uiso   1.00
H175   H     0.55363   0.47865   0.97980   0.00000  Uiso   1.00
H177   H     0.53769   0.44227   0.99275   0.00000  Uiso   1.00
H179   H     0.53080   0.35755   0.97738   0.00000  Uiso   1.00
H180   H     0.57340   0.36119   0.94543   0.00000  Uiso   1.00
H181   H     0.59205   0.40505   0.93593   0.00000  Uiso   1.00
H186   H     0.64007   0.45912   0.91025   0.00000  Uiso   1.00
H187   H     0.68443   0.45542   0.88683   0.00000  Uiso   1.00
H188   H     0.72259   0.48653   0.96095   0.00000  Uiso   1.00
H189   H     0.67743   0.48814   0.98069   0.00000  Uiso   1.00
H190   H     0.73341   0.46880   0.75880   0.00000  Uiso   1.00
H191   H     0.76013   0.43659   0.68338   0.00000  Uiso   1.00
H192   H     0.78919   0.40150   0.75919   0.00000  Uiso   1.00
H193   H     0.69628   0.47580   0.73522   0.00000  Uiso   1.00
H197   H     0.76286   0.48239   0.67622   0.00000  Uiso   1.00
H198   H     0.75185   0.39733   0.67335   0.00000  Uiso   1.00
H199   H     0.76264   0.35324   0.64584   0.00000  Uiso   1.00
H200   H     0.79709   0.32490   0.66110   0.00000  Uiso   1.00
H201   H     0.82197   0.32994   0.70809   0.00000  Uiso   1.00
H202   H     0.81362   0.37342   0.73050   0.00000  Uiso   1.00
H203   H     0.71695   0.43409   0.79408   0.00000  Uiso   1.00
H204   H     0.71455   0.44752   0.83874   0.00000  Uiso   1.00
H205   H     0.80297   0.44360   0.84369   0.00000  Uiso   1.00
H206   H     0.80456   0.43708   0.79663   0.00000  Uiso   1.00
H210   H     0.85419   0.49875   0.99265   0.00000  Uiso   1.00
C274   C     0.58383   0.45039   0.96564   0.00000  Uiso   1.00
C276   C     0.70703   0.47242   0.92226   0.00000  Uiso   1.00
C278   C     0.59239   0.49698   0.98204   0.00000  Uiso   1.00
C279   C     0.65522   0.47216   0.94875   0.00000  Uiso   1.00
C281   C     0.74469   0.45313   0.72077   0.00000  Uiso   1.00
C284   C     0.77658   0.41405   0.71780   0.00000  Uiso   1.00
C287   C     0.63026   0.47171   0.96246   0.00000  Uiso   1.00
C289   C     0.76206   0.43466   0.76255   0.00000  Uiso   1.00
C293   C     0.72948   0.47267   0.70633   0.00000  Uiso   1.00
C297   C     0.80190   0.48834   0.91832   0.00000  Uiso   1.00
C301   C     0.78397   0.38968   0.70270   0.00000  Uiso   1.00
C303   C     0.56916   0.42641   0.96700   0.00000  Uiso   1.00
C304   C     0.75783   0.44719   0.84543   0.00000  Uiso   1.00
C308   C     0.76140   0.43026   0.79147   0.00000  Uiso   1.00
C330   C     0.54628   0.42407   0.98399   0.00000  Uiso   1.00
C337   C     0.67918   0.48250   0.96039   0.00000  Uiso   1.00
C339   C     0.53245   0.39943   0.98758   0.00000  Uiso   1.00
C341   C     0.74164   0.48600   0.68383   0.00000  Uiso   1.00
C347   C     0.76848   0.38319   0.67781   0.00000  Uiso   1.00
C348   C     0.65777   0.46498   0.92125   0.00000  Uiso   1.00
C349   C     0.54129   0.37675   0.97282   0.00000  Uiso   1.00
C352   C     0.77258   0.35917   0.66437   0.00000  Uiso   1.00
C355   C     0.68332   0.46397   0.90833   0.00000  Uiso   1.00
C358   C     0.79221   0.34201   0.67467   0.00000  Uiso   1.00
C359   C     0.62002   0.49455   0.97623   0.00000  Uiso   1.00
C361   C     0.56491   0.37810   0.95586   0.00000  Uiso   1.00
C365   C     0.80692   0.34621   0.69903   0.00000  Uiso   1.00
C367   C     0.82727   0.48522   0.90648   0.00000  Uiso   1.00
C369   C     0.80183   0.37029   0.71190   0.00000  Uiso   1.00
C371   C     0.57723   0.40385   0.95218   0.00000  Uiso   1.00
C376   C     0.73574   0.43402   0.80473   0.00000  Uiso   1.00
C380   C     0.73387   0.44343   0.83093   0.00000  Uiso   1.00
C384   C     0.76024   0.43417   0.70596   0.00000  Uiso   1.00
C387   C     0.78381   0.44157   0.83375   0.00000  Uiso   1.00
C392   C     0.78492   0.43415   0.80694   0.00000  Uiso   1.00
C394   C     0.85027   0.49923   0.91547   0.00000  Uiso   1.00
C395   C     0.57391   0.47663   0.97476   0.00000  Uiso   1.00
C405   C     0.77843   0.41616   0.74677   0.00000  Uiso   1.00
C413   C     0.70571   0.48128   0.94902   0.00000  Uiso   1.00
C429   C     0.74537   0.45423   0.74937   0.00000  Uiso   1.00
C437   C     0.70455   0.48276   0.71645   0.00000  Uiso   1.00
C440   C     0.61209   0.44886   0.96020   0.00000  Uiso   1.00
C482   C     0.87762   0.34587   0.50035   0.00000  Uiso   1.00
H341   H     0.90913   0.44330   0.81441   0.00000  Uiso   1.00
H342   H     0.87843   0.41759   0.89434   0.00000  Uiso   1.00
H343   H     0.94660   0.47141   0.88735   0.00000  Uiso   1.00
H344   H     0.84213   0.40698   0.87142   0.00000  Uiso   1.00
H345   H     0.81124   0.37807   0.84236   0.00000  Uiso   1.00
H346   H     0.82486   0.36040   0.79991   0.00000  Uiso   1.00
H347   H     0.86910   0.37590   0.77800   0.00000  Uiso   1.00
H348   H     0.90115   0.40171   0.80607   0.00000  Uiso   1.00
H349   H     0.96400   0.44103   0.91993   0.00000  Uiso   1.00
H350   H     0.97119   0.43907   0.96726   0.00000  Uiso   1.00
H351   H     0.88452   0.44784   0.98146   0.00000  Uiso   1.00
H352   H     0.87573   0.44503   0.93317   0.00000  Uiso   1.00
H353   H     0.94460   0.44531   0.79670   0.00000  Uiso   1.00
H354   H     0.96816   0.47397   0.76693   0.00000  Uiso   1.00
H374   H     0.87157   0.35326   0.51964   0.00000  Uiso   1.00
C497   C     0.89154   0.42867   0.85196   0.00000  Uiso   1.00
C498   C     0.91438   0.44221   0.89344   0.00000  Uiso   1.00
C500   C     0.92917   0.45973   0.84843   0.00000  Uiso   1.00
C504   C     0.87364   0.41040   0.83962   0.00000  Uiso   1.00
C506   C     0.92937   0.44413   0.97818   0.00000  Uiso   1.00
C507   C     0.91886   0.44367   0.92148   0.00000  Uiso   1.00
C509   C     0.94740   0.47324   0.83193   0.00000  Uiso   1.00
C527   C     0.89698   0.44461   0.94060   0.00000  Uiso   1.00
C530   C     0.95173   0.46475   0.80408   0.00000  Uiso   1.00
C531   C     0.91046   0.44273   0.83683   0.00000  Uiso   1.00
C532   C     0.96734   0.48004   0.78728   0.00000  Uiso   1.00
C538   C     0.96140   0.49715   0.84174   0.00000  Uiso   1.00
C540   C     0.84902   0.40126   0.85101   0.00000  Uiso   1.00
C542   C     0.83019   0.38590   0.83496   0.00000  Uiso   1.00
C548   C     0.83855   0.37512   0.80911   0.00000  Uiso   1.00
C553   C     0.89317   0.42953   0.88093   0.00000  Uiso   1.00
C555   C     0.86429   0.38183   0.79863   0.00000  Uiso   1.00
C564   C     0.88111   0.39896   0.81414   0.00000  Uiso   1.00
C570   C     0.94560   0.44257   0.93229   0.00000  Uiso   1.00
C577   C     0.95028   0.44325   0.96005   0.00000  Uiso   1.00
C579   C     0.93094   0.46034   0.87666   0.00000  Uiso   1.00
C582   C     0.90224   0.44607   0.96842   0.00000  Uiso   1.00
H377   H     0.99216   0.42983   0.65724   0.00000  Uiso   1.00
H395   H     0.99398   0.48996   0.96374   0.00000  Uiso   1.00
N103   N     0.58803   0.48822   0.56190   0.00000  Uiso   1.00
N104   N     0.54232   0.47552   0.55682   0.00000  Uiso   1.00
N105   N     0.57260   0.46847   0.52137   0.00000  Uiso   1.00
N106   N     0.82440   0.42080   0.63865   0.00000  Uiso   1.00
N107   N     0.85345   0.44673   0.61148   0.00000  Uiso   1.00
N108   N     0.84015   0.40404   0.59747   0.00000  Uiso   1.00
C676   C     0.54753   0.46768   0.53160   0.00000  Uiso   1.00
C677   C     0.59257   0.47911   0.53677   0.00000  Uiso   1.00
C678   C     0.82620   0.40152   0.61980   0.00000  Uiso   1.00
H440   H     0.61278   0.48120   0.52763   0.00000  Uiso   1.00
H443   H     0.53048   0.45951   0.51786   0.00000  Uiso   1.00
H447   H     0.80635   0.48272   0.71263   0.00000  Uiso   1.00
H448   H     0.80690   0.44506   0.68005   0.00000  Uiso   1.00
H449   H     0.86462   0.48808   0.63159   0.00000  Uiso   1.00
H459   H     0.81412   0.38313   0.62322   0.00000  Uiso   1.00
H462   H     0.94857   0.40398   0.50132   0.00000  Uiso   1.00
H464   H     0.90141   0.39657   0.51664   0.00000  Uiso   1.00
H465   H     0.86921   0.39052   0.55629   0.00000  Uiso   1.00
H466   H     0.88296   0.47165   0.58328   0.00000  Uiso   1.00
H467   H     0.91013   0.48042   0.54744   0.00000  Uiso   1.00
H486   H     0.51427   0.49064   0.60205   0.00000  Uiso   1.00
C685   C     0.83768   0.44411   0.63367   0.00000  Uiso   1.00
C686   C     0.85478   0.42684   0.59384   0.00000  Uiso   1.00
C692   C     0.56236   0.48655   0.57165   0.00000  Uiso   1.00
C700   C     0.92691   0.44421   0.50464   0.00000  Uiso   1.00
C704   C     0.87238   0.43056   0.57174   0.00000  Uiso   1.00
C706   C     0.90849   0.43930   0.52632   0.00000  Uiso   1.00
C710   C     0.83525   0.46471   0.65356   0.00000  Uiso   1.00
C716   C     0.55628   0.49856   0.59662   0.00000  Uiso   1.00
C725   C     0.81916   0.48430   0.69462   0.00000  Uiso   1.00
C730   C     0.81934   0.46374   0.67656   0.00000  Uiso   1.00
C738   C     0.85235   0.48650   0.65068   0.00000  Uiso   1.00
C740   C     0.89605   0.41354   0.53133   0.00000  Uiso   1.00
C746   C     0.87921   0.40951   0.55415   0.00000  Uiso   1.00
C756   C     0.88666   0.45513   0.56860   0.00000  Uiso   1.00
C763   C     0.90160   0.46055   0.54543   0.00000  Uiso   1.00
H690   H     0.54792   0.49419   0.69390   0.00000  Uiso   1.00
H691   H     0.62414   0.48176   0.72901   0.00000  Uiso   1.00
H696   H     0.56013   0.46469   0.66270   0.00000  Uiso   1.00
H697   H     0.58295   0.45057   0.62432   0.00000  Uiso   1.00
H698   H     0.65885   0.48030   0.65084   0.00000  Uiso   1.00
H700   H     0.58000   0.49810   0.81081   0.00000  Uiso   1.00
H705   H     0.69607   0.43525   0.58911   0.00000  Uiso   1.00
H706   H     0.61885   0.41864   0.55673   0.00000  Uiso   1.00
H707   H     0.82000   0.48736   0.81166   0.00000  Uiso   1.00
H718   H     0.84263   0.45098   0.80525   0.00000  Uiso   1.00
H719   H     0.84518   0.42726   0.76426   0.00000  Uiso   1.00
H720   H     0.90284   0.48401   0.73353   0.00000  Uiso   1.00
H722   H     0.84765   0.38931   0.68985   0.00000  Uiso   1.00
H742   H     0.96475   0.49547   0.59223   0.00000  Uiso   1.00
H744   H     0.97956   0.40991   0.59032   0.00000  Uiso   1.00
H753   H     0.97520   0.34414   0.52846   0.00000  Uiso   1.00
H754   H     0.96983   0.38494   0.55874   0.00000  Uiso   1.00
H755   H     0.95883   0.48311   0.63804   0.00000  Uiso   1.00
H756   H     0.93308   0.47167   0.67671   0.00000  Uiso   1.00
H757   H     0.90459   0.39794   0.63352   0.00000  Uiso   1.00
H758   H     0.93589   0.40785   0.59872   0.00000  Uiso   1.00
N173   N     0.85880   0.41752   0.71793   0.00000  Uiso   1.00
N174   N     0.89508   0.44492   0.70178   0.00000  Uiso   1.00
N175   N     0.88149   0.40720   0.67672   0.00000  Uiso   1.00
N186   N     0.65755   0.42608   0.57122   0.00000  Uiso   1.00
N187   N     0.61958   0.44065   0.59466   0.00000  Uiso   1.00
N188   N     0.66348   0.44975   0.61210   0.00000  Uiso   1.00
C1085  C     0.87701   0.43843   0.72116   0.00000  Uiso   1.00
C1086  C     0.89741   0.42867   0.68012   0.00000  Uiso   1.00
C1092  C     0.63590   0.45020   0.61348   0.00000  Uiso   1.00
C1094  C     0.86138   0.40451   0.69449   0.00000  Uiso   1.00
C1100  C     0.63085   0.42805   0.57359   0.00000  Uiso   1.00
C1101  C     0.67351   0.43587   0.59095   0.00000  Uiso   1.00
C1110  C     0.59463   0.49949   0.75619   0.00000  Uiso   1.00
C1116  C     0.86884   0.48429   0.79237   0.00000  Uiso   1.00
C1119  C     0.59759   0.48256   0.68221   0.00000  Uiso   1.00
C1121  C     0.58693   0.48760   0.70878   0.00000  Uiso   1.00
C1123  C     0.99059   0.48213   0.55887   0.00000  Uiso   1.00
C1125  C     0.99794   0.43234   0.55520   0.00000  Uiso   1.00
C1126  C     0.96715   0.45193   0.59224   0.00000  Uiso   1.00
C1134  C     0.91547   0.43317   0.65917   0.00000  Uiso   1.00
C1135  C     0.94941   0.44697   0.61497   0.00000  Uiso   1.00
C1136  C     0.62330   0.46388   0.63512   0.00000  Uiso   1.00
C1138  C     0.87505   0.45396   0.74493   0.00000  Uiso   1.00
C1143  C     0.60329   0.48929   0.73212   0.00000  Uiso   1.00
C1150  C     0.59535   0.45987   0.63957   0.00000  Uiso   1.00
C1151  C     0.88859   0.49174   0.77422   0.00000  Uiso   1.00
C1157  C     0.98276   0.43047   0.57956   0.00000  Uiso   1.00
C1160  C     0.97535   0.47772   0.58285   0.00000  Uiso   1.00
C1162  C     0.55979   0.49504   0.71182   0.00000  Uiso   1.00
C1164  C     0.88925   0.47824   0.74924   0.00000  Uiso   1.00
C1170  C     0.85576   0.45992   0.78931   0.00000  Uiso   1.00
C1178  C     0.98834   0.36182   0.52665   0.00000  Uiso   1.00
C1180  C     0.98469   0.38431   0.54359   0.00000  Uiso   1.00
C1182  C     0.58204   0.46983   0.66137   0.00000  Uiso   1.00
C1183  C     0.95045   0.46268   0.63842   0.00000  Uiso   1.00
C1185  C     0.93318   0.45662   0.65993   0.00000  Uiso   1.00
C1188  C     0.91756   0.41538   0.63678   0.00000  Uiso   1.00
C1190  C     0.93449   0.42242   0.61563   0.00000  Uiso   1.00
C1192  C     0.62459   0.48938   0.67723   0.00000  Uiso   1.00
C1196  C     0.85755   0.44581   0.76519   0.00000  Uiso   1.00
C1199  C     0.63722   0.47752   0.65566   0.00000  Uiso   1.00
H830   H     0.52194   0.41326   0.67245   0.00000  Uiso   1.00
H831   H     0.60882   0.40303   0.67409   0.00000  Uiso   1.00
H832   H     0.56889   0.44148   0.74315   0.00000  Uiso   1.00
H833   H     0.53318   0.42772   0.63437   0.00000  Uiso   1.00
H834   H     0.52665   0.41418   0.58985   0.00000  Uiso   1.00
H835   H     0.55986   0.37819   0.56807   0.00000  Uiso   1.00
H836   H     0.58983   0.35168   0.59906   0.00000  Uiso   1.00
H837   H     0.58957   0.36719   0.64890   0.00000  Uiso   1.00
H838   H     0.59775   0.42376   0.76296   0.00000  Uiso   1.00
H839   H     0.64338   0.42734   0.78995   0.00000  Uiso   1.00
H840   H     0.68477   0.42707   0.76262   0.00000  Uiso   1.00
H841   H     0.68358   0.41881   0.71141   0.00000  Uiso   1.00
H842   H     0.64369   0.41443   0.68876   0.00000  Uiso   1.00
H843   H     0.50039   0.44703   0.67784   0.00000  Uiso   1.00
H846   H     0.52752   0.44137   0.76062   0.00000  Uiso   1.00
C1235  C     0.56547   0.40630   0.67052   0.00000  Uiso   1.00
C1236  C     0.59102   0.41777   0.71142   0.00000  Uiso   1.00
C1238  C     0.54235   0.42873   0.70868   0.00000  Uiso   1.00
C1240  C     0.56392   0.39920   0.64340   0.00000  Uiso   1.00
C1242  C     0.61664   0.42007   0.72471   0.00000  Uiso   1.00
C1246  C     0.51982   0.44421   0.71659   0.00000  Uiso   1.00
C1294  C     0.58974   0.40710   0.68426   0.00000  Uiso   1.00
C1296  C     0.56695   0.42912   0.72493   0.00000  Uiso   1.00
C1299  C     0.54098   0.41410   0.68435   0.00000  Uiso   1.00
C1300  C     0.54584   0.41155   0.62620   0.00000  Uiso   1.00
C1302  C     0.54312   0.40365   0.59852   0.00000  Uiso   1.00
C1303  C     0.56029   0.38441   0.58833   0.00000  Uiso   1.00
C1305  C     0.57723   0.36820   0.60607   0.00000  Uiso   1.00
C1307  C     0.57798   0.37727   0.63350   0.00000  Uiso   1.00
C1309  C     0.61711   0.42250   0.75345   0.00000  Uiso   1.00
C1310  C     0.64153   0.42644   0.76757   0.00000  Uiso   1.00
C1312  C     0.66576   0.42539   0.75228   0.00000  Uiso   1.00
C1314  C     0.66553   0.42031   0.72391   0.00000  Uiso   1.00
C1316  C     0.64118   0.41736   0.71002   0.00000  Uiso   1.00
C1326  C     0.51231   0.44592   0.74451   0.00000  Uiso   1.00
N220   N     0.97874   0.40642   0.87840   0.00000  Uiso   1.00
N221   N     0.96261   0.38702   0.83834   0.00000  Uiso   1.00
N222   N     0.99905   0.41769   0.83763   0.00000  Uiso   1.00
N226   N     0.90382   0.31872   0.57558   0.00000  Uiso   1.00
N227   N     0.86924   0.28493   0.57656   0.00000  Uiso   1.00
N228   N     0.88733   0.30238   0.61639   0.00000  Uiso   1.00
C1370  C     0.96225   0.39018   0.86515   0.00000  Uiso   1.00
C1371  C     0.98213   0.40188   0.82583   0.00000  Uiso   1.00
C1373  C     0.90246   0.31931   0.60247   0.00000  Uiso   1.00
H890   H     0.95606   0.38824   0.69575   0.00000  Uiso   1.00
H892   H     0.98285   0.36679   0.61253   0.00000  Uiso   1.00
H893   H     0.94708   0.34639   0.58404   0.00000  Uiso   1.00
H894   H     0.90174   0.32597   0.65554   0.00000  Uiso   1.00
H895   H     0.93509   0.35430   0.68234   0.00000  Uiso   1.00
H896   H     0.95175   0.37440   0.74000   0.00000  Uiso   1.00
H897   H     0.95020   0.37656   0.79208   0.00000  Uiso   1.00
H914   H     0.88854   0.39038   0.96023   0.00000  Uiso   1.00
H915   H     0.80373   0.38701   0.95362   0.00000  Uiso   1.00
H916   H     0.85194   0.34141   0.89749   0.00000  Uiso   1.00
H920   H     0.81019   0.46613   0.99528   0.00000  Uiso   1.00
H921   H     0.81136   0.43225   0.96185   0.00000  Uiso   1.00
H922   H     0.81981   0.34257   0.87393   0.00000  Uiso   1.00
H923   H     0.77845   0.31739   0.85636   0.00000  Uiso   1.00
H924   H     0.73921   0.30861   0.88448   0.00000  Uiso   1.00
H925   H     0.73802   0.33036   0.93508   0.00000  Uiso   1.00
H926   H     0.77914   0.35211   0.95059   0.00000  Uiso   1.00
H927   H     0.92554   0.37820   0.94756   0.00000  Uiso   1.00
H928   H     0.96255   0.39131   0.91634   0.00000  Uiso   1.00
H929   H     0.91580   0.36301   0.84731   0.00000  Uiso   1.00
H930   H     0.88120   0.35105   0.87384   0.00000  Uiso   1.00
H932   H     0.88806   0.29927   0.54060   0.00000  Uiso   1.00
H933   H     0.86021   0.27350   0.61713   0.00000  Uiso   1.00
C1376  C     0.98493   0.39965   0.79759   0.00000  Uiso   1.00
C1377  C     0.98967   0.39702   0.73808   0.00000  Uiso   1.00
C1390  C     0.84494   0.39018   0.95930   0.00000  Uiso   1.00
C1392  C     0.82476   0.36190   0.92385   0.00000  Uiso   1.00
C1393  C     0.87378   0.36753   0.92593   0.00000  Uiso   1.00
C1397  C     0.84119   0.40745   0.98190   0.00000  Uiso   1.00
C1398  C     0.98422   0.36899   0.66749   0.00000  Uiso   1.00
C1399  C     0.99819   0.39049   0.71084   0.00000  Uiso   1.00
C1400  C     0.80166   0.34964   0.91332   0.00000  Uiso   1.00
C1402  C     0.94386   0.37561   0.88015   0.00000  Uiso   1.00
C1403  C     0.89866   0.36239   0.91400   0.00000  Uiso   1.00
C1405  C     0.92121   0.33512   0.61707   0.00000  Uiso   1.00
C1408  C     0.96420   0.35843   0.65070   0.00000  Uiso   1.00
C1418  C     0.82243   0.38076   0.94519   0.00000  Uiso   1.00
C1421  C     0.85095   0.35577   0.91420   0.00000  Uiso   1.00
C1424  C     0.87064   0.38268   0.94957   0.00000  Uiso   1.00
C1433  C     0.82292   0.42951   0.97877   0.00000  Uiso   1.00
C1436  C     0.80220   0.33998   0.88680   0.00000  Uiso   1.00
C1438  C     0.78035   0.32594   0.87645   0.00000  Uiso   1.00
C1439  C     0.97792   0.38372   0.69209   0.00000  Uiso   1.00
C1440  C     0.75659   0.32048   0.89348   0.00000  Uiso   1.00
C1442  C     0.75452   0.33202   0.92038   0.00000  Uiso   1.00
C1443  C     0.77906   0.34465   0.92986   0.00000  Uiso   1.00
C1446  C     0.92309   0.37129   0.92588   0.00000  Uiso   1.00
C1448  C     0.94546   0.37888   0.90926   0.00000  Uiso   1.00
C1449  C     0.96691   0.38415   0.78081   0.00000  Uiso   1.00
C1450  C     0.92147   0.36245   0.86851   0.00000  Uiso   1.00
C1452  C     0.89862   0.35669   0.88512   0.00000  Uiso   1.00
C1453  C     0.96533   0.35843   0.62150   0.00000  Uiso   1.00
C1456  C     0.94403   0.34838   0.60543   0.00000  Uiso   1.00
C1461  C     0.92032   0.33592   0.64558   0.00000  Uiso   1.00
C1465  C     0.93893   0.35034   0.66190   0.00000  Uiso   1.00
C1469  C     0.96757   0.38417   0.75209   0.00000  Uiso   1.00
C1473  C     0.88690   0.30156   0.56354   0.00000  Uiso   1.00
C1478  C     0.87053   0.28684   0.60323   0.00000  Uiso   1.00
C1479  C     0.99650   0.42079   0.86373   0.00000  Uiso   1.00
N10    N     0.24655   0.55749   0.73743   0.00000  Uiso   1.00
N11    N     0.20463   0.54107   0.72307   0.00000  Uiso   1.00
N12    N     0.23466   0.55923   0.69224   0.00000  Uiso   1.00
C6     C     0.22297   0.54480   0.74257   0.00000  Uiso   1.00
C7     C     0.25186   0.56326   0.71194   0.00000  Uiso   1.00
H10    H     0.07783   0.55295   0.55856   0.00000  Uiso   1.00
H11    H     0.09901   0.54663   0.63930   0.00000  Uiso   1.00
H12    H     0.16118   0.53844   0.57783   0.00000  Uiso   1.00
H13    H     0.03849   0.53053   0.59200   0.00000  Uiso   1.00
H15    H     0.03229   0.61601   0.64072   0.00000  Uiso   1.00
H16    H     0.07851   0.59722   0.62705   0.00000  Uiso   1.00
H17    H     0.12977   0.51780   0.66297   0.00000  Uiso   1.00
H18    H     0.15818   0.52463   0.70130   0.00000  Uiso   1.00
H19    H     0.21792   0.56163   0.64650   0.00000  Uiso   1.00
H20    H     0.18280   0.56268   0.60885   0.00000  Uiso   1.00
H21    H     0.09031   0.53723   0.51625   0.00000  Uiso   1.00
H23    H     0.17590   0.59516   0.51009   0.00000  Uiso   1.00
H24    H     0.16774   0.56914   0.54950   0.00000  Uiso   1.00
H33    H     0.27101   0.57330   0.70802   0.00000  Uiso   1.00
H34    H     0.21988   0.54189   0.76414   0.00000  Uiso   1.00
C14    C     0.21041   0.54786   0.69803   0.00000  Uiso   1.00
C16    C     0.19087   0.54465   0.67701   0.00000  Uiso   1.00
C17    C     0.15308   0.54115   0.63386   0.00000  Uiso   1.00
C21    C     0.08637   0.55087   0.59926   0.00000  Uiso   1.00
C22    C     0.12791   0.55113   0.53732   0.00000  Uiso   1.00
C24    C     0.06227   0.56162   0.60899   0.00000  Uiso   1.00
C25    C     0.13325   0.53963   0.61299   0.00000  Uiso   1.00
C27    C     0.11996   0.54502   0.56452   0.00000  Uiso   1.00
C32    C     0.00880   0.58307   0.62374   0.00000  Uiso   1.00
C38    C     0.17882   0.55236   0.62977   0.00000  Uiso   1.00
C39    C     0.13977   0.54130   0.58520   0.00000  Uiso   1.00
C41    C     0.14672   0.52971   0.65920   0.00000  Uiso   1.00
C43    C     0.15866   0.58153   0.51011   0.00000  Uiso   1.00
C44    C     0.09345   0.54766   0.57244   0.00000  Uiso   1.00
C46    C     0.15320   0.56511   0.53368   0.00000  Uiso   1.00
C47    C     0.03844   0.54888   0.60239   0.00000  Uiso   1.00
C50    C     0.19769   0.55360   0.65080   0.00000  Uiso   1.00
C51    C     0.01294   0.55878   0.61031   0.00000  Uiso   1.00
C53    C     0.16544   0.53317   0.68129   0.00000  Uiso   1.00
C54    C     0.10965   0.54851   0.51472   0.00000  Uiso   1.00
C56    C     0.10583   0.54460   0.61896   0.00000  Uiso   1.00
C59    C     0.03404   0.59838   0.62736   0.00000  Uiso   1.00
C61    C     0.05972   0.58624   0.62293   0.00000  Uiso   1.00
N25    N     0.42967   0.64214   0.64577   0.00000  Uiso   1.00
N26    N     0.43211   0.63910   0.59793   0.00000  Uiso   1.00
N27    N     0.45510   0.60828   0.62538   0.00000  Uiso   1.00
C72    C     0.44742   0.61671   0.60141   0.00000  Uiso   1.00
H101   H     0.46500   0.50870   0.55967   0.00000  Uiso   1.00
H111   H     0.44070   0.58531   0.51421   0.00000  Uiso   1.00
H112   H     0.43377   0.61978   0.54795   0.00000  Uiso   1.00
H113   H     0.47963   0.57653   0.60535   0.00000  Uiso   1.00
H114   H     0.49232   0.54051   0.57282   0.00000  Uiso   1.00
H132   H     0.44963   0.61427   0.66902   0.00000  Uiso   1.00
H134   H     0.41006   0.66767   0.62051   0.00000  Uiso   1.00
C92    C     0.46884   0.53458   0.52390   0.00000  Uiso   1.00
C99    C     0.45616   0.59981   0.57948   0.00000  Uiso   1.00
C100   C     0.46826   0.55864   0.53919   0.00000  Uiso   1.00
C146   C     0.45281   0.58287   0.53281   0.00000  Uiso   1.00
C148   C     0.44774   0.60289   0.55283   0.00000  Uiso   1.00
C151   C     0.47335   0.57778   0.58481   0.00000  Uiso   1.00
C153   C     0.48099   0.55757   0.56474   0.00000  Uiso   1.00
C214   C     0.46667   0.50996   0.53717   0.00000  Uiso   1.00
C221   C     0.44543   0.61949   0.64801   0.00000  Uiso   1.00
C223   C     0.42266   0.65051   0.62103   0.00000  Uiso   1.00
N43    N     0.27464   0.55797   0.60582   0.00000  Uiso   1.00
N44    N     0.31824   0.57416   0.59635   0.00000  Uiso   1.00
N45    N     0.30492   0.55867   0.63971   0.00000  Uiso   1.00
C233   C     0.32321   0.56843   0.62214   0.00000  Uiso   1.00
C234   C     0.28188   0.55204   0.63196   0.00000  Uiso   1.00
H145   H     0.31322   0.61243   0.51084   0.00000  Uiso   1.00
H146   H     0.32557   0.59167   0.55379   0.00000  Uiso   1.00
H147   H     0.24178   0.56660   0.56535   0.00000  Uiso   1.00
H148   H     0.23221   0.57601   0.51578   0.00000  Uiso   1.00
H161   H     0.26513   0.54657   0.64615   0.00000  Uiso   1.00
H163   H     0.34340   0.57031   0.62923   0.00000  Uiso   1.00
C236   C     0.29241   0.56978   0.58888   0.00000  Uiso   1.00
C240   C     0.27390   0.59095   0.50854   0.00000  Uiso   1.00
C246   C     0.28477   0.57690   0.56225   0.00000  Uiso   1.00
C247   C     0.25252   0.58025   0.52438   0.00000  Uiso   1.00
C249   C     0.30455   0.59027   0.54654   0.00000  Uiso   1.00
C257   C     0.29724   0.60083   0.52162   0.00000  Uiso   1.00
C261   C     0.25805   0.57420   0.55229   0.00000  Uiso   1.00
N55    N     0.04472   0.56693   0.93175   0.00000  Uiso   1.00
N56    N     0.01908   0.57100   0.89100   0.00000  Uiso   1.00
N57    N     0.06424   0.58231   0.89187   0.00000  Uiso   1.00
C269   C     0.02084   0.56463   0.91772   0.00000  Uiso   1.00
C270   C     0.04151   0.58034   0.87910   0.00000  Uiso   1.00
C271   C     0.06674   0.57487   0.91734   0.00000  Uiso   1.00
H167   H     0.01001   0.55447   0.97109   0.00000  Uiso   1.00
H248   H     0.16505   0.54645   0.99734   0.00000  Uiso   1.00
H249   H     0.24325   0.58288   0.99211   0.00000  Uiso   1.00
H250   H     0.17747   0.61715   0.94390   0.00000  Uiso   1.00
H256   H     0.21186   0.61238   0.91348   0.00000  Uiso   1.00
H257   H     0.24115   0.64054   0.88721   0.00000  Uiso   1.00
H258   H     0.28135   0.66284   0.90865   0.00000  Uiso   1.00
H259   H     0.29217   0.65294   0.95686   0.00000  Uiso   1.00
H260   H     0.25625   0.63039   0.98604   0.00000  Uiso   1.00
H261   H     0.15542   0.58831   0.91112   0.00000  Uiso   1.00
H262   H     0.11242   0.58545   0.89288   0.00000  Uiso   1.00
H263   H     0.07934   0.56171   0.96807   0.00000  Uiso   1.00
H264   H     0.12262   0.56663   0.99018   0.00000  Uiso   1.00
H268   H     0.04697   0.56793   0.68925   0.00000  Uiso   1.00
H269   H     0.07507   0.61252   0.75718   0.00000  Uiso   1.00
H270   H     0.00894   0.55765   0.76826   0.00000  Uiso   1.00
H271   H     0.09958   0.57103   0.68930   0.00000  Uiso   1.00
H272   H     0.13973   0.59517   0.67304   0.00000  Uiso   1.00
H273   H     0.14712   0.64287   0.67993   0.00000  Uiso   1.00
H274   H     0.10975   0.67067   0.69802   0.00000  Uiso   1.00
H275   H     0.06759   0.64898   0.71592   0.00000  Uiso   1.00
H278   H     0.08337   0.60008   0.85194   0.00000  Uiso   1.00
H279   H     0.08430   0.59831   0.80086   0.00000  Uiso   1.00
H284   H     0.01809   0.54216   0.67436   0.00000  Uiso   1.00
C298   C     0.20469   0.56611   0.99920   0.00000  Uiso   1.00
C299   C     0.21253   0.60417   0.96821   0.00000  Uiso   1.00
C300   C     0.16990   0.58075   0.96675   0.00000  Uiso   1.00
C305   C     0.23156   0.61927   0.95198   0.00000  Uiso   1.00
C306   C     0.09255   0.57521   0.93005   0.00000  Uiso   1.00
C307   C     0.14522   0.57559   0.95385   0.00000  Uiso   1.00
C310   C     0.06268   0.59109   0.72230   0.00000  Uiso   1.00
C311   C     0.04158   0.58441   0.76628   0.00000  Uiso   1.00
C313   C     0.02300   0.56286   0.72540   0.00000  Uiso   1.00
C317   C     0.08071   0.60738   0.70580   0.00000  Uiso   1.00
C319   C     0.04158   0.58767   0.85185   0.00000  Uiso   1.00
C320   C     0.04116   0.59203   0.79502   0.00000  Uiso   1.00
C357   C     0.22149   0.58450   0.98569   0.00000  Uiso   1.00
C360   C     0.18501   0.60359   0.95973   0.00000  Uiso   1.00
C363   C     0.17831   0.56237   0.98854   0.00000  Uiso   1.00
C375   C     0.22883   0.62170   0.92376   0.00000  Uiso   1.00
C377   C     0.24605   0.63842   0.90926   0.00000  Uiso   1.00
C379   C     0.26844   0.65071   0.92141   0.00000  Uiso   1.00
C381   C     0.27335   0.64493   0.94905   0.00000  Uiso   1.00
C383   C     0.25461   0.62887   0.96400   0.00000  Uiso   1.00
C386   C     0.14111   0.58379   0.92667   0.00000  Uiso   1.00
C388   C     0.11579   0.58197   0.91454   0.00000  Uiso   1.00
C391   C     0.09691   0.56673   0.95724   0.00000  Uiso   1.00
C393   C     0.12198   0.56773   0.96780   0.00000  Uiso   1.00
C404   C     0.06091   0.59670   0.74983   0.00000  Uiso   1.00
C406   C     0.02325   0.56737   0.75390   0.00000  Uiso   1.00
C409   C     0.04403   0.57294   0.71049   0.00000  Uiso   1.00
C410   C     0.10030   0.59374   0.69063   0.00000  Uiso   1.00
C412   C     0.12486   0.60632   0.68142   0.00000  Uiso   1.00
C414   C     0.12806   0.63393   0.68589   0.00000  Uiso   1.00
C416   C     0.10618   0.64924   0.69662   0.00000  Uiso   1.00
C417   C     0.08376   0.63593   0.70671   0.00000  Uiso   1.00
C420   C     0.01667   0.59029   0.80886   0.00000  Uiso   1.00
C422   C     0.01725   0.58448   0.83684   0.00000  Uiso   1.00
C425   C     0.06558   0.59594   0.83853   0.00000  Uiso   1.00
C427   C     0.06451   0.59781   0.81038   0.00000  Uiso   1.00
C438   C     0.00110   0.54331   0.68709   0.00000  Uiso   1.00
H379   H     0.10790   0.54002   0.74822   0.00000  Uiso   1.00
H380   H     0.11602   0.54384   0.83569   0.00000  Uiso   1.00
H381   H     0.10217   0.51551   0.72012   0.00000  Uiso   1.00
H382   H     0.08252   0.50245   0.67824   0.00000  Uiso   1.00
H385   H     0.14856   0.57185   0.83132   0.00000  Uiso   1.00
H386   H     0.17680   0.60832   0.82351   0.00000  Uiso   1.00
H387   H     0.15757   0.61180   0.74074   0.00000  Uiso   1.00
H388   H     0.12651   0.57333   0.74614   0.00000  Uiso   1.00
H389   H     0.03541   0.50202   0.83763   0.00000  Uiso   1.00
H391   H     0.10209   0.50973   0.91235   0.00000  Uiso   1.00
H392   H     0.11627   0.51960   0.86872   0.00000  Uiso   1.00
H393   H     0.20951   0.67044   0.72572   0.00000  Uiso   1.00
H394   H     0.23339   0.66908   0.80457   0.00000  Uiso   1.00
H400   H     0.23481   0.50568   0.56972   0.00000  Uiso   1.00
H401   H     0.25885   0.52153   0.52662   0.00000  Uiso   1.00
N91    N     0.19009   0.64295   0.75105   0.00000  Uiso   1.00
N92    N     0.22393   0.67408   0.76429   0.00000  Uiso   1.00
N93    N     0.20471   0.64160   0.79498   0.00000  Uiso   1.00
C594   C     0.18797   0.63433   0.77592   0.00000  Uiso   1.00
C595   C     0.20767   0.66265   0.74633   0.00000  Uiso   1.00
C597   C     0.22158   0.66192   0.78872   0.00000  Uiso   1.00
C602   C     0.07947   0.51844   0.76965   0.00000  Uiso   1.00
C604   C     0.16945   0.61235   0.78104   0.00000  Uiso   1.00
C607   C     0.11699   0.54549   0.79078   0.00000  Uiso   1.00
C609   C     0.13293   0.56862   0.78975   0.00000  Uiso   1.00
C613   C     0.06025   0.50028   0.90321   0.00000  Uiso   1.00
C614   C     0.08705   0.51627   0.82012   0.00000  Uiso   1.00
C617   C     0.07769   0.51024   0.84747   0.00000  Uiso   1.00
C624   C     0.06668   0.51024   0.74519   0.00000  Uiso   1.00
C625   C     0.10270   0.53503   0.76832   0.00000  Uiso   1.00
C627   C     0.05035   0.50222   0.85349   0.00000  Uiso   1.00
C630   C     0.10814   0.53515   0.81627   0.00000  Uiso   1.00
C638   C     0.14689   0.58093   0.81201   0.00000  Uiso   1.00
C640   C     0.08662   0.50764   0.89658   0.00000  Uiso   1.00
C643   C     0.15322   0.60330   0.76052   0.00000  Uiso   1.00
C645   C     0.09497   0.51371   0.86956   0.00000  Uiso   1.00
C647   C     0.07207   0.50843   0.79650   0.00000  Uiso   1.00
C655   C     0.22409   0.50466   0.54998   0.00000  Uiso   1.00
C657   C     0.08067   0.51191   0.72075   0.00000  Uiso   1.00
C659   C     0.04019   0.50021   0.74717   0.00000  Uiso   1.00
C661   C     0.23893   0.51104   0.52539   0.00000  Uiso   1.00
C664   C     0.13583   0.58189   0.76378   0.00000  Uiso   1.00
C668   C     0.16409   0.60178   0.80687   0.00000  Uiso   1.00
C669   C     0.06936   0.50220   0.69647   0.00000  Uiso   1.00
N100   N     0.47222   0.69872   0.69099   0.00000  Uiso   1.00
N101   N     0.46126   0.68961   0.73662   0.00000  Uiso   1.00
N102   N     0.45193   0.73198   0.71858   0.00000  Uiso   1.00
C674   C     0.44966   0.71366   0.73885   0.00000  Uiso   1.00
C675   C     0.46338   0.72338   0.69482   0.00000  Uiso   1.00
H436   H     0.46254   0.73675   0.67646   0.00000  Uiso   1.00
H437   H     0.47448   0.64007   0.74699   0.00000  Uiso   1.00
H438   H     0.44308   0.72081   0.75741   0.00000  Uiso   1.00
H442   H     0.49401   0.59309   0.73510   0.00000  Uiso   1.00
H484   H     0.00385   0.65317   0.72340   0.00000  Uiso   1.00
H485   H     0.49014   0.66468   0.66646   0.00000  Uiso   1.00
C687   C     0.47109   0.68190   0.71260   0.00000  Uiso   1.00
C720   C     0.48204   0.65632   0.70827   0.00000  Uiso   1.00
C733   C     0.48196   0.63554   0.72792   0.00000  Uiso   1.00
C751   C     0.49322   0.60974   0.72141   0.00000  Uiso   1.00
C758   C     0.49120   0.65018   0.68292   0.00000  Uiso   1.00
H644   H     0.21557   0.68376   0.99856   0.00000  Uiso   1.00
H645   H     0.16796   0.66125   0.99342   0.00000  Uiso   1.00
H673   H     0.39587   0.56504   0.54851   0.00000  Uiso   1.00
H681   H     0.36825   0.64275   0.51196   0.00000  Uiso   1.00
H682   H     0.37097   0.59855   0.53737   0.00000  Uiso   1.00
H683   H     0.38738   0.55975   0.59394   0.00000  Uiso   1.00
H684   H     0.40952   0.55559   0.63961   0.00000  Uiso   1.00
H685   H     0.43176   0.51506   0.65337   0.00000  Uiso   1.00
C1008  C     0.37729   0.54908   0.51350   0.00000  Uiso   1.00
C1009  C     0.39116   0.52232   0.55215   0.00000  Uiso   1.00
C1016  C     0.37377   0.57422   0.50045   0.00000  Uiso   1.00
C1019  C     0.40239   0.52030   0.57853   0.00000  Uiso   1.00
C1045  C     0.36797   0.52535   0.50139   0.00000  Uiso   1.00
C1048  C     0.38939   0.54704   0.53881   0.00000  Uiso   1.00
C1068  C     0.36982   0.62311   0.50281   0.00000  Uiso   1.00
C1070  C     0.37131   0.59776   0.51634   0.00000  Uiso   1.00
C1073  C     0.39866   0.54115   0.59794   0.00000  Uiso   1.00
C1075  C     0.40958   0.53885   0.62569   0.00000  Uiso   1.00
C1077  C     0.42493   0.51649   0.63290   0.00000  Uiso   1.00
H693   H     0.46887   0.53644   0.69953   0.00000  Uiso   1.00
H694   H     0.47291   0.52685   0.78472   0.00000  Uiso   1.00
H704   H     0.38755   0.55660   0.70900   0.00000  Uiso   1.00
H725   H     0.30570   0.53814   0.85674   0.00000  Uiso   1.00
H726   H     0.37773   0.57309   0.89432   0.00000  Uiso   1.00
H727   H     0.30847   0.55442   0.94235   0.00000  Uiso   1.00
H728   H     0.39690   0.54403   0.86369   0.00000  Uiso   1.00
H729   H     0.42206   0.53929   0.82159   0.00000  Uiso   1.00
H730   H     0.34276   0.55312   0.77862   0.00000  Uiso   1.00
H731   H     0.32262   0.56103   0.82357   0.00000  Uiso   1.00
H732   H     0.40028   0.57455   0.93128   0.00000  Uiso   1.00
H733   H     0.41907   0.59867   0.96918   0.00000  Uiso   1.00
H735   H     0.31998   0.59051   0.96275   0.00000  Uiso   1.00
H736   H     0.26732   0.55598   0.93757   0.00000  Uiso   1.00
H737   H     0.21968   0.53757   0.94110   0.00000  Uiso   1.00
H739   H     0.28275   0.50617   0.86475   0.00000  Uiso   1.00
H740   H     0.14670   0.50129   0.94381   0.00000  Uiso   1.00
H745   H     0.03732   0.50857   0.54105   0.00000  Uiso   1.00
H746   H     0.04096   0.55519   0.52111   0.00000  Uiso   1.00
H747   H     0.00039   0.58533   0.52692   0.00000  Uiso   1.00
N180   N     0.42576   0.54573   0.72350   0.00000  Uiso   1.00
N181   N     0.42663   0.54034   0.77076   0.00000  Uiso   1.00
N182   N     0.38590   0.54971   0.74819   0.00000  Uiso   1.00
N183   N     0.18270   0.50926   0.92505   0.00000  Uiso   1.00
C1088  C     0.43939   0.54085   0.74640   0.00000  Uiso   1.00
C1089  C     0.39904   0.54413   0.77077   0.00000  Uiso   1.00
C1090  C     0.19885   0.50208   0.90407   0.00000  Uiso   1.00
C1097  C     0.39938   0.55087   0.72570   0.00000  Uiso   1.00
C1105  C     0.34435   0.55519   0.87061   0.00000  Uiso   1.00
C1106  C     0.34499   0.56481   0.91967   0.00000  Uiso   1.00
C1107  C     0.30466   0.54407   0.90028   0.00000  Uiso   1.00
C1109  C     0.38414   0.54536   0.79571   0.00000  Uiso   1.00
C1111  C     0.35826   0.55359   0.84577   0.00000  Uiso   1.00
C1113  C     0.38128   0.60307   0.98906   0.00000  Uiso   1.00
C1114  C     0.35832   0.57800   0.94158   0.00000  Uiso   1.00
C1115  C     0.22445   0.51535   0.90229   0.00000  Uiso   1.00
C1118  C     0.27780   0.53399   0.90034   0.00000  Uiso   1.00
C1130  C     0.46656   0.53528   0.74349   0.00000  Uiso   1.00
C1139  C     0.24071   0.50880   0.87941   0.00000  Uiso   1.00
C1140  C     0.39950   0.54298   0.81994   0.00000  Uiso   1.00
C1141  C     0.26937   0.51578   0.87955   0.00000  Uiso   1.00
C1144  C     0.35589   0.54873   0.79519   0.00000  Uiso   1.00
C1145  C     0.31939   0.55405   0.92256   0.00000  Uiso   1.00
C1146  C     0.34326   0.55369   0.82085   0.00000  Uiso   1.00
C1155  C     0.38651   0.58330   0.94496   0.00000  Uiso   1.00
C1158  C     0.47843   0.53087   0.71720   0.00000  Uiso   1.00
C1159  C     0.39767   0.59414   0.96816   0.00000  Uiso   1.00
C1161  C     0.01870   0.51956   0.53958   0.00000  Uiso   1.00
C1163  C     0.02115   0.54713   0.52915   0.00000  Uiso   1.00
C1166  C     0.35792   0.56499   0.89402   0.00000  Uiso   1.00
C1171  C     0.31689   0.54684   0.87413   0.00000  Uiso   1.00
C1173  C     0.35360   0.60065   0.98799   0.00000  Uiso   1.00
C1179  C     0.34271   0.59013   0.96264   0.00000  Uiso   1.00
C1184  C     0.48249   0.52680   0.76537   0.00000  Uiso   1.00
C1186  C     0.38677   0.54815   0.84458   0.00000  Uiso   1.00
C1187  C     0.25881   0.54418   0.92083   0.00000  Uiso   1.00
C1193  C     0.23245   0.53384   0.92368   0.00000  Uiso   1.00
H765   H     0.32092   0.53793   0.53112   0.00000  Uiso   1.00
H766   H     0.31861   0.52594   0.58158   0.00000  Uiso   1.00
H773   H     0.31728   0.51502   0.69645   0.00000  Uiso   1.00
H776   H     0.36676   0.51080   0.95413   0.00000  Uiso   1.00
H783   H     0.28162   0.50466   0.98216   0.00000  Uiso   1.00
H784   H     0.32901   0.51086   0.96498   0.00000  Uiso   1.00
H785   H     0.43375   0.53564   0.90617   0.00000  Uiso   1.00
H786   H     0.47425   0.55545   0.93010   0.00000  Uiso   1.00
H787   H     0.47597   0.54559   0.98326   0.00000  Uiso   1.00
H795   H     0.35628   0.51024   0.73019   0.00000  Uiso   1.00
C1214  C     0.39737   0.50285   0.92547   0.00000  Uiso   1.00
C1237  C     0.41793   0.51624   0.93970   0.00000  Uiso   1.00
C1272  C     0.37041   0.50156   0.93486   0.00000  Uiso   1.00
C1274  C     0.43695   0.53278   0.92679   0.00000  Uiso   1.00
C1279  C     0.45839   0.54393   0.94185   0.00000  Uiso   1.00
C1282  C     0.31263   0.51834   0.53744   0.00000  Uiso   1.00
C1284  C     0.45955   0.53928   0.97024   0.00000  Uiso   1.00
C1288  C     0.43973   0.52430   0.98378   0.00000  Uiso   1.00
C1292  C     0.42173   0.51077   0.96655   0.00000  Uiso   1.00
C1301  C     0.33562   0.50532   0.69167   0.00000  Uiso   1.00
C1304  C     0.30879   0.51312   0.56618   0.00000  Uiso   1.00
C1313  C     0.35619   0.50177   0.71048   0.00000  Uiso   1.00
N217   N     0.26262   0.56305   0.81587   0.00000  Uiso   1.00
N218   N     0.22754   0.53630   0.83150   0.00000  Uiso   1.00
N219   N     0.22815   0.58147   0.84213   0.00000  Uiso   1.00
C1367  C     0.25008   0.53859   0.81629   0.00000  Uiso   1.00
H904   H     0.26294   0.60163   0.82715   0.00000  Uiso   1.00
H905   H     0.29707   0.53661   0.78770   0.00000  Uiso   1.00
H907   H     0.19941   0.55484   0.85826   0.00000  Uiso   1.00
C1409  C     0.25977   0.51712   0.79975   0.00000  Uiso   1.00
C1471  C     0.28488   0.51820   0.78814   0.00000  Uiso   1.00
C1472  C     0.21669   0.55806   0.84319   0.00000  Uiso   1.00
C1476  C     0.24984   0.58383   0.82641   0.00000  Uiso   1.00
N1     N     0.93547   0.60764   0.64844   0.00000  Uiso   1.00
N2     N     0.98168   0.61452   0.64504   0.00000  Uiso   1.00
N3     N     0.96279   0.57532   0.62758   0.00000  Uiso   1.00
C1     C     0.95760   0.62229   0.65242   0.00000  Uiso   1.00
H1     H     0.84974   0.57281   0.61119   0.00000  Uiso   1.00
H2     H     0.78336   0.51485   0.60557   0.00000  Uiso   1.00
H14    H     0.99570   0.54596   0.60954   0.00000  Uiso   1.00
H27    H     0.95694   0.64191   0.66188   0.00000  Uiso   1.00
H28    H     0.90900   0.51476   0.58479   0.00000  Uiso   1.00
H31    H     0.88453   0.52982   0.54059   0.00000  Uiso   1.00
H32    H     0.94247   0.53775   0.61252   0.00000  Uiso   1.00
H35    H     0.82636   0.52448   0.60496   0.00000  Uiso   1.00
H38    H     0.88552   0.59655   0.63801   0.00000  Uiso   1.00
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C12    C     0.93874   0.58440   0.63553   0.00000  Uiso   1.00
C18    C     0.87666   0.54271   0.59285   0.00000  Uiso   1.00
C19    C     0.85527   0.50421   0.50373   0.00000  Uiso   1.00
C29    C     0.85802   0.52864   0.57500   0.00000  Uiso   1.00
C30    C     0.91647   0.56897   0.62666   0.00000  Uiso   1.00
C31    C     0.81850   0.50011   0.56850   0.00000  Uiso   1.00
C33    C     0.85027   0.50506   0.53134   0.00000  Uiso   1.00
C34    C     0.90362   0.53327   0.59552   0.00000  Uiso   1.00
C42    C     0.92246   0.54529   0.61321   0.00000  Uiso   1.00
C49    C     0.83318   0.51926   0.58446   0.00000  Uiso   1.00
C55    C     0.88980   0.57772   0.62785   0.00000  Uiso   1.00
C62    C     0.86506   0.52201   0.54737   0.00000  Uiso   1.00
C63    C     0.87047   0.56478   0.61038   0.00000  Uiso   1.00
H69    H     0.76453   0.51265   0.99741   0.00000  Uiso   1.00
H70    H     0.79846   0.55030   0.99885   0.00000  Uiso   1.00
H137   H     0.84819   0.61420   0.99322   0.00000  Uiso   1.00
H166   H     0.96806   0.53862   0.99127   0.00000  Uiso   1.00
H168   H     0.97462   0.55624   0.89153   0.00000  Uiso   1.00
H169   H     0.93453   0.53870   0.90975   0.00000  Uiso   1.00
H170   H     0.82160   0.52527   0.97253   0.00000  Uiso   1.00
H171   H     0.78216   0.50783   0.95482   0.00000  Uiso   1.00
H176   H     0.63361   0.51152   0.98089   0.00000  Uiso   1.00
H185   H     0.54096   0.51858   0.97717   0.00000  Uiso   1.00
H194   H     0.67178   0.50798   0.71003   0.00000  Uiso   1.00
H195   H     0.69329   0.53160   0.66879   0.00000  Uiso   1.00
H196   H     0.73974   0.51666   0.65620   0.00000  Uiso   1.00
H265   H     0.90247   0.52523   0.92363   0.00000  Uiso   1.00
H276   H     0.99779   0.58777   0.79913   0.00000  Uiso   1.00
H277   H     0.99849   0.57972   0.84757   0.00000  Uiso   1.00
H280   H     0.97553   0.55695   0.74926   0.00000  Uiso   1.00
H281   H     0.93506   0.53554   0.73033   0.00000  Uiso   1.00
H282   H     0.93421   0.52250   0.67886   0.00000  Uiso   1.00
H283   H     0.97710   0.52847   0.65270   0.00000  Uiso   1.00
C295   C     0.92150   0.52640   0.96325   0.00000  Uiso   1.00
C309   C     0.87440   0.51243   0.95663   0.00000  Uiso   1.00
C312   C     0.99738   0.55602   0.92982   0.00000  Uiso   1.00
C316   C     0.85068   0.51288   0.94011   0.00000  Uiso   1.00
C321   C     0.94568   0.54031   0.95312   0.00000  Uiso   1.00
C323   C     0.58177   0.51739   0.99872   0.00000  Uiso   1.00
C325   C     0.99990   0.55137   0.71422   0.00000  Uiso   1.00
C328   C     0.69099   0.50220   0.70195   0.00000  Uiso   1.00
C332   C     0.70104   0.51440   0.67890   0.00000  Uiso   1.00
C334   C     0.79984   0.50465   0.94247   0.00000  Uiso   1.00
C336   C     0.72706   0.50686   0.67135   0.00000  Uiso   1.00
C343   C     0.99357   0.55150   0.95839   0.00000  Uiso   1.00
C353   C     0.90006   0.51981   0.94488   0.00000  Uiso   1.00
C378   C     0.94919   0.54357   0.92476   0.00000  Uiso   1.00
C390   C     0.97386   0.55267   0.91366   0.00000  Uiso   1.00
C400   C     0.87391   0.50650   0.98482   0.00000  Uiso   1.00
C401   C     0.96782   0.54487   0.97059   0.00000  Uiso   1.00
C426   C     0.91874   0.52672   0.99208   0.00000  Uiso   1.00
C428   C     0.55361   0.52462   0.99590   0.00000  Uiso   1.00
C430   C     0.97579   0.54938   0.72901   0.00000  Uiso   1.00
C431   C     0.82421   0.51725   0.95195   0.00000  Uiso   1.00
C432   C     0.95337   0.53785   0.71692   0.00000  Uiso   1.00
C434   C     0.95350   0.53106   0.68944   0.00000  Uiso   1.00
C436   C     0.97777   0.53381   0.67414   0.00000  Uiso   1.00
H355   H     0.99038   0.51624   0.78308   0.00000  Uiso   1.00
H356   H     0.98716   0.53198   0.82869   0.00000  Uiso   1.00
H357   H     0.95797   0.50365   0.86279   0.00000  Uiso   1.00
C534   C     0.97698   0.50473   0.79654   0.00000  Uiso   1.00
C536   C     0.97501   0.51290   0.82335   0.00000  Uiso   1.00
N97    N     0.69956   0.58644   0.80883   0.00000  Uiso   1.00
N98    N     0.65136   0.58538   0.80344   0.00000  Uiso   1.00
N99    N     0.68033   0.56940   0.76923   0.00000  Uiso   1.00
N115   N     0.96925   0.63221   0.73634   0.00000  Uiso   1.00
N116   N     0.99640   0.65732   0.76543   0.00000  Uiso   1.00
N117   N     0.95734   0.63733   0.78112   0.00000  Uiso   1.00
C673   C     0.67419   0.59027   0.81787   0.00000  Uiso   1.00
C683   C     0.99094   0.64761   0.74068   0.00000  Uiso   1.00
C684   C     0.97986   0.65114   0.78541   0.00000  Uiso   1.00
H431   H     0.50652   0.51888   0.63858   0.00000  Uiso   1.00
H432   H     0.56704   0.59017   0.75954   0.00000  Uiso   1.00
H433   H     0.60499   0.59238   0.78854   0.00000  Uiso   1.00
H434   H     0.65794   0.56140   0.72603   0.00000  Uiso   1.00
H435   H     0.62140   0.55325   0.69916   0.00000  Uiso   1.00
H439   H     0.67290   0.60143   0.83634   0.00000  Uiso   1.00
H441   H     0.54135   0.59610   0.73175   0.00000  Uiso   1.00
H444   H     0.79270   0.52174   0.71950   0.00000  Uiso   1.00
H445   H     0.87527   0.53881   0.70560   0.00000  Uiso   1.00
H446   H     0.82971   0.58250   0.76775   0.00000  Uiso   1.00
H450   H     0.86428   0.52578   0.66572   0.00000  Uiso   1.00
H451   H     0.86894   0.58983   0.78260   0.00000  Uiso   1.00
H452   H     0.91326   0.61537   0.79288   0.00000  Uiso   1.00
H453   H     0.93358   0.60946   0.70795   0.00000  Uiso   1.00
H454   H     0.89247   0.58404   0.69836   0.00000  Uiso   1.00
H455   H     0.75867   0.55003   0.71778   0.00000  Uiso   1.00
H456   H     0.71408   0.55255   0.73715   0.00000  Uiso   1.00
H457   H     0.75190   0.58335   0.81008   0.00000  Uiso   1.00
H458   H     0.79709   0.56968   0.79462   0.00000  Uiso   1.00
H460   H     0.50782   0.56392   0.65666   0.00000  Uiso   1.00
H477   H     0.58704   0.53673   0.68138   0.00000  Uiso   1.00
H478   H     0.59103   0.54182   0.64150   0.00000  Uiso   1.00
H480   H     0.59854   0.51260   0.59913   0.00000  Uiso   1.00
H483   H     0.51129   0.62164   0.65804   0.00000  Uiso   1.00
H487   H     0.98028   0.66161   0.80371   0.00000  Uiso   1.00
C688   C     0.65555   0.57617   0.77825   0.00000  Uiso   1.00
C691   C     0.70191   0.57574   0.78413   0.00000  Uiso   1.00
C693   C     0.95235   0.62652   0.75699   0.00000  Uiso   1.00
C694   C     0.52451   0.58453   0.69291   0.00000  Uiso   1.00
C695   C     0.78285   0.55805   0.75464   0.00000  Uiso   1.00
C696   C     0.50571   0.60511   0.69657   0.00000  Uiso   1.00
C697   C     0.87805   0.58480   0.74039   0.00000  Uiso   1.00
C698   C     0.54821   0.55214   0.66357   0.00000  Uiso   1.00
C699   C     0.83454   0.52686   0.71156   0.00000  Uiso   1.00
C703   C     0.85571   0.56565   0.73472   0.00000  Uiso   1.00
C705   C     0.80853   0.55318   0.74312   0.00000  Uiso   1.00
C709   C     0.54906   0.53385   0.64162   0.00000  Uiso   1.00
C712   C     0.63453   0.57651   0.76069   0.00000  Uiso   1.00
C714   C     0.83571   0.50590   0.69290   0.00000  Uiso   1.00
C715   C     0.56817   0.56748   0.70803   0.00000  Uiso   1.00
C717   C     0.92674   0.61420   0.75228   0.00000  Uiso   1.00
C718   C     0.72862   0.56908   0.77535   0.00000  Uiso   1.00
C719   C     0.58992   0.56903   0.72726   0.00000  Uiso   1.00
C721   C     0.85683   0.54476   0.71477   0.00000  Uiso   1.00
C723   C     0.81060   0.53255   0.72499   0.00000  Uiso   1.00
C726   C     0.52451   0.56629   0.67042   0.00000  Uiso   1.00
C728   C     0.73133   0.55550   0.75072   0.00000  Uiso   1.00
C735   C     0.57451   0.53034   0.63098   0.00000  Uiso   1.00
C741   C     0.60817   0.58506   0.76886   0.00000  Uiso   1.00
C742   C     0.85275   0.50851   0.66897   0.00000  Uiso   1.00
C743   C     0.56939   0.55154   0.68332   0.00000  Uiso   1.00
C744   C     0.52723   0.51825   0.63156   0.00000  Uiso   1.00
C745   C     0.63804   0.56835   0.73414   0.00000  Uiso   1.00
C747   C     0.88333   0.59410   0.76654   0.00000  Uiso   1.00
C748   C     0.83174   0.56777   0.75070   0.00000  Uiso   1.00
C749   C     0.57781   0.51367   0.60814   0.00000  Uiso   1.00
C750   C     0.54536   0.58464   0.71336   0.00000  Uiso   1.00
C752   C     0.90724   0.60922   0.77238   0.00000  Uiso   1.00
C753   C     0.50323   0.62515   0.67740   0.00000  Uiso   1.00
C754   C     0.75859   0.55507   0.73935   0.00000  Uiso   1.00
C755   C     0.58616   0.58305   0.75144   0.00000  Uiso   1.00
C757   C     0.61596   0.56286   0.71860   0.00000  Uiso   1.00
C759   C     0.53117   0.50092   0.60949   0.00000  Uiso   1.00
C760   C     0.92003   0.60701   0.72498   0.00000  Uiso   1.00
C761   C     0.75233   0.57226   0.79123   0.00000  Uiso   1.00
C762   C     0.89693   0.59186   0.71930   0.00000  Uiso   1.00
C765   C     0.77927   0.56748   0.78116   0.00000  Uiso   1.00
H688   H     0.66605   0.53956   0.90302   0.00000  Uiso   1.00
H689   H     0.56046   0.51516   0.77945   0.00000  Uiso   1.00
H692   H     0.51151   0.51386   0.69437   0.00000  Uiso   1.00
H695   H     0.51967   0.51263   0.78050   0.00000  Uiso   1.00
H699   H     0.63665   0.50206   0.69046   0.00000  Uiso   1.00
H701   H     0.61393   0.50922   0.84958   0.00000  Uiso   1.00
H702   H     0.67836   0.50678   0.78938   0.00000  Uiso   1.00
H703   H     0.64829   0.50138   0.75460   0.00000  Uiso   1.00
H708   H     0.83487   0.55015   0.86883   0.00000  Uiso   1.00
H709   H     0.90172   0.51656   0.81797   0.00000  Uiso   1.00
H710   H     0.78655   0.51186   0.80399   0.00000  Uiso   1.00
H711   H     0.73569   0.50638   0.81252   0.00000  Uiso   1.00
H712   H     0.75101   0.54045   0.89357   0.00000  Uiso   1.00
H713   H     0.79636   0.54282   0.88416   0.00000  Uiso   1.00
H714   H     0.86559   0.56631   0.89471   0.00000  Uiso   1.00
H715   H     0.89391   0.60283   0.91003   0.00000  Uiso   1.00
H716   H     0.95292   0.58495   0.84971   0.00000  Uiso   1.00
H717   H     0.92182   0.55037   0.82901   0.00000  Uiso   1.00
H721   H     0.89842   0.51294   0.77355   0.00000  Uiso   1.00
H723   H     0.93953   0.67173   0.93387   0.00000  Uiso   1.00
H724   H     0.99728   0.65415   0.87409   0.00000  Uiso   1.00
H748   H     0.95826   0.56824   0.54704   0.00000  Uiso   1.00
H749   H     0.95183   0.51831   0.55945   0.00000  Uiso   1.00
N172   N     0.70044   0.53053   0.88093   0.00000  Uiso   1.00
N176   N     0.93354   0.63702   0.90957   0.00000  Uiso   1.00
N177   N     0.96579   0.62642   0.87631   0.00000  Uiso   1.00
N178   N     0.97031   0.66438   0.90461   0.00000  Uiso   1.00
N179   N     0.69494   0.51282   0.83848   0.00000  Uiso   1.00
N189   N     0.65755   0.51955   0.86713   0.00000  Uiso   1.00
C1084  C     0.71073   0.52178   0.85780   0.00000  Uiso   1.00
C1087  C     0.94172   0.62115   0.88951   0.00000  Uiso   1.00
C1091  C     0.66817   0.51218   0.84372   0.00000  Uiso   1.00
C1095  C     0.97918   0.64753   0.88456   0.00000  Uiso   1.00
C1096  C     0.94683   0.65807   0.91690   0.00000  Uiso   1.00
C1103  C     0.67385   0.52911   0.88574   0.00000  Uiso   1.00
C1108  C     0.64922   0.50814   0.82303   0.00000  Uiso   1.00
C1112  C     0.61155   0.50335   0.77895   0.00000  Uiso   1.00
C1117  C     0.54827   0.50481   0.73689   0.00000  Uiso   1.00
C1120  C     0.92593   0.59704   0.88115   0.00000  Uiso   1.00
C1122  C     0.73894   0.52242   0.85366   0.00000  Uiso   1.00
C1124  C     0.52158   0.51421   0.73756   0.00000  Uiso   1.00
C1127  C     0.89147   0.55334   0.86057   0.00000  Uiso   1.00
C1128  C     0.99304   0.50847   0.54655   0.00000  Uiso   1.00
C1129  C     0.82448   0.52198   0.83840   0.00000  Uiso   1.00
C1131  C     0.87112   0.53650   0.84672   0.00000  Uiso   1.00
C1133  C     0.86056   0.50182   0.81350   0.00000  Uiso   1.00
C1137  C     0.79658   0.52536   0.84248   0.00000  Uiso   1.00
C1142  C     0.65778   0.50586   0.79595   0.00000  Uiso   1.00
C1147  C     0.93413   0.57997   0.85933   0.00000  Uiso   1.00
C1148  C     0.78520   0.53521   0.86710   0.00000  Uiso   1.00
C1149  C     0.63994   0.50619   0.77425   0.00000  Uiso   1.00
C1152  C     0.91784   0.55850   0.84941   0.00000  Uiso   1.00
C1153  C     0.88419   0.56890   0.88311   0.00000  Uiso   1.00
C1156  C     0.56726   0.50722   0.75937   0.00000  Uiso   1.00
C1165  C     0.99910   0.56489   0.53445   0.00000  Uiso   1.00
C1167  C     0.97493   0.55432   0.54610   0.00000  Uiso   1.00
C1168  C     0.50964   0.51882   0.76323   0.00000  Uiso   1.00
C1169  C     0.97089   0.52592   0.55120   0.00000  Uiso   1.00
C1175  C     0.84318   0.53704   0.85363   0.00000  Uiso   1.00
C1177  C     0.50558   0.51876   0.71500   0.00000  Uiso   1.00
C1181  C     0.87964   0.51738   0.82619   0.00000  Uiso   1.00
C1189  C     0.83283   0.50150   0.82113   0.00000  Uiso   1.00
C1191  C     0.77784   0.51831   0.82303   0.00000  Uiso   1.00
C1194  C     0.60220   0.50223   0.80644   0.00000  Uiso   1.00
C1195  C     0.90087   0.59030   0.89345   0.00000  Uiso   1.00
C1197  C     0.62090   0.50691   0.82842   0.00000  Uiso   1.00
C1198  C     0.74925   0.51582   0.82815   0.00000  Uiso   1.00
C1200  C     0.75768   0.53276   0.87396   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
N19    C65     1.356   .     S
N19    C227    1.352   .     S
N20    C67     1.344   .     S
N20    C65     1.369   .     S
N21    C67     1.323   .     S
N21    C227    1.341   .     S
C65    C84     1.426   .     S
C67    C123    1.479   .     S
H40    C216    1.160   .     S
H54    C181    1.140   .     S
H55    C193    1.062   .     S
H56    C198    1.084   .     S
H57    C210    1.082   .     S
H77    C227    1.059   .     S
H78    C219    1.131   .     S
H79    C199    1.050   .     S
H80    C156    1.110   .     S
H81    C212    1.081   .     S
H82    C218    1.120   .     S
H83    C191    1.120   .     S
H84    C133    1.081   .     S
H85    C160    1.058   .     S
H86    C183    1.150   .     S
H87    C203    1.102   .     S
H88    C211    1.123   .     S
H89    C129    1.090   .     S
H90    C134    1.088   .     S
H91    C145    1.082   .     S
H92    C155    1.077   .     S
H93    C157    1.130   .     S
H94    C163    1.092   .     S
H95    C172    1.095   .     S
H96    C208    1.063   .     S
H97    C205    1.131   .     S
H100   C204    1.114   .     S
H102   C125    1.054   .     S
H103   C127    1.114   .     S
H133   C196    1.102   .     S
H140   C209    1.067   .     S
H143   C213    1.077   .     S
C76    C170    1.406   .     S
C76    C210    1.416   .     S
C76    C121    1.462   .     S
C77    C156    1.438   .     S
C77    C218    1.438   .     S
C77    C86     1.398   .     S
C78    C160    1.396   .     S
C78    C133    1.437   .     S
C78    C70     1.439   .     S
C79    C191    1.466   .     S
C79    C120    1.398   .     S
C79    C183    1.428   .     S
C82    C122    1.439   .     S
C82    C145    1.433   .     S
C82    C203    1.462   .     S
C84    C163    1.422   .     S
C84    C157    1.446   .     S
C86    C155    1.419   .     S
C86    C172    1.431   .     S
C88    C196    1.427   .     S
C88    C118    1.446   .     S
C88    C208    1.414   .     S
C115   C202    1.417   .     S
C115   C117    1.457   .     S
C115   C196    1.424   .     S
C117   C216    1.465   .     S
C117   C205    1.406   .     S
C118   C209    1.536   .     S
C118   C199    1.400   .     S
C120   C212    1.394   .     S
C120   C156    1.460   .     S
C122   C212    1.418   .     S
C122   C218    1.424   .     S
C123   C219    1.391   .     S
C123   C213    1.441   .     S
C125   C127    1.458   .     S
C125   C95     1.391   .     S
C127   C93     1.445   .     S
C129   C211    1.411   .     S
C129   C134    1.415   .     S
C133   C191    1.392   .     S
C134   C145    1.439   .     S
C155   C157    1.416   .     S
C160   C183    1.451   .     S
C163   C172    1.463   .     S
C170   C181    1.418   .     S
C170   H53     1.091   .     S
C181   C193    1.408   .     S
C193   C198    1.447   .     S
C198   C210    1.378   .     S
C199   C219    1.345   .     S
C202   H136    1.135   1_554 S
C202   C119    1.430   1_554 S
C203   C211    1.410   .     S
C204   C89     1.498   .     S
C204   C91     1.402   .     S
C205   C195    1.369   .     S
C207   C216    1.457   .     S
C207   C116    1.420   .     S
C207   H139    1.109   .     S
C208   C119    1.425   1_554 S
C209   C213    1.446   .     S
N40    C232    1.382   .     S
N40    C230    1.330   .     S
C232   H157    1.105   .     S
C232   N42     1.330   .     S
H158   C230    1.092   .     S
N60    C272    1.353   .     S
N60    C442    1.355   1_554 S
C272   C275    1.448   .     S
C272   N58     1.350   1_554 S
H218   C374    1.100   .     S
H219   C396    1.153   .     S
H267   C442    1.121   1_554 S
C275   C354    1.439   .     S
C275   C374    1.424   .     S
C354   C407    1.435   .     S
C354   H217    1.086   1_554 S
C374   C396    1.379   .     S
C396   C277    1.406   .     S
C407   H216    1.099   .     S
C407   C277    1.431   .     S
N64    C446    1.354   .     S
N64    C450    1.343   .     S
N65    C448    1.335   .     S
N65    C446    1.355   .     S
N66    C448    1.362   .     S
N66    C450    1.352   .     S
C446   H301    1.078   .     S
C448   H303    1.086   .     S
H298   C462    1.130   .     S
H299   C464    1.062   .     S
C450   C453    1.408   .     S
C453   C462    1.484   .     S
C453   C459    1.397   .     S
C462   C464    1.400   .     S
C464   C455    1.421   .     S
N67    C491    1.368   .     S
N67    C475    1.327   .     S
N68    C475    1.353   .     S
N68    C489    1.360   .     S
N69    C489    1.375   .     S
N69    C491    1.350   .     S
N70    C476    1.303   .     S
N70    C477    1.345   .     S
N71    C476    1.375   .     S
N71    C490    1.333   .     S
N72    C490    1.346   .     S
N72    C477    1.361   .     S
N73    C479    1.385   .     S
N73    C478    1.351   .     S
N74    C485    1.332   .     S
N74    C478    1.350   .     S
N75    C485    1.364   .     S
N75    C479    1.365   .     S
N79    C488    1.358   .     S
N79    C481    1.321   .     S
N80    C487    1.336   .     S
N80    C481    1.327   .     S
N81    C488    1.316   .     S
N81    C487    1.307   .     S
C475   H316    1.069   .     S
C476   H315    1.098   .     S
C477   H313    1.080   .     S
C478   H318    1.054   .     S
C479   H317    1.095   .     S
C481   H339    1.129   .     S
H305   C585    1.108   .     S
H306   C572    1.095   .     S
H307   C539    1.135   .     S
H308   C567    1.089   .     S
H309   C535    1.069   .     S
H310   C559    1.096   .     S
H311   C580    1.083   .     S
H312   C529    1.107   .     S
H314   C528    1.152   .     S
H319   C581    1.115   .     S
H320   C586    1.084   .     S
H321   C565    1.115   .     S
H322   C560    1.097   .     S
H323   C545    1.111   .     S
H324   C575    1.113   .     S
H325   C526    1.088   .     S
H326   C533    1.102   .     S
H327   C537    1.106   .     S
H328   C544    1.104   .     S
H330   C557    1.051   .     S
H331   C562    1.092   .     S
H332   C569    1.127   .     S
H333   C574    1.124   .     S
H334   C583    1.154   .     S
H335   C587    1.128   .     S
H336   C588    1.133   .     S
H338   C547    1.090   .     S
H340   C541    1.094   .     S
H370   C571    1.093   .     S
H371   C573    1.115   .     S
H372   C576    1.175   .     S
H376   C584    1.116   .     S
C485   C494    1.492   .     S
C487   C521    1.428   .     S
C488   C523    1.407   .     S
C489   C499    1.449   .     S
C490   C517    1.435   .     S
C491   C508    1.435   .     S
C493   C588    1.374   .     S
C493   C525    1.460   .     S
C493   C581    1.417   .     S
C494   C580    1.495   .     S
C494   C559    1.402   .     S
C495   C541    1.407   .     S
C495   C581    1.406   .     S
C495   C502    1.418   .     S
C496   C510    1.459   .     S
C496   C560    1.437   .     S
C496   C565    1.442   .     S
C499   C572    1.444   .     S
C499   C539    1.453   .     S
C501   C519    1.403   .     S
C501   C560    1.457   .     S
C501   C545    1.480   .     S
C502   C529    1.398   .     S
C502   C535    1.430   .     S
C503   C565    1.442   .     S
C503   C545    1.426   .     S
C503   C514    1.436   .     S
C505   C567    1.409   .     S
C505   C585    1.414   .     S
C505   C522    1.471   .     S
C508   C533    1.432   .     S
C508   C526    1.430   .     S
C510   C575    1.394   .     S
C510   C537    1.479   .     S
C514   C569    1.445   .     S
C514   C587    1.418   .     S
C517   C586    1.444   .     S
C517   C528    1.427   .     S
C519   C544    1.455   .     S
C519   C562    1.424   .     S
C521   C576    1.422   .     S
C521   C573    1.398   .     S
C522   C541    1.445   .     S
C522   C588    1.440   .     S
C523   C574    1.439   .     S
C523   C583    1.447   .     S
C525   C584    1.432   .     S
C525   C547    1.453   .     S
C526   C575    1.395   .     S
C528   C584    1.430   .     S
C529   C580    1.432   .     S
C533   C537    1.441   .     S
C535   C559    1.449   .     S
C539   C567    1.398   .     S
C544   C551    1.386   1_455 S
C547   C586    1.424   .     S
C557   C562    1.434   .     S
C557   C515    1.453   1_455 S
C569   C574    1.412   .     S
C571   C573    1.419   .     S
C571   C524    1.473   1_455 S
C572   C585    1.421   .     S
C576   C578    1.440   1_455 S
C583   C587    1.451   .     S
H397   C666    1.112   .     S
H403   C671    1.126   .     S
H406   C672    1.129   .     S
H407   C628    1.100   .     S
H412   C632    1.062   .     S
H413   C626    1.139   .     S
H414   C629    1.141   .     S
H418   C639    1.117   .     S
H419   C641    1.027   .     S
H420   C644    1.066   .     S
H422   C649    1.071   .     S
H423   C651    1.103   .     S
H424   C654    1.117   .     S
H425   C656    1.164   .     S
H426   C658    1.088   .     S
H427   C660    1.104   .     S
H428   C662    1.104   .     S
C605   C628    1.425   .     S
C605   C631    1.404   .     S
C605   C623    1.477   .     S
C610   C626    1.451   .     S
C610   C632    1.432   .     S
C610   C615    1.439   .     S
C611   C619    1.432   .     S
C611   C629    1.424   .     S
C611   C626    1.449   .     S
C612   C620    1.438   .     S
C612   C629    1.453   .     S
C612   C632    1.417   .     S
C615   C641    1.393   .     S
C615   C633    1.420   .     S
C619   C651    1.473   .     S
C619   C644    1.448   .     S
C620   C654    1.440   .     S
C620   C662    1.452   .     S
C623   C666    1.419   .     S
C623   C650    1.451   .     S
C628   C672    1.430   .     S
C631   H404    1.071   .     S
C631   C652    1.429   .     S
C637   C639    1.459   .     S
C637   H417    1.108   .     S
C637   C635    1.409   .     S
C639   C641    1.434   .     S
C644   C646    1.414   1_554 S
C649   C651    1.455   .     S
C649   C616    1.431   1_554 S
C654   C656    1.398   .     S
C656   C658    1.412   .     S
C658   C660    1.443   .     S
C660   C662    1.419   .     S
C666   C621    1.394   .     S
C672   C603    1.414   .     S
N113   C682    1.342   .     S
N113   C681    1.336   .     S
N114   C690    1.348   .     S
N114   C682    1.333   .     S
C681   N112    1.346   1_455 S
C681   H481    1.139   1_455 S
C682   H482    1.123   .     S
H468   C722    1.066   1_455 S
H469   C724    1.059   .     S
H475   C739    1.139   1_455 S
C690   N112    1.328   1_455 S
C690   C707    1.434   1_455 S
C724   C707    1.432   1_455 S
C724   C722    1.435   1_455 S
N118   C766    1.360   .     S
N118   C778    1.378   .     S
N119   C766    1.327   .     S
N119   C782    1.334   .     S
N120   C782    1.332   .     S
N120   C778    1.385   .     S
N130   C773    1.276   .     S
N130   C783    1.342   .     S
N131   C783    1.272   .     S
N131   C772    1.362   .     S
N132   C773    1.348   .     S
N132   C772    1.295   .     S
N136   C776    1.328   .     S
N136   C786    1.365   .     S
N137   C776    1.382   .     S
N137   C777    1.314   .     S
N138   C777    1.341   .     S
N138   C786    1.312   .     S
C766   H495    1.108   .     S
C772   H536    1.090   .     S
C773   H533    1.106   .     S
C776   H541    1.086   .     S
C777   H544    1.046   .     S
H513   C843    1.077   1_455 S
H518   C837    1.062   .     S
H519   C819    1.153   .     S
H520   C831    1.092   .     S
H521   C839    1.083   .     S
H522   C841    1.088   .     S
H523   C853    1.070   .     S
H524   C857    1.075   .     S
H525   C815    1.080   .     S
H526   C817    1.192   .     S
H527   C820    1.119   .     S
H528   C822    1.082   .     S
H529   C825    1.090   .     S
H530   C827    1.087   .     S
H531   C830    1.057   .     S
H532   C832    1.086   .     S
H540   C846    1.195   .     S
H542   C851    1.137   .     S
C778   C798    1.382   .     S
C782   C812    1.452   .     S
C783   C795    1.441   .     S
C786   C800    1.407   .     S
C790   C796    1.453   .     S
C790   C837    1.426   .     S
C790   C819    1.414   .     S
C791   C831    1.457   .     S
C791   C819    1.413   .     S
C791   C799    1.441   .     S
C793   C802    1.456   .     S
C793   C831    1.436   .     S
C793   C837    1.437   .     S
C795   C853    1.407   .     S
C795   C841    1.431   .     S
C796   C857    1.430   .     S
C796   C839    1.458   .     S
C798   C820    1.446   .     S
C798   C817    1.482   .     S
C799   C815    1.421   .     S
C799   C822    1.395   .     S
C800   C827    1.447   .     S
C800   C830    1.441   .     S
C802   C825    1.401   .     S
C802   C832    1.471   .     S
C812   C851    1.475   .     S
C812   C855    1.402   1_455 S
C815   C817    1.468   .     S
C818   C792    1.416   1_455 S
C818   H489    1.132   .     S
C818   C828    1.418   .     S
C820   C822    1.464   .     S
C825   C827    1.439   .     S
C830   C832    1.426   .     S
C839   C841    1.445   .     S
C846   C851    1.415   .     S
C846   C788    1.422   1_455 S
C853   C857    1.399   .     S
N139   C861    1.363   .     S
N139   C860    1.328   .     S
N140   C860    1.318   .     S
N140   C859    1.342   .     S
N141   C859    1.347   .     S
N141   C861    1.314   .     S
N145   C864    1.332   .     S
N145   C965    1.335   1_545 S
N149   C865    1.344   .     S
N149   C971    1.336   .     S
N150   C865    1.385   .     S
N150   C972    1.333   .     S
C859   C877    1.437   .     S
C860   C868    1.367   .     S
C861   C870    1.412   .     S
C864   C878    1.384   .     S
C864   N147    1.363   1_545 S
C865   C874    1.448   .     S
H553   C960    1.124   .     S
H554   C923    1.145   .     S
H555   C938    1.055   .     S
H556   C963    1.108   .     S
H557   C911    1.089   .     S
H558   C908    1.107   .     S
H559   C916    1.089   .     S
H560   C939    1.080   .     S
H561   C948    1.148   .     S
H563   C907    1.101   .     S
H564   C910    1.136   .     S
H565   C915    1.072   .     S
H566   C920    1.068   .     S
H567   C926    1.075   .     S
H568   C932    1.141   .     S
H569   C956    1.123   .     S
H570   C943    1.144   .     S
H571   C950    1.089   .     S
H572   C959    1.072   .     S
H573   C961    1.130   .     S
H574   C912    1.147   .     S
H575   C901    1.117   .     S
H579   C909    1.071   .     S
H580   C914    1.123   .     S
H581   C917    1.058   .     S
H582   C927    1.111   .     S
H583   C936    1.064   .     S
H584   C962    1.079   .     S
H587   C957    1.072   .     S
H590   C905    1.102   .     S
H592   C906    1.105   1_554 S
H614   C958    1.109   .     S
C868   C961    1.412   .     S
C868   C912    1.411   .     S
C869   C893    1.409   .     S
C869   C959    1.423   .     S
C869   C901    1.512   .     S
C870   C911    1.452   .     S
C870   C908    1.382   .     S
C873   C895    1.438   .     S
C873   C909    1.452   .     S
C873   C924    1.391   .     S
C874   C917    1.416   .     S
C874   C927    1.403   .     S
C875   C963    1.398   .     S
C875   C916    1.441   .     S
C875   C886    1.467   .     S
C876   C914    1.476   .     S
C876   C899    1.482   .     S
C876   C936    1.421   .     S
C877   C957    1.384   .     S
C877   C962    1.460   .     S
C878   C902    1.399   .     S
C878   C948    1.458   .     S
C881   C939    1.447   .     S
C881   C890    1.432   .     S
C881   C907    1.470   .     S
C883   C958    1.415   .     S
C883   C905    1.410   .     S
C883   C879    1.355   1_554 S
C886   C960    1.440   .     S
C886   C923    1.405   .     S
C890   C938    1.407   .     S
C890   C923    1.443   .     S
C891   C897    1.429   .     S
C891   C910    1.412   .     S
C891   C932    1.396   .     S
C893   C943    1.431   .     S
C893   C956    1.442   .     S
C895   C943    1.423   .     S
C895   C950    1.438   .     S
C897   C938    1.383   .     S
C897   C960    1.421   .     S
C899   C956    1.438   .     S
C899   C950    1.445   .     S
C901   C912    1.401   .     S
C902   C907    1.418   .     S
C902   H562    1.155   1_545 S
C905   C957    1.438   .     S
C908   C916    1.387   .     S
C910   C915    1.422   .     S
C911   C963    1.402   .     S
C914   C917    1.481   .     S
C915   C920    1.418   .     S
C920   C926    1.396   .     S
C926   C932    1.432   .     S
C927   C936    1.396   .     S
C939   C948    1.410   .     S
C958   C962    1.454   .     S
C959   C961    1.437   .     S
H651   C1047   1.062   .     S
H652   C1043   1.054   .     S
H653   C1026   1.090   .     S
H654   C1057   1.049   .     S
H655   C1072   1.121   .     S
H656   C1021   1.110   .     S
H657   C1029   1.155   .     S
H658   C1037   1.101   .     S
H659   C1044   1.082   .     S
H661   C1061   1.101   .     S
H662   C1067   1.147   .     S
H663   C1074   1.074   .     S
H664   C1083   1.092   .     S
H665   C1022   1.107   .     S
H666   C1024   1.069   .     S
H667   C983    1.078   .     S
H668   C982    1.097   .     S
H670   C984    1.080   .     S
H676   C1056   1.121   .     S
H677   C1058   1.062   .     S
H678   C1060   1.061   .     S
N162   C976    1.352   .     S
N162   C983    1.361   .     S
N163   C976    1.333   .     S
N163   C982    1.394   .     S
N164   C983    1.364   .     S
N164   C982    1.310   .     S
N168   C984    1.354   .     S
N168   C985    1.329   .     S
C976   C1000   1.447   .     S
C988   C1043   1.392   .     S
C988   C1047   1.418   .     S
C988   C994    1.434   .     S
C990   C998    1.462   .     S
C990   C1026   1.389   .     S
C990   C1043   1.421   .     S
C991   C1047   1.421   .     S
C991   C1026   1.421   .     S
C991   C1001   1.430   .     S
C994   C1037   1.406   .     S
C994   C1057   1.429   .     S
C996   C1061   1.420   .     S
C996   C1050   1.384   .     S
C996   C974    1.461   .     S
C998   C1044   1.406   .     S
C998   C1067   1.434   .     S
C1000  C1022   1.444   .     S
C1000  C1083   1.474   .     S
C1001  C1074   1.446   .     S
C1001  C1024   1.401   .     S
C1021  C1029   1.430   .     S
C1021  C1072   1.474   .     S
C1022  C1024   1.429   .     S
C1029  C1037   1.379   .     S
C1044  C1050   1.434   .     S
C1050  H660    1.107   .     S
C1056  C1058   1.413   .     S
C1056  C1054   1.443   .     S
C1057  C1072   1.430   .     S
C1058  C1060   1.455   .     S
C1060  C1013   1.450   .     S
C1061  C1067   1.426   .     S
C1074  C1083   1.389   .     S
H751   C1174   1.111   .     S
H752   C1176   1.087   .     S
N197   C1204   1.343   .     S
N197   C1202   1.357   .     S
C1204  C1229   1.405   .     S
C1204  N198    1.374   .     S
H791   C1331   1.163   1_554 S
H813   C1259   1.137   .     S
H814   C1253   1.089   .     S
H815   C1256   1.109   .     S
H816   C1260   1.087   .     S
H817   C1262   1.125   .     S
H818   C1264   1.142   .     S
H819   C1266   1.097   .     S
H820   C1268   1.096   .     S
H821   C1271   1.076   .     S
H822   C1273   1.149   .     S
H824   C1278   1.082   .     S
H825   C1281   1.102   .     S
H826   C1283   1.090   .     S
H827   C1285   1.115   .     S
H828   C1287   1.127   .     S
H829   C1289   1.098   .     S
C1222  C1259   1.405   .     S
C1222  C1253   1.409   .     S
C1222  C1227   1.430   .     S
C1223  C1256   1.470   .     S
C1223  C1253   1.419   .     S
C1223  C1231   1.428   .     S
C1224  C1234   1.458   .     S
C1224  C1256   1.413   .     S
C1224  C1259   1.414   .     S
C1227  C1260   1.439   .     S
C1227  C1268   1.455   .     S
C1229  C1273   1.374   .     S
C1229  C1276   1.430   .     S
C1231  C1271   1.411   .     S
C1231  C1278   1.427   .     S
C1234  C1289   1.408   .     S
C1234  C1281   1.481   .     S
C1260  C1262   1.420   .     S
C1262  C1264   1.448   .     S
C1264  C1266   1.451   .     S
C1266  C1268   1.393   .     S
C1271  C1273   1.438   .     S
C1276  C1278   1.449   .     S
C1276  H823    1.150   .     S
C1281  C1283   1.404   .     S
C1283  C1285   1.402   .     S
C1285  C1287   1.441   .     S
C1287  C1289   1.418   .     S
H851   C1362   1.127   .     S
H856   C1361   1.164   .     S
H858   C1365   1.049   .     S
H859   C1352   1.143   .     S
H860   C1359   1.088   .     S
H861   C1353   1.163   .     S
H862   C1358   1.117   .     S
C1343  C1358   1.429   .     S
C1343  C1353   1.365   .     S
C1343  C1333   1.446   1_554 S
C1344  C1345   1.504   .     S
C1344  C1357   1.392   .     S
C1344  C1362   1.411   .     S
C1345  C1356   1.481   .     S
C1345  C1359   1.410   .     S
C1346  C1355   1.428   .     S
C1346  C1348   1.451   .     S
C1346  C1362   1.432   .     S
C1348  C1352   1.411   .     S
C1348  C1361   1.425   .     S
C1352  C1365   1.436   .     S
C1353  C1359   1.445   .     S
C1355  H850    1.100   .     S
C1355  C1350   1.400   .     S
C1356  C1358   1.421   .     S
C1356  H863    1.145   .     S
C1357  H849    1.135   .     S
C1357  C1350   1.408   .     S
C1361  C1364   1.404   .     S
C1365  C1347   1.382   .     S
N229   C1474   1.342   .     S
N229   C1374   1.328   .     S
N230   C1374   1.382   .     S
N230   C1481   1.341   .     S
N231   C1474   1.304   .     S
N231   C1481   1.343   .     S
N232   C1477   1.344   .     S
N232   C1482   1.353   .     S
N233   C1477   1.340   .     S
N233   C1375   1.345   .     S
N234   C1482   1.390   .     S
N234   C1375   1.337   .     S
C1374  C1407   1.405   .     S
C1375  C1391   1.438   .     S
H874   C1441   1.056   .     S
H875   C1457   1.145   .     S
H876   C1426   1.073   .     S
H877   C1447   1.101   .     S
H878   C1458   1.158   .     S
H879   C1416   1.091   .     S
H880   C1430   1.125   .     S
H885   C1410   1.092   .     S
H886   C1413   1.089   .     S
H887   C1422   1.129   .     S
H888   C1428   1.109   .     S
H935   C1474   1.082   .     S
H937   C1481   1.078   .     S
H938   C1482   1.123   .     S
H940   C1477   1.096   .     S
C1378  C1447   1.414   .     S
C1378  C1383   1.425   .     S
C1378  C1430   1.435   .     S
C1383  C1441   1.422   .     S
C1383  C1457   1.467   .     S
C1389  C1457   1.440   .     S
C1389  C1426   1.424   .     S
C1389  C1386   1.469   .     S
C1391  C1422   1.475   .     S
C1391  C1413   1.422   .     S
C1395  C1396   1.467   .     S
C1395  C1428   1.409   .     S
C1395  C1410   1.407   .     S
C1396  C1441   1.400   .     S
C1396  C1426   1.464   .     S
C1407  C1416   1.413   .     S
C1407  C1458   1.413   .     S
C1410  C1413   1.442   .     S
C1416  C1430   1.437   .     S
C1422  C1428   1.417   .     S
C1447  C1458   1.394   .     S
N5     C2      1.338   .     S
N5     C11     1.373   .     S
C2     H26     1.068   .     S
C2     N4      1.360   .     S
H8     C58     1.132   .     S
C40    C58     1.479   .     S
C40    H9      1.106   .     S
C40    C19     1.434   .     S
C58    C28     1.434   .     S
N16    C68     1.336   .     S
N16    C66     1.339   .     S
N17    C64     1.358   .     S
N17    C66     1.338   .     S
N18    C68     1.362   .     S
N18    C64     1.334   .     S
C64    C96     1.438   .     S
C68    C116    1.413   .     S
H47    C197    1.099   .     S
H48    C150    1.128   .     S
H49    C159    1.109   .     S
H62    C215    1.075   .     S
H64    C200    1.058   .     S
H65    C126    1.059   .     S
H66    C131    1.039   .     S
H67    C138    1.080   .     S
H68    C142    1.128   .     S
H98    C195    1.094   .     S
C85    C175    1.404   .     S
C85    C98     1.506   .     S
C85    C215    1.403   .     S
C87    C175    1.441   .     S
C87    C200    1.432   .     S
C87    C107    1.471   .     S
C90    C215    1.424   .     S
C90    C200    1.412   .     S
C90    C113    1.434   1_554 S
C96    C138    1.423   .     S
C96    C131    1.451   .     S
C98    C126    1.446   .     S
C98    C142    1.416   .     S
C116   C195    1.443   .     S
C121   C150    1.460   .     S
C121   C197    1.372   .     S
C126   C131    1.426   .     S
C138   C142    1.429   .     S
C150   C81     1.422   .     S
C175   H63     1.047   .     S
C197   C111    1.448   .     S
H178   C339    1.059   1_554 S
H297   C459    1.124   .     S
C459   C471    1.434   .     S
N76    C486    1.345   .     S
N76    C484    1.344   .     S
N77    C484    1.345   .     S
N77    C480    1.373   .     S
N78    C486    1.351   .     S
N78    C480    1.349   .     S
N82    C492    1.356   .     S
N82    C482    1.352   .     S
N83    C483    1.335   .     S
N83    C482    1.369   .     S
N84    C492    1.349   .     S
N84    C483    1.363   .     S
C480   H337    1.101   .     S
C483   H375    1.078   .     S
H329   C551    1.075   .     S
H358   C549    1.074   .     S
H359   C543    1.114   .     S
H360   C546    1.143   .     S
H366   C561    1.055   .     S
H367   C563    1.080   .     S
H368   C566    1.158   .     S
H369   C568    1.083   .     S
H373   C578    1.081   .     S
C484   C515    1.435   .     S
C486   C506    1.411   1_554 S
C492   C518    1.434   .     S
C511   C543    1.363   .     S
C511   C549    1.437   .     S
C511   C516    1.419   .     S
C512   C546    1.420   .     S
C512   C543    1.456   .     S
C512   C520    1.408   .     S
C513   C524    1.430   .     S
C513   C549    1.445   .     S
C513   C546    1.440   .     S
C515   C551    1.415   .     S
C515   C557    1.453   1_655 S
C518   C566    1.438   .     S
C518   C563    1.426   .     S
C520   C561    1.474   .     S
C520   C568    1.426   .     S
C524   C578    1.445   .     S
C524   C571    1.473   1_655 S
C551   C544    1.386   1_655 S
C561   C563    1.429   .     S
C566   C568    1.377   .     S
C578   C576    1.440   1_655 S
N112   C690    1.328   1_655 S
N112   C681    1.346   1_655 S
H461   C736    1.137   .     S
H463   C731    1.053   .     S
H470   C727    1.096   .     S
H471   C729    1.116   .     S
H481   C681    1.139   1_655 S
C701   C731    1.410   .     S
C701   C764    1.456   .     S
C701   C708    1.426   .     S
C702   C736    1.423   .     S
C702   C731    1.418   .     S
C702   C713    1.433   .     S
C707   C727    1.407   .     S
C707   C724    1.432   1_655 S
C707   C690    1.434   1_655 S
C708   C722    1.437   .     S
C708   C729    1.448   .     S
C722   H468    1.066   1_655 S
C722   C724    1.435   1_655 S
C727   C729    1.417   .     S
C736   C700    1.459   .     S
C764   H462    1.088   .     S
C764   C700    1.407   .     S
N127   C771    1.333   .     S
N127   C780    1.344   .     S
N128   C770    1.368   .     S
N128   C780    1.344   .     S
N129   C771    1.315   .     S
N129   C770    1.340   .     S
C770   H517    1.153   .     S
C771   H515    1.138   .     S
H488   C814    1.106   .     S
H491   C849    1.081   .     S
H492   C834    1.140   .     S
H493   C855    1.073   .     S
H514   C823    1.085   .     S
H516   C840    1.115   .     S
H534   C836    1.074   .     S
H535   C850    1.069   .     S
H537   C842    1.105   .     S
H543   C852    1.089   .     S
C780   C808    1.382   .     S
C788   C813    1.454   .     S
C788   C823    1.429   .     S
C788   C846    1.422   1_655 S
C789   C840    1.403   .     S
C789   C803    1.464   .     S
C789   C836    1.401   .     S
C792   C807    1.439   .     S
C792   C834    1.452   .     S
C792   C818    1.416   1_655 S
C803   C850    1.440   .     S
C803   C814    1.395   .     S
C807   C836    1.400   .     S
C807   C843    1.452   .     S
C808   C852    1.430   .     S
C808   C842    1.406   .     S
C813   C843    1.435   .     S
C813   C840    1.401   .     S
C814   C852    1.427   .     S
C823   C855    1.384   .     S
C834   C849    1.389   .     S
C842   C850    1.448   .     S
C843   H513    1.077   1_655 S
C849   C805    1.459   1_655 S
C855   C812    1.402   1_655 S
N151   C970    1.322   .     S
N151   C866    1.393   .     S
N152   C970    1.343   .     S
N152   C964    1.362   .     S
N153   C964    1.302   .     S
N153   C866    1.369   .     S
C866   C871    1.439   .     S
H576   C924    1.125   .     S
H577   C941    1.115   .     S
H578   C904    1.138   .     S
H595   C970    1.083   .     S
H596   C964    1.118   .     S
C871   C941    1.420   .     S
C871   C904    1.443   .     S
C904   C909    1.457   .     S
C924   C941    1.478   .     S
H852   C1363   1.111   .     S
H853   C1360   1.104   .     S
H854   C1351   1.096   .     S
H855   C1354   1.136   .     S
H866   C1340   1.098   .     S
H867   C1341   1.129   .     S
N210   C1340   1.342   .     S
N210   C1335   1.312   .     S
N211   C1341   1.341   .     S
N211   C1340   1.358   .     S
N213   C1335   1.336   .     S
N213   C1341   1.387   .     S
C1335  C1342   1.378   .     S
C1342  C1360   1.477   .     S
C1342  C1351   1.427   .     S
C1349  C1350   1.460   .     S
C1349  C1363   1.407   .     S
C1349  C1354   1.398   .     S
C1351  C1354   1.419   .     S
C1360  C1363   1.389   .     S
H917   C1425   1.124   .     S
H918   C1427   1.101   .     S
H919   C1429   1.132   .     S
C1425  C1427   1.461   .     S
C1425  C1397   1.413   1_554 S
C1427  C1429   1.401   .     S
C1429  C1431   1.420   .     S
C1431  H920    1.080   1_554 S
C1431  C1433   1.438   1_554 S
N7     C4      1.367   .     S
N7     C5      1.359   .     S
N8     C4      1.393   .     S
N8     C13     1.370   .     S
N9     C13     1.392   .     S
N9     C5      1.331   .     S
C4     H30     1.100   .     S
C5     H29     1.042   .     S
H22    C37     1.089   .     S
C13    C20     1.392   .     S
C20    C37     1.425   .     S
C20    C43     1.442   .     S
C37    C54     1.451   .     S
N22    C69     1.315   .     S
N22    C71     1.345   .     S
N23    C69     1.364   .     S
N23    C70     1.334   .     S
N24    C71     1.343   .     S
N24    C70     1.351   .     S
C69    C93     1.472   .     S
C71    C112    1.453   .     S
H99    C124    1.124   .     S
H104   C130    1.118   .     S
H105   C132    1.107   .     S
H115   C164    1.071   .     S
H116   C158    1.061   .     S
H117   C161    1.073   .     S
H118   C165    1.066   .     S
H119   C167    1.099   .     S
H122   C173    1.116   .     S
H123   C176    1.098   .     S
H124   C178    1.071   .     S
H125   C180    1.082   .     S
H126   C182    1.094   .     S
H127   C184    1.051   .     S
H128   C187    1.034   .     S
H129   C189    1.108   .     S
H130   C192    1.078   .     S
H131   C194    1.117   .     S
C89    C124    1.416   .     S
C89    C95     1.411   .     S
C93    C130    1.410   .     S
C95    C132    1.421   .     S
C102   C164    1.394   .     S
C102   C108    1.428   .     S
C102   C158    1.417   .     S
C104   C158    1.412   .     S
C104   C161    1.443   .     S
C104   C110    1.444   .     S
C105   C164    1.501   .     S
C105   C114    1.484   .     S
C105   C161    1.427   .     S
C108   C173    1.431   .     S
C108   C165    1.444   .     S
C110   C184    1.408   .     S
C110   C176    1.442   .     S
C112   C192    1.429   .     S
C112   C189    1.412   .     S
C114   C187    1.466   .     S
C114   C194    1.470   .     S
C124   C92     1.423   .     S
C130   C132    1.435   .     S
C165   C167    1.388   .     S
C167   C169    1.396   .     S
C173   C171    1.418   .     S
C176   C178    1.406   .     S
C178   C180    1.453   .     S
C180   C182    1.379   .     S
C182   C184    1.389   .     S
C187   C189    1.384   .     S
C192   C194    1.403   .     S
N37    C229    1.357   .     S
N37    C237    1.402   .     S
N38    C229    1.364   .     S
N38    C231    1.375   .     S
N39    C231    1.350   .     S
N39    C237    1.325   .     S
N41    C235    1.320   .     S
N41    C230    1.351   .     S
N42    C235    1.337   .     S
C229   H162    1.099   .     S
C231   H160    1.090   .     S
H149   C259    1.086   .     S
H150   C250    1.077   .     S
H151   C255    1.168   .     S
H152   C260    1.108   .     S
H153   C256    1.153   .     S
H154   C253    1.078   .     S
H155   C254    1.122   .     S
H156   C251    1.077   .     S
H159   C248    1.129   .     S
H164   C252    1.073   .     S
H165   C258    1.055   .     S
C235   C245    1.428   .     S
C237   C238    1.474   .     S
C238   C254    1.432   .     S
C238   C253    1.447   .     S
C239   C241    1.417   .     S
C239   C258    1.431   .     S
C239   C252    1.423   .     S
C241   C251    1.398   .     S
C241   C256    1.487   .     S
C242   C248    1.431   .     S
C242   C252    1.423   .     S
C242   C240    1.463   .     S
C243   C259    1.401   .     S
C243   C244    1.413   .     S
C243   C260    1.434   .     S
C244   C258    1.451   .     S
C244   C248    1.473   .     S
C245   C250    1.464   .     S
C245   C255    1.470   .     S
C250   C259    1.417   .     S
C251   C254    1.396   .     S
C253   C256    1.396   .     S
C255   C260    1.407   .     S
C267   C282    1.390   .     S
C267   N53     1.352   .     S
C267   N54     1.380   .     S
H213   C398    1.139   .     S
H214   C435    1.125   .     S
H215   C373    1.092   .     S
H220   C411    1.068   .     S
H221   C421    1.127   .     S
H222   C326    1.099   .     S
H223   C345    1.076   .     S
H224   C351    1.071   .     S
H225   C356    1.047   .     S
H226   C362    1.059   .     S
H227   C382    1.085   .     S
H228   C385    1.090   .     S
H230   C403    1.120   .     S
H231   C408    1.106   .     S
H235   C439    1.085   1_455 S
H236   C327    1.121   .     S
H237   C329    1.134   .     S
H238   C331    1.160   .     S
H239   C333    1.156   .     S
H240   C335    1.131   .     S
H241   C338    1.098   .     S
H242   C340    1.138   .     S
H251   C364    1.124   .     S
H252   C366    1.093   .     S
H253   C368    1.103   .     S
H254   C370    1.079   .     S
H255   C372    1.113   .     S
C273   C373    1.396   .     S
C273   C283    1.436   .     S
C273   C398    1.417   .     S
C277   C322    1.375   .     S
C280   C351    1.425   .     S
C280   C324    1.425   .     S
C280   C411    1.402   .     S
C282   C362    1.386   .     S
C282   C382    1.453   .     S
C283   C356    1.443   .     S
C283   C385    1.461   .     S
C285   C418    1.422   .     S
C285   C403    1.405   .     S
C285   C291    1.453   1_455 S
C286   C408    1.483   .     S
C286   C292    1.412   .     S
C286   C403    1.394   .     S
C288   C418    1.414   .     S
C288   C408    1.420   .     S
C288   C294    1.455   .     S
C292   C335    1.422   .     S
C292   C327    1.411   .     S
C294   C338    1.442   .     S
C294   C346    1.438   .     S
C302   C364    1.410   .     S
C302   C372    1.422   .     S
C302   C298    1.456   1_554 S
C322   C398    1.379   .     S
C322   C435    1.441   .     S
C324   C435    1.417   .     S
C324   C373    1.426   .     S
C326   C345    1.409   .     S
C326   C421    1.481   .     S
C327   C329    1.413   .     S
C329   C331    1.446   .     S
C331   C333    1.417   .     S
C333   C335    1.426   .     S
C338   C340    1.388   .     S
C340   C342    1.373   1_455 S
C345   C351    1.394   .     S
C346   H245    1.091   1_455 S
C346   C344    1.435   1_455 S
C356   C362    1.441   .     S
C364   C366    1.423   .     S
C366   C368    1.437   .     S
C368   C370    1.414   .     S
C370   C372    1.419   .     S
C382   C385    1.443   .     S
C411   C421    1.404   .     S
C418   H229    1.093   1_455 S
N62    C447    1.358   .     S
N62    C445    1.360   .     S
N63    C447    1.355   .     S
N63    C449    1.350   .     S
C447   H304    1.142   .     S
H285   C460    1.144   .     S
H286   C466    1.069   .     S
H289   C474    1.099   .     S
H290   C463    1.129   .     S
H291   C467    1.135   .     S
H292   C472    1.161   .     S
H293   C468    1.152   .     S
C449   C451    1.422   .     S
C449   N61     1.299   .     S
C451   C468    1.404   .     S
C451   C470    1.376   .     S
C452   C472    1.432   .     S
C452   C458    1.460   .     S
C452   C465    1.435   .     S
C456   C467    1.390   .     S
C456   C457    1.421   .     S
C456   C473    1.446   .     S
C457   C460    1.448   .     S
C457   C469    1.455   .     S
C458   C460    1.417   .     S
C458   C466    1.416   .     S
C463   C474    1.392   .     S
C463   C467    1.400   .     S
C466   C454    1.420   .     S
C468   C472    1.408   .     S
C474   C461    1.385   .     S
H402   C670    1.105   .     S
H405   C652    1.087   .     S
H415   C633    1.122   .     S
H416   C635    1.055   .     S
H429   C600    1.134   .     S
N94    C593    1.365   .     S
N94    C600    1.338   .     S
N95    C598    1.350   .     S
N95    C593    1.415   .     S
N96    C600    1.377   .     S
N96    C598    1.339   .     S
C593   C603    1.426   .     S
C598   H430    1.142   1_455 S
C603   C652    1.434   .     S
C633   C635    1.396   .     S
C670   C671    1.407   .     S
C670   C661    1.416   .     S
N110   C679    1.324   .     S
N110   C689    1.326   .     S
N111   C679    1.345   .     S
N111   C680    1.333   .     S
C679   H479    1.110   .     S
C680   N109    1.356   1_455 S
C680   H476    1.119   1_455 S
H474   C737    1.066   .     S
C689   N109    1.357   1_455 S
C689   C711    1.439   1_455 S
C737   C711    1.440   1_455 S
C737   C739    1.396   1_455 S
N121   C781    1.350   .     S
N121   C784    1.319   .     S
N122   C767    1.354   .     S
N122   C781    1.342   .     S
N123   C767    1.344   .     S
N123   C784    1.332   .     S
N124   C768    1.361   .     S
N124   C769    1.334   .     S
N125   C768    1.336   .     S
N125   C779    1.338   .     S
N126   C779    1.408   .     S
N126   C769    1.370   .     S
N133   C785    1.372   .     S
N133   C774    1.326   .     S
N134   C774    1.299   .     S
N134   C775    1.313   .     S
N135   C775    1.320   .     S
N135   C785    1.344   .     S
C767   H494    1.106   .     S
C768   H512    1.113   .     S
C769   H511    1.123   .     S
C774   H538    1.116   .     S
C775   H539    1.100   .     S
H490   C828    1.171   .     S
H496   C829    1.084   .     S
H497   C816    1.075   .     S
H498   C845    1.126   .     S
H499   C835    1.086   .     S
H500   C824    1.084   .     S
H501   C847    1.113   .     S
H502   C858    1.112   .     S
H503   C821    1.088   .     S
H504   C826    1.063   .     S
H505   C833    1.128   .     S
H506   C838    1.103   .     S
H507   C844    1.077   .     S
H508   C848    1.159   .     S
H509   C854    1.183   .     S
H510   C856    1.092   .     S
C779   C810    1.410   .     S
C781   C805    1.415   .     S
C784   C794    1.451   .     S
C785   C801    1.438   .     S
C787   C829    1.382   .     S
C787   C809    1.417   .     S
C787   C845    1.431   .     S
C794   C824    1.435   .     S
C794   C847    1.406   .     S
C797   C811    1.429   .     S
C797   C835    1.444   .     S
C797   C858    1.424   .     S
C801   C833    1.451   .     S
C801   C826    1.383   .     S
C804   C816    1.398   .     S
C804   C845    1.394   .     S
C804   C806    1.438   .     S
C805   C828    1.396   .     S
C805   C849    1.459   1_455 S
C806   C838    1.422   .     S
C806   C821    1.435   .     S
C809   C856    1.424   .     S
C809   C844    1.499   .     S
C810   C848    1.446   .     S
C810   C854    1.480   .     S
C811   C816    1.432   .     S
C811   C829    1.455   .     S
C821   C826    1.492   .     S
C824   C835    1.439   .     S
C833   C838    1.436   .     S
C844   C848    1.426   .     S
C847   C858    1.415   .     S
C854   C856    1.405   .     S
N146   C863    1.402   .     S
N146   C965    1.364   .     S
N147   C863    1.399   .     S
N147   C864    1.363   1_565 S
N148   C971    1.343   .     S
N148   C972    1.360   .     S
N154   C966    1.304   .     S
N154   C867    1.314   .     S
N155   C966    1.349   .     S
N155   C969    1.343   .     S
N156   C867    1.369   .     S
N156   C969    1.337   .     S
C863   C894    1.430   .     S
C867   C898    1.485   .     S
H562   C902    1.155   1_565 S
H589   C965    1.044   .     S
H591   C972    1.119   .     S
H593   C971    1.153   .     S
H597   C928    1.106   .     S
H598   C922    1.100   .     S
H599   C925    1.107   .     S
H600   C929    1.118   .     S
H601   C931    1.142   .     S
H602   C933    1.103   .     S
H603   C935    1.096   .     S
H604   C937    1.047   .     S
H605   C940    1.101   .     S
H606   C942    1.144   .     S
H607   C945    1.073   .     S
H608   C947    1.143   .     S
H609   C949    1.093   .     S
H610   C951    1.109   .     S
H611   C953    1.103   .     S
H612   C955    1.086   .     S
H613   C966    1.114   .     S
H615   C969    1.111   .     S
C887   C928    1.399   .     S
C887   C922    1.429   .     S
C887   C892    1.424   .     S
C888   C925    1.390   .     S
C888   C896    1.443   .     S
C888   C922    1.410   .     S
C889   C925    1.427   .     S
C889   C900    1.497   .     S
C889   C928    1.486   .     S
C892   C929    1.455   .     S
C892   C937    1.391   .     S
C894   C942    1.419   .     S
C894   C945    1.435   .     S
C896   C947    1.466   .     S
C896   C940    1.459   .     S
C898   C953    1.456   .     S
C898   C951    1.447   .     S
C900   C949    1.407   .     S
C900   C955    1.428   .     S
C929   C931    1.461   .     S
C931   C933    1.393   .     S
C933   C935    1.414   .     S
C935   C937    1.413   .     S
C940   C942    1.440   .     S
C945   C947    1.423   .     S
C949   C951    1.451   .     S
C953   C955    1.439   .     S
C965   N145    1.335   1_565 S
H617   C981    1.054   .     S
H618   C1062   1.097   .     S
H619   C1025   1.077   .     S
H620   C1069   1.074   .     S
H621   C1035   1.138   .     S
H622   C1059   1.075   .     S
H623   C1082   1.098   .     S
H624   C1027   1.122   .     S
H625   C1041   1.153   .     S
H626   C1034   1.059   .     S
H627   C1053   1.061   .     S
H628   C1042   1.115   .     S
H629   C1033   1.099   .     S
H630   C1076   1.093   .     S
H631   C1038   1.085   .     S
H632   C1055   1.123   .     S
H633   C987    1.122   .     S
H634   C986    1.074   .     S
H635   C1078   1.080   .     S
H636   C1064   1.050   .     S
H637   C1071   1.115   .     S
H638   C1080   1.058   .     S
H639   C1030   1.108   .     S
H640   C1023   1.139   .     S
H641   C1028   1.104   .     S
H642   C1036   1.081   .     S
H643   C1040   1.099   .     S
H646   C1020   1.071   .     S
H647   C1032   1.132   .     S
H648   C1046   1.066   .     S
H649   C1031   1.065   .     S
H650   C1039   1.124   .     S
H672   C1045   1.043   .     S
H679   C1063   1.129   .     S
H680   C1065   1.107   .     S
N157   C981    1.363   .     S
N157   C973    1.324   .     S
N158   C973    1.362   .     S
N158   C979    1.316   .     S
N159   C977    1.355   .     S
N159   C974    1.372   .     S
N160   C975    1.332   .     S
N160   C974    1.331   .     S
N161   C975    1.357   .     S
N161   C977    1.354   .     S
N165   C985    1.382   .     S
N165   C978    1.364   .     S
N166   C984    1.336   .     S
N166   C978    1.377   .     S
N167   C986    1.338   .     S
N167   C987    1.356   .     S
N169   C986    1.374   .     S
N169   C980    1.354   .     S
N170   C987    1.400   .     S
N170   C980    1.354   .     S
N171   C981    1.332   .     S
N171   C979    1.321   .     S
C973   C1014   1.448   .     S
C975   C992    1.452   .     S
C977   C1017   1.401   .     S
C978   C999    1.417   .     S
C979   C993    1.430   .     S
C980   C1004   1.397   .     S
C985   H669    1.093   1_455 S
C989   C1041   1.441   .     S
C989   C1042   1.408   .     S
C989   C1011   1.419   .     S
C992   C1046   1.469   .     S
C992   C1031   1.470   .     S
C993   C1038   1.390   .     S
C993   C1076   1.488   .     S
C995   C1062   1.408   .     S
C995   C1069   1.427   .     S
C995   C997    1.455   .     S
C997   C1055   1.398   .     S
C997   C1033   1.377   .     S
C999   C1023   1.428   .     S
C999   C1030   1.468   .     S
C1002  C1036   1.446   .     S
C1002  C1015   1.422   .     S
C1002  C1020   1.413   .     S
C1003  C1012   1.467   .     S
C1003  C1028   1.438   .     S
C1003  C1080   1.409   .     S
C1004  C1053   1.419   .     S
C1004  C1034   1.468   .     S
C1005  C1010   1.442   .     S
C1005  C1035   1.420   .     S
C1005  C1027   1.450   .     S
C1006  C1018   1.414   .     S
C1006  C1039   1.470   .     S
C1006  C1032   1.477   .     S
C1010  C1025   1.411   .     S
C1010  C1062   1.422   .     S
C1011  C1025   1.420   .     S
C1011  C1069   1.418   .     S
C1012  C1064   1.434   .     S
C1012  C1078   1.423   .     S
C1014  C1065   1.418   .     S
C1014  C1068   1.487   .     S
C1015  C1064   1.429   .     S
C1015  C1071   1.449   .     S
C1017  C1082   1.424   .     S
C1017  C1059   1.446   .     S
C1018  C1078   1.444   .     S
C1018  C1071   1.395   .     S
C1020  C1066   1.443   .     S
C1023  C1028   1.411   .     S
C1027  C1082   1.403   .     S
C1030  C1080   1.404   .     S
C1031  C1039   1.437   .     S
C1032  C1046   1.445   .     S
C1033  C1076   1.423   .     S
C1034  C1041   1.420   .     S
C1035  C1059   1.458   .     S
C1036  C1040   1.403   .     S
C1038  C1055   1.449   .     S
C1040  C1049   1.371   .     S
C1042  C1053   1.340   .     S
C1049  C1066   1.399   .     S
C1049  H644    1.098   1_554 S
C1063  C1065   1.415   .     S
C1063  C1016   1.414   .     S
C1066  H645    1.118   1_554 S
H734   C1173   1.129   1_554 S
H759   C1102   1.130   .     S
H760   C1104   1.101   .     S
N190   C1093   1.306   .     S
N190   C1102   1.361   .     S
N191   C1102   1.347   .     S
N191   C1104   1.341   .     S
N192   C1093   1.373   .     S
N192   C1104   1.346   .     S
C1093  C1113   1.419   1_554 S
N196   C1202   1.321   .     S
N196   C1329   1.324   .     S
N198   C1329   1.354   .     S
C1202  C1226   1.478   .     S
H771   C1329   1.124   .     S
H788   C1288   1.134   1_554 S
H847   C1338   1.123   .     S
H848   C1336   1.099   .     S
H857   C1364   1.181   .     S
N205   C1334   1.352   .     S
N205   C1336   1.375   .     S
N207   C1338   1.352   .     S
N207   C1334   1.347   .     S
N212   C1338   1.341   .     S
N212   C1336   1.328   .     S
C1334  C1347   1.397   .     S
C1347  C1364   1.428   .     S
N4     C3      1.392   .     S
N6     C11     1.389   .     S
N6     C3      1.371   .     S
C3     H25     1.122   .     S
H6     C48     1.074   .     S
H7     C60     1.130   .     S
C11    C28     1.412   .     S
C28    C60     1.421   .     S
C48    C60     1.441   .     S
C48    C19     1.403   .     S
N28    C222    1.385   .     S
N28    C226    1.336   .     S
N29    C222    1.368   .     S
N29    C73     1.391   .     S
N30    C73     1.343   .     S
N30    C226    1.396   .     S
N34    C75     1.361   .     S
N34    C228    1.370   .     S
N35    C225    1.364   .     S
N35    C75     1.403   .     S
N36    C228    1.333   .     S
N36    C225    1.394   .     S
C66    C80     1.422   .     S
C73    C103    1.439   .     S
C75    C94     1.390   .     S
H46    C147    1.130   .     S
H50    C201    1.079   .     S
H51    C140    1.152   .     S
H52    C152    1.111   .     S
H58    C206    1.095   .     S
H59    C166    1.083   .     S
H60    C217    1.073   .     S
H61    C136    1.077   .     S
H71    C162    1.073   .     S
H72    C168    1.071   .     S
H120   C169    1.059   .     S
H121   C171    1.055   .     S
H135   C226    1.108   .     S
H142   C228    1.096   .     S
H144   C225    1.120   .     S
C80    C217    1.431   .     S
C80    C166    1.410   .     S
C81    C83     1.388   .     S
C81    C147    1.421   .     S
C83    C136    1.414   .     S
C83    C206    1.461   .     S
C94    C140    1.466   .     S
C94    C201    1.401   .     S
C103   C162    1.516   .     S
C103   C154    1.422   .     S
C106   C152    1.429   .     S
C106   C111    1.443   .     S
C106   C159    1.448   .     S
C107   C168    1.447   .     S
C107   C149    1.476   .     S
C111   C147    1.434   .     S
C136   C217    1.414   .     S
C140   C152    1.425   .     S
C149   C154    1.375   .     S
C149   H69     1.095   1_554 S
C154   H70     1.038   1_554 S
C159   C201    1.455   .     S
C162   C168    1.447   .     S
C166   C206    1.416   .     S
C169   C171    1.396   .     S
C222   H137    1.020   1_554 S
N49    C266    1.342   .     S
N49    C263    1.320   .     S
N50    C443    1.381   .     S
N50    C263    1.353   .     S
N51    C266    1.403   .     S
N51    C443    1.373   .     S
N52    C444    1.379   .     S
N52    C268    1.357   .     S
N53    C444    1.343   .     S
N54    C268    1.313   .     S
C263   C290    1.445   .     S
C266   C315    1.434   .     S
C268   C314    1.428   .     S
H182   C389    1.086   .     S
H183   C399    1.116   .     S
H184   C415    1.098   .     S
H207   C397    1.147   .     S
H208   C443    1.097   .     S
H209   C402    1.085   .     S
H211   C444    1.117   .     S
H212   C423    1.120   .     S
H229   C418    1.093   1_655 S
H232   C419    1.147   .     S
H233   C424    1.096   .     S
H234   C433    1.105   .     S
H243   C342    1.056   .     S
H244   C344    1.109   .     S
H245   C346    1.091   1_655 S
H246   C426    1.070   1_554 S
H247   C350    1.087   .     S
C290   C433    1.437   .     S
C290   C424    1.458   .     S
C291   C419    1.438   .     S
C291   C439    1.470   .     S
C291   C285    1.453   1_655 S
C296   C318    1.436   .     S
C296   C350    1.427   .     S
C296   C397    1.423   .     S
C314   C399    1.456   .     S
C314   C415    1.378   .     S
C315   C423    1.445   .     S
C315   C402    1.430   .     S
C318   C400    1.451   1_554 S
C318   C426    1.459   1_554 S
C342   C344    1.431   .     S
C342   C340    1.373   1_655 S
C344   C346    1.435   1_655 S
C350   C423    1.435   .     S
C389   C399    1.413   .     S
C389   C323    1.419   1_554 S
C397   C402    1.384   .     S
C415   C428    1.443   1_554 S
C419   C424    1.410   .     S
C433   C439    1.435   .     S
C439   H235    1.085   1_655 S
N61    C445    1.309   .     S
C445   H300    1.131   .     S
H287   C473    1.117   .     S
H288   C461    1.172   .     S
H294   C470    1.108   .     S
H295   C465    1.130   .     S
H296   C471    1.115   .     S
H302   C469    1.133   .     S
C454   C469    1.427   .     S
C454   C455    1.440   .     S
C455   C471    1.434   .     S
C461   C473    1.432   .     S
C465   C470    1.431   .     S
H361   C550    1.070   .     S
H362   C552    1.076   .     S
H363   C554    1.117   .     S
H364   C556    1.083   .     S
H365   C558    1.135   .     S
C516   C558    1.424   .     S
C516   C550    1.410   .     S
C550   C552    1.448   .     S
C552   C554    1.465   .     S
C554   C556    1.425   .     S
C556   C558    1.421   .     S
H430   C598    1.142   1_655 S
N109   C689    1.357   1_655 S
N109   C680    1.356   1_655 S
H472   C732    1.083   .     S
H473   C734    1.057   .     S
H476   C680    1.119   1_655 S
C711   C734    1.442   .     S
C711   C737    1.440   1_655 S
C711   C689    1.439   1_655 S
C713   C732    1.422   .     S
C713   C739    1.421   .     S
C732   C734    1.454   .     S
C739   C737    1.396   1_655 S
C739   H475    1.139   1_655 S
H669   C985    1.093   1_655 S
H41    C144    1.085   .     S
H42    C186    1.072   .     S
H43    C177    1.108   .     S
H44    C188    1.080   .     S
H45    C128    1.113   .     S
H106   C135    1.132   .     S
H107   C137    1.141   .     S
H108   C139    1.150   .     S
H109   C141    1.058   .     S
H110   C143    1.098   .     S
H136   C202    1.135   1_556 S
C91    C97     1.379   .     S
C91    C214    1.487   .     S
C97    C135    1.453   .     S
C97    C143    1.442   .     S
C101   C144    1.449   .     S
C101   C128    1.409   .     S
C101   C119    1.457   .     S
C119   C208    1.425   1_556 S
C119   C202    1.430   1_556 S
C128   C188    1.395   .     S
C135   C137    1.434   .     S
C137   C139    1.429   .     S
C139   C141    1.449   .     S
C141   C143    1.449   .     S
C144   C186    1.434   .     S
C177   C186    1.437   .     S
C177   C188    1.431   .     S
N58    C441    1.324   .     S
N58    C272    1.350   1_556 S
N59    C441    1.356   .     S
N59    C442    1.316   .     S
H217   C354    1.086   1_556 S
H266   C441    1.150   .     S
C442   N60     1.355   1_556 S
C442   H267    1.121   1_556 S
H378   C647    1.140   .     S
H383   C636    1.161   .     S
H384   C659    1.127   .     S
H390   C634    1.091   .     S
H396   C663    1.062   .     S
H398   C650    1.073   .     S
H399   C667    1.100   .     S
H408   C642    1.064   .     S
H409   C648    1.035   .     S
H410   C653    1.104   .     S
H411   C665    1.153   .     S
H421   C646    1.076   .     S
N85    C591    1.389   .     S
N85    C590    1.333   .     S
N86    C590    1.391   .     S
N86    C596    1.352   .     S
N87    C596    1.359   .     S
N87    C591    1.349   .     S
N88    C592    1.337   .     S
N88    C599    1.364   .     S
N89    C589    1.371   .     S
N89    C599    1.349   .     S
N90    C589    1.349   .     S
N90    C592    1.355   .     S
C589   C622    1.474   .     S
C590   C616    1.412   .     S
C591   C613    1.446   .     S
C592   C606    1.440   .     S
C596   H395    1.158   1_455 S
C599   H377    1.089   1_455 S
C601   C621    1.445   .     S
C601   C671    1.408   .     S
C601   C667    1.406   .     S
C606   C648    1.455   .     S
C606   C653    1.446   .     S
C608   C618    1.484   .     S
C608   C665    1.395   .     S
C608   C642    1.439   .     S
C616   C646    1.403   .     S
C616   C649    1.431   1_556 S
C618   C663    1.476   .     S
C618   C650    1.408   .     S
C621   C663    1.416   .     S
C622   C636    1.455   .     S
C622   C669    1.394   .     S
C634   C613    1.421   .     S
C634   C627    1.477   .     S
C636   C659    1.471   .     S
C642   C648    1.402   .     S
C646   C644    1.414   1_556 S
C653   C665    1.436   .     S
C667   C655    1.434   .     S
N142   C968    1.389   .     S
N142   C862    1.348   .     S
N143   C968    1.328   .     S
N143   C967    1.302   .     S
N144   C967    1.320   .     S
N144   C862    1.361   .     S
C862   C872    1.375   .     S
H545   C903    1.069   .     S
H546   C934    1.146   .     S
H547   C946    1.079   .     S
H548   C944    1.122   .     S
H549   C930    1.136   .     S
H550   C952    1.126   .     S
H551   C921    1.092   .     S
H552   C954    1.092   .     S
H585   C968    1.150   .     S
H586   C967    1.111   .     S
H588   C918    1.079   .     S
H594   C913    1.097   .     S
H616   C919    1.102   .     S
C872   C921    1.431   .     S
C872   C952    1.429   .     S
C879   C906    1.448   .     S
C879   C918    1.429   .     S
C879   C883    1.355   1_556 S
C880   C930    1.407   .     S
C880   C954    1.437   .     S
C880   C885    1.429   .     S
C882   C906    1.428   .     S
C882   C884    1.398   .     S
C882   C913    1.466   .     S
C884   C944    1.364   .     S
C884   C919    1.429   .     S
C885   C913    1.373   .     S
C885   C918    1.428   .     S
C903   C934    1.447   .     S
C903   C919    1.385   .     S
C906   H592    1.105   1_556 S
C921   C954    1.450   .     S
C930   C952    1.390   .     S
C934   C946    1.478   .     S
C944   C946    1.460   .     S
H671   C1051   1.115   .     S
H674   C1052   1.096   .     S
H675   C1054   1.147   .     S
H686   C1079   1.093   .     S
H687   C1081   1.044   .     S
C1007  C1051   1.422   .     S
C1007  C1013   1.481   .     S
C1007  C1045   1.434   .     S
C1013  C1052   1.411   .     S
C1051  C1009   1.409   .     S
C1052  C1054   1.435   .     S
C1079  C1081   1.429   .     S
C1079  C1077   1.447   .     S
C1081  C1019   1.418   .     S
H738   C1139   1.112   .     S
H741   C1098   1.130   .     S
H743   C1154   1.071   .     S
H750   C1172   1.119   .     S
N184   C1098   1.368   .     S
N184   C1090   1.383   .     S
N185   C1099   1.332   .     S
N185   C1098   1.394   .     S
C1099  H740    1.086   .     S
C1099  N183    1.350   .     S
C1132  C1172   1.442   .     S
C1132  C1125   1.458   1_455 S
C1132  C1180   1.495   1_455 S
C1154  C1123   1.452   1_455 S
C1154  C1125   1.437   1_455 S
C1172  C1174   1.466   .     S
C1174  C1176   1.445   .     S
C1176  C1178   1.497   1_455 S
N193   C1205   1.351   .     S
N193   C1203   1.363   .     S
N194   C1201   1.350   .     S
N194   C1203   1.359   .     S
N195   C1201   1.345   .     S
N195   C1205   1.361   .     S
N199   C1206   1.393   .     S
N199   C1331   1.386   .     S
N200   C1331   1.355   .     S
N200   C1330   1.314   .     S
N201   C1206   1.339   .     S
N201   C1330   1.362   .     S
N202   C1332   1.348   .     S
N202   C1207   1.327   .     S
N203   C1207   1.367   .     S
N203   C1208   1.343   .     S
N204   C1332   1.332   .     S
N204   C1208   1.350   .     S
C1201  C1245   1.435   .     S
C1203  C1244   1.440   .     S
C1205  C1217   1.452   .     S
C1206  C1225   1.437   .     S
C1207  C1219   1.429   .     S
C1208  C1215   1.439   .     S
H761   C1257   1.135   .     S
H762   C1277   1.101   .     S
H763   C1315   1.142   .     S
H764   C1317   1.083   .     S
H767   C1247   1.094   .     S
H768   C1291   1.110   .     S
H769   C1251   1.096   .     S
H770   C1265   1.112   .     S
H772   C1327   1.081   .     S
H774   C1261   1.076   .     S
H775   C1320   1.087   .     S
H777   C1270   1.083   .     S
H778   C1286   1.124   .     S
H779   C1298   1.098   .     S
H780   C1322   1.104   .     S
H781   C1249   1.068   .     S
H782   C1254   1.036   .     S
H789   C1292   1.169   .     S
H790   C1295   1.123   .     S
H792   C1330   1.115   .     S
H793   C1332   1.120   .     S
H794   C1311   1.067   .     S
H796   C1306   1.094   .     S
H797   C1252   1.073   .     S
H798   C1255   1.117   .     S
H799   C1325   1.098   .     S
H800   C1250   1.123   .     S
H801   C1258   1.145   .     S
H802   C1269   1.165   .     S
H803   C1275   1.100   .     S
H804   C1280   1.110   .     S
H805   C1290   1.098   .     S
H806   C1293   1.040   .     S
H807   C1297   1.146   .     S
H808   C1308   1.089   .     S
H809   C1318   1.111   .     S
H810   C1323   1.127   .     S
H811   C1328   1.088   .     S
H812   C1248   1.078   .     S
H844   C1321   1.092   .     S
H845   C1324   1.141   .     S
C1209  C1315   1.444   .     S
C1209  C1243   1.451   .     S
C1209  C1304   1.387   .     S
C1210  C1252   1.439   .     S
C1210  C1306   1.437   .     S
C1210  C1216   1.459   .     S
C1211  C1320   1.401   .     S
C1211  C1228   1.467   .     S
C1211  C1272   1.448   .     S
C1212  C1218   1.464   .     S
C1212  C1255   1.431   .     S
C1212  C1252   1.422   .     S
C1213  C1221   1.442   .     S
C1213  C1255   1.484   .     S
C1213  C1306   1.409   .     S
C1215  C1250   1.422   .     S
C1215  C1258   1.449   .     S
C1216  C1325   1.471   .     S
C1216  C1269   1.419   .     S
C1217  C1298   1.432   .     S
C1217  C1286   1.470   .     S
C1218  C1297   1.412   .     S
C1218  C1275   1.449   .     S
C1219  C1251   1.413   .     S
C1219  C1291   1.424   .     S
C1220  C1270   1.401   .     S
C1220  C1322   1.468   .     S
C1220  C1241   1.429   .     S
C1221  C1248   1.385   .     S
C1221  C1308   1.462   .     S
C1225  C1254   1.422   .     S
C1225  C1263   1.405   .     S
C1226  C1317   1.395   .     S
C1226  C1282   1.449   .     S
C1228  C1267   1.441   .     S
C1228  C1249   1.451   .     S
C1230  C1265   1.397   .     S
C1230  C1233   1.445   .     S
C1230  C1247   1.411   .     S
C1232  C1239   1.501   .     S
C1232  C1277   1.403   .     S
C1232  C1301   1.463   .     S
C1233  C1327   1.431   .     S
C1233  C1295   1.478   .     S
C1239  C1295   1.422   .     S
C1239  C1311   1.400   .     S
C1241  C1320   1.413   .     S
C1241  C1261   1.397   .     S
C1243  C1311   1.440   .     S
C1243  C1327   1.437   .     S
C1244  C1321   1.389   .     S
C1244  C1324   1.383   .     S
C1245  C1257   1.448   .     S
C1245  C1313   1.421   .     S
C1247  C1291   1.392   .     S
C1248  C1328   1.460   .     S
C1249  C1254   1.441   .     S
C1250  C1325   1.472   .     S
C1251  C1265   1.447   .     S
C1257  C1277   1.446   .     S
C1258  C1269   1.382   .     S
C1261  C1214   1.460   .     S
C1263  C1267   1.439   .     S
C1263  H783    1.109   .     S
C1267  H784    1.100   .     S
C1270  C1286   1.381   .     S
C1275  C1280   1.408   .     S
C1280  C1290   1.406   .     S
C1290  C1293   1.432   .     S
C1293  C1297   1.398   .     S
C1298  C1322   1.432   .     S
C1308  C1318   1.450   .     S
C1315  C1317   1.455   .     S
C1318  C1323   1.396   .     S
C1319  C1321   1.392   .     S
C1319  H843    1.078   .     S
C1319  C1246   1.432   .     S
C1323  C1328   1.445   .     S
C1324  C1326   1.435   .     S
C1331  H791    1.163   1_556 S
H864   C1339   1.110   .     S
H865   C1337   1.087   .     S
N206   C1339   1.387   .     S
N206   C1337   1.338   .     S
N208   C1337   1.335   .     S
N208   C1333   1.345   .     S
N209   C1333   1.345   .     S
N209   C1339   1.382   .     S
C1333  C1343   1.446   1_556 S
N214   C1368   1.308   .     S
N214   C1369   1.365   .     S
N215   C1368   1.332   .     S
N215   C1366   1.353   .     S
N216   C1369   1.335   .     S
N216   C1366   1.297   .     S
N223   C1475   1.348   .     S
N223   C1372   1.390   .     S
N224   C1475   1.329   .     S
N224   C1480   1.307   .     S
N225   C1480   1.380   .     S
N225   C1372   1.333   .     S
C1366  C1382   1.438   .     S
C1368  C1406   1.453   .     S
C1369  C1379   1.491   .     S
C1372  C1394   1.448   .     S
H868   C1470   1.124   .     S
H869   C1445   1.097   .     S
H870   C1464   1.106   .     S
H871   C1432   1.121   .     S
H872   C1455   1.146   .     S
H873   C1467   1.131   .     S
H881   C1412   1.091   .     S
H882   C1423   1.122   .     S
H883   C1437   1.103   .     S
H884   C1454   1.068   .     S
H889   C1451   1.107   .     S
H891   C1444   1.098   .     S
H898   C1419   1.139   .     S
H899   C1434   1.164   .     S
H900   C1463   1.098   .     S
H901   C1411   1.149   .     S
H902   C1417   1.101   .     S
H903   C1420   1.086   .     S
H906   C1435   1.130   .     S
H908   C1479   1.106   1_455 S
H909   C1459   1.147   .     S
H910   C1460   1.074   .     S
H911   C1468   1.076   .     S
H912   C1475   1.066   .     S
H913   C1480   1.111   .     S
H931   C1414   1.108   .     S
H934   C1415   1.136   .     S
H936   C1462   1.125   .     S
H939   C1466   1.090   .     S
C1379  C1417   1.417   .     S
C1379  C1411   1.425   .     S
C1380  C1404   1.449   .     S
C1380  C1467   1.458   .     S
C1380  C1464   1.431   .     S
C1381  C1401   1.477   .     S
C1381  C1463   1.391   .     S
C1381  C1420   1.458   .     S
C1382  C1437   1.452   .     S
C1382  C1423   1.381   .     S
C1384  C1462   1.406   .     S
C1384  C1435   1.511   .     S
C1384  C1385   1.429   .     S
C1385  C1459   1.456   .     S
C1385  C1468   1.446   .     S
C1386  C1412   1.407   .     S
C1386  C1454   1.424   .     S
C1387  C1388   1.442   .     S
C1387  C1460   1.439   .     S
C1387  C1445   1.416   .     S
C1388  C1414   1.407   .     S
C1388  C1468   1.423   .     S
C1394  C1432   1.446   .     S
C1394  C1455   1.442   .     S
C1401  C1451   1.462   .     S
C1401  C1444   1.414   .     S
C1404  C1459   1.410   .     S
C1404  C1414   1.432   .     S
C1406  C1470   1.407   .     S
C1406  C1415   1.415   .     S
C1411  C1463   1.420   .     S
C1412  C1423   1.364   .     S
C1415  C1460   1.423   .     S
C1417  C1420   1.409   .     S
C1419  C1434   1.457   .     S
C1419  C1376   1.404   1_455 S
C1432  C1464   1.410   .     S
C1434  C1377   1.462   1_455 S
C1435  C1471   1.422   .     S
C1437  C1454   1.397   .     S
C1444  C1399   1.383   1_455 S
C1445  C1470   1.443   .     S
C1451  C1398   1.405   1_455 S
C1455  C1467   1.446   .     S
C1462  C1466   1.402   .     S
C1466  C1409   1.416   .     S
N13    C15     1.424   .     S
N13    C9      1.330   .     S
N14    C8      1.344   .     S
N14    C15     1.334   .     S
N15    C8      1.389   .     S
N15    C9      1.371   .     S
C8     H39     1.096   .     S
C9     H36     1.137   .     S
H3     C35     1.041   .     S
H4     C36     1.100   .     S
H5     C45     1.072   .     S
H37    C57     1.113   .     S
C15    C23     1.461   .     S
C23    C36     1.424   .     S
C23    C35     1.445   .     S
C26    C52     1.427   .     S
C26    C45     1.441   .     S
C26    C31     1.444   .     S
C35    C52     1.415   .     S
C36    C45     1.398   .     S
C52    H2      1.157   .     S
C57    C31     1.377   .     S
C57    C33     1.431   .     S
N31    C74     1.360   .     S
N31    C220    1.351   .     S
N32    C74     1.339   .     S
N32    C224    1.377   .     S
N33    C224    1.323   .     S
N33    C220    1.333   .     S
C74    C109    1.454   .     S
H73    C174    1.144   .     S
H74    C179    1.077   .     S
H75    C185    1.109   .     S
H76    C190    1.113   .     S
H138   C220    1.092   .     S
H141   C224    1.118   .     S
C109   C185    1.440   .     S
C109   C179    1.431   .     S
C113   C190    1.404   .     S
C113   C174    1.434   .     S
C113   C90     1.434   1_556 S
C174   C179    1.498   .     S
C185   C190    1.402   .     S
N46    C264    1.347   .     S
N46    C265    1.369   .     S
N47    C262    1.379   .     S
N47    C264    1.311   .     S
N48    C262    1.318   .     S
N48    C265    1.340   .     S
C262   C304    1.413   .     S
C264   C297    1.437   .     S
C265   C276    1.455   .     S
H172   C367    1.066   .     S
H173   C394    1.098   .     S
H174   C440    1.106   .     S
H175   C395    1.050   .     S
H177   C330    1.098   .     S
H179   C349    1.118   .     S
H180   C361    1.081   .     S
H181   C371    1.101   .     S
H186   C348    1.083   .     S
H187   C355    1.158   .     S
H188   C413    1.066   .     S
H189   C337    1.057   .     S
H190   C429    1.054   .     S
H191   C384    1.135   .     S
H192   C405    1.101   .     S
H193   C437    1.083   .     S
H197   C341    1.142   .     S
H198   C347    1.114   .     S
H199   C352    1.092   .     S
H200   C358    1.119   .     S
H201   C365    1.197   .     S
H202   C369    1.112   .     S
H203   C376    1.080   .     S
H204   C380    1.062   .     S
H205   C387    1.084   .     S
H206   C392    1.119   .     S
H210   C400    1.130   .     S
C274   C303    1.407   .     S
C274   C395    1.475   .     S
C274   C440    1.441   .     S
C276   C355    1.438   .     S
C276   C413    1.411   .     S
C278   C395    1.422   .     S
C278   C359    1.417   .     S
C278   C323    1.421   .     S
C279   C337    1.429   .     S
C279   C287    1.424   .     S
C279   C348    1.426   .     S
C281   C429    1.431   .     S
C281   C293    1.433   .     S
C281   C384    1.432   .     S
C284   C405    1.456   .     S
C284   C384    1.425   .     S
C284   C301    1.480   .     S
C287   C440    1.464   .     S
C287   C359    1.429   .     S
C289   C429    1.445   .     S
C289   C405    1.465   .     S
C289   C308    1.463   .     S
C293   C341    1.442   .     S
C293   C437    1.437   .     S
C297   C367    1.409   .     S
C297   C334    1.461   .     S
C301   C369    1.396   .     S
C301   C347    1.501   .     S
C303   C330    1.430   .     S
C303   C371    1.408   .     S
C304   C387    1.451   .     S
C304   C380    1.413   .     S
C308   C392    1.421   .     S
C308   C376    1.456   .     S
C330   C339    1.424   .     S
C337   C413    1.444   .     S
C339   C349    1.423   .     S
C339   H178    1.059   1_556 S
C341   C336    1.417   .     S
C347   C352    1.392   .     S
C348   C355    1.433   .     S
C349   C361    1.455   .     S
C352   C358    1.401   .     S
C358   C365    1.439   .     S
C359   H176    1.112   .     S
C361   C371    1.439   .     S
C365   C369    1.388   .     S
C367   C394    1.420   .     S
C376   C380    1.395   .     S
C387   C392    1.392   .     S
C394   C316    1.408   .     S
C437   C328    1.389   .     S
C482   H374    1.076   .     S
H341   C531    1.123   .     S
H342   C553    1.162   .     S
H343   C579    1.098   .     S
H344   C540    1.114   .     S
H345   C542    1.090   .     S
H346   C548    1.105   .     S
H347   C555    1.100   .     S
H348   C564    1.089   .     S
H349   C570    1.111   .     S
H350   C577    1.126   .     S
H351   C582    1.104   .     S
H352   C527    1.126   .     S
H353   C530    1.099   .     S
H354   C532    1.063   .     S
C497   C531    1.401   .     S
C497   C504    1.420   .     S
C497   C553    1.451   .     S
C498   C553    1.385   .     S
C498   C579    1.487   .     S
C498   C507    1.422   .     S
C500   C531    1.391   .     S
C500   C509    1.403   .     S
C500   C579    1.414   .     S
C504   C540    1.431   .     S
C504   C564    1.445   .     S
C506   C582    1.445   .     S
C506   C577    1.385   .     S
C506   C486    1.411   1_556 S
C507   C527    1.453   .     S
C507   C570    1.443   .     S
C509   C538    1.469   .     S
C509   C530    1.472   .     S
C527   C582    1.417   .     S
C530   C532    1.378   .     S
C532   C534    1.404   .     S
C538   H357    1.115   .     S
C538   C536    1.389   .     S
C540   C542    1.457   .     S
C542   C548    1.461   .     S
C548   C555    1.430   .     S
C555   C564    1.429   .     S
C570   C577    1.408   .     S
H377   C599    1.089   1_655 S
H395   C596    1.158   1_655 S
N103   C692    1.375   .     S
N103   C677    1.356   .     S
N104   C692    1.363   .     S
N104   C676    1.346   .     S
N105   C676    1.355   .     S
N105   C677    1.368   .     S
N106   C678    1.351   .     S
N106   C685    1.364   .     S
N107   C685    1.367   .     S
N107   C686    1.331   .     S
N108   C686    1.367   .     S
N108   C678    1.323   .     S
C676   H443    1.169   .     S
C677   H440    1.114   .     S
C678   H459    1.114   .     S
H447   C725    1.108   .     S
H448   C730    1.136   .     S
H449   C738    1.137   .     S
H464   C740    1.154   .     S
H465   C746    1.079   .     S
H466   C756    1.120   .     S
H467   C763    1.086   .     S
H486   C759    1.057   .     S
C685   C710    1.437   .     S
C686   C704    1.425   .     S
C692   C716    1.418   .     S
C700   C706    1.444   .     S
C704   C756    1.430   .     S
C704   C746    1.413   .     S
C706   C740    1.452   .     S
C706   C763    1.470   .     S
C710   C738    1.392   .     S
C710   C730    1.399   .     S
C716   C749    1.436   .     S
C716   C759    1.416   .     S
C725   C730    1.369   .     S
C725   C714    1.363   .     S
C738   C742    1.431   .     S
C740   C746    1.432   .     S
C756   C763    1.405   .     S
H690   C1162   1.075   .     S
H691   C1143   1.120   .     S
H696   C1182   1.127   .     S
H697   C1150   1.087   .     S
H698   C1199   1.116   .     S
H700   C1194   1.150   .     S
H705   C1101   1.132   .     S
H706   C1100   1.137   .     S
H707   C1189   1.066   .     S
H718   C1170   1.125   .     S
H719   C1196   1.116   .     S
H720   C1164   1.078   .     S
H722   C1094   1.050   .     S
H742   C1160   1.135   .     S
H744   C1157   1.171   .     S
H753   C1178   1.105   .     S
H754   C1180   1.062   .     S
H755   C1183   1.104   .     S
H756   C1185   1.127   .     S
H757   C1188   1.099   .     S
H758   C1190   1.118   .     S
N173   C1085   1.396   .     S
N173   C1094   1.347   .     S
N174   C1086   1.359   .     S
N174   C1085   1.364   .     S
N175   C1086   1.347   .     S
N175   C1094   1.348   .     S
N186   C1100   1.344   .     S
N186   C1101   1.360   .     S
N187   C1100   1.351   .     S
N187   C1092   1.334   .     S
N188   C1092   1.381   .     S
N188   C1101   1.361   .     S
C1085  C1138   1.423   .     S
C1086  C1134   1.401   .     S
C1092  C1136   1.427   .     S
C1110  C1143   1.377   .     S
C1110  C1112   1.431   .     S
C1110  C1156   1.431   .     S
C1116  C1170   1.391   .     S
C1116  C1151   1.392   .     S
C1116  C1133   1.434   .     S
C1119  C1121   1.453   .     S
C1119  C1182   1.448   .     S
C1119  C1192   1.415   .     S
C1121  C1162   1.415   .     S
C1121  C1143   1.428   .     S
C1123  C1160   1.438   .     S
C1123  C1154   1.452   1_655 S
C1123  C1128   1.459   .     S
C1125  C1157   1.438   .     S
C1125  C1154   1.437   1_655 S
C1125  C1132   1.458   1_655 S
C1126  C1157   1.470   .     S
C1126  C1160   1.433   .     S
C1126  C1135   1.462   .     S
C1134  C1185   1.470   .     S
C1134  C1188   1.434   .     S
C1135  C1183   1.412   .     S
C1135  C1190   1.437   .     S
C1136  C1150   1.430   .     S
C1136  C1199   1.416   .     S
C1138  C1164   1.423   .     S
C1138  C1196   1.399   .     S
C1150  C1182   1.370   .     S
C1151  C1164   1.420   .     S
C1151  H721    1.169   .     S
C1162  C1117   1.464   .     S
C1170  C1196   1.400   .     S
C1178  C1180   1.420   .     S
C1178  C1176   1.497   1_655 S
C1180  C1132   1.495   1_655 S
C1183  C1185   1.412   .     S
C1188  C1190   1.399   .     S
C1192  C1199   1.383   .     S
C1192  H699    1.097   .     S
H830   C1299   1.123   .     S
H831   C1294   1.100   .     S
H832   C1296   1.105   .     S
H833   C1300   1.105   .     S
H834   C1302   1.069   .     S
H835   C1303   1.060   .     S
H836   C1305   1.097   .     S
H837   C1307   1.088   .     S
H838   C1309   1.080   .     S
H839   C1310   1.124   .     S
H840   C1312   1.085   .     S
H841   C1314   1.100   .     S
H842   C1316   1.081   .     S
H846   C1326   1.131   .     S
C1235  C1240   1.404   .     S
C1235  C1299   1.459   .     S
C1235  C1294   1.395   .     S
C1236  C1294   1.461   .     S
C1236  C1296   1.492   .     S
C1236  C1242   1.447   .     S
C1238  C1246   1.423   .     S
C1238  C1299   1.421   .     S
C1238  C1296   1.474   .     S
C1240  C1300   1.392   .     S
C1240  C1307   1.393   .     S
C1242  C1316   1.436   .     S
C1242  C1309   1.442   .     S
C1246  C1326   1.448   .     S
C1300  C1302   1.445   .     S
C1302  C1303   1.386   .     S
C1303  C1305   1.470   .     S
C1305  C1307   1.445   .     S
C1309  C1310   1.424   .     S
C1310  C1312   1.434   .     S
C1312  C1314   1.441   .     S
C1314  C1316   1.410   .     S
N220   C1479   1.357   .     S
N220   C1370   1.334   .     S
N221   C1371   1.377   .     S
N221   C1370   1.350   .     S
N222   C1371   1.300   .     S
N222   C1479   1.320   .     S
N226   C1373   1.346   .     S
N226   C1473   1.347   .     S
N227   C1478   1.338   .     S
N227   C1473   1.377   .     S
N228   C1373   1.332   .     S
N228   C1478   1.320   .     S
C1370  C1402   1.393   .     S
C1371  C1376   1.423   .     S
C1373  C1405   1.427   .     S
H890   C1439   1.131   .     S
H892   C1453   1.069   .     S
H893   C1456   1.085   .     S
H894   C1461   1.166   .     S
H895   C1465   1.058   .     S
H896   C1469   1.109   .     S
H897   C1449   1.077   .     S
H914   C1424   1.111   .     S
H915   C1418   1.072   .     S
H916   C1421   1.103   .     S
H920   C1431   1.080   1_556 S
H921   C1433   1.034   .     S
H922   C1436   1.098   .     S
H923   C1438   1.096   .     S
H924   C1440   1.144   .     S
H925   C1442   1.108   .     S
H926   C1443   1.102   .     S
H927   C1446   1.145   .     S
H928   C1448   1.114   .     S
H929   C1450   1.097   .     S
H930   C1452   1.076   .     S
H932   C1473   1.154   .     S
H933   C1478   1.093   .     S
C1376  C1449   1.455   .     S
C1376  C1419   1.404   1_655 S
C1377  C1399   1.464   .     S
C1377  C1469   1.458   .     S
C1377  C1434   1.462   1_655 S
C1390  C1418   1.410   .     S
C1390  C1424   1.424   .     S
C1390  C1397   1.434   .     S
C1392  C1421   1.429   .     S
C1392  C1400   1.410   .     S
C1392  C1418   1.429   .     S
C1393  C1421   1.411   .     S
C1393  C1403   1.404   .     S
C1393  C1424   1.413   .     S
C1397  C1433   1.441   .     S
C1397  C1425   1.413   1_556 S
C1398  C1408   1.410   .     S
C1398  C1439   1.468   .     S
C1398  C1451   1.405   1_655 S
C1399  C1439   1.421   .     S
C1399  C1444   1.383   1_655 S
C1400  C1436   1.412   .     S
C1400  C1443   1.423   .     S
C1402  C1450   1.423   .     S
C1402  C1448   1.467   .     S
C1403  C1446   1.429   .     S
C1403  C1452   1.472   .     S
C1405  C1461   1.427   .     S
C1405  C1456   1.442   .     S
C1408  C1465   1.440   .     S
C1408  C1453   1.461   .     S
C1433  C1431   1.438   1_556 S
C1436  C1438   1.398   .     S
C1438  C1440   1.487   .     S
C1440  C1442   1.467   .     S
C1442  C1443   1.459   .     S
C1446  C1448   1.444   .     S
C1449  C1469   1.437   .     S
C1450  C1452   1.441   .     S
C1453  C1456   1.426   .     S
C1461  C1465   1.432   .     S
C1479  H908    1.106   1_655 S
N10    C6      1.363   .     S
N10    C7      1.334   .     S
N11    C6      1.352   .     S
N11    C14     1.329   .     S
N12    C14     1.370   .     S
N12    C7      1.323   .     S
C6     H34     1.099   .     S
C7     H33     1.099   .     S
H10    C44     1.078   .     S
H11    C56     1.078   .     S
H12    C39     1.141   .     S
H13    C47     1.054   .     S
H15    C59     1.110   .     S
H16    C61     1.107   .     S
H17    C41     1.053   .     S
H18    C53     1.147   .     S
H19    C50     1.109   .     S
H20    C38     1.183   .     S
H21    C54     1.122   .     S
H23    C43     1.099   .     S
H24    C46     1.093   .     S
C14    C16     1.444   .     S
C16    C50     1.426   .     S
C16    C53     1.411   .     S
C17    C25     1.441   .     S
C17    C38     1.419   .     S
C17    C41     1.426   .     S
C21    C24     1.406   .     S
C21    C44     1.397   .     S
C21    C56     1.419   .     S
C22    C54     1.459   .     S
C22    C46     1.456   .     S
C22    C27     1.449   .     S
C24    C47     1.390   .     S
C24    C61     1.421   .     S
C25    C56     1.425   .     S
C25    C39     1.430   .     S
C27    C44     1.389   .     S
C27    C39     1.444   .     S
C32    C59     1.487   .     S
C32    C51     1.403   .     S
C32    C10     1.406   1_455 S
C38    C50     1.414   .     S
C41    C53     1.458   .     S
C43    C46     1.462   .     S
C47    C51     1.424   .     S
C51    H14     1.075   1_455 S
C59    C61     1.438   .     S
N25    C223    1.352   .     S
N25    C221    1.384   .     S
N26    C72     1.368   .     S
N26    C223    1.372   .     S
N27    C72     1.327   .     S
N27    C221    1.352   .     S
C72    C99     1.451   .     S
H101   C214    1.130   .     S
H111   C146    1.116   .     S
H112   C148    1.122   .     S
H113   C151    1.076   .     S
H114   C153    1.101   .     S
H132   C221    1.103   .     S
H134   C223    1.065   .     S
C92    C214    1.403   .     S
C92    C100    1.426   .     S
C99    C151    1.422   .     S
C99    C148    1.406   .     S
C100   C146    1.472   .     S
C100   C153    1.428   .     S
C146   C148    1.439   .     S
C151   C153    1.474   .     S
N43    C236    1.362   .     S
N43    C234    1.388   .     S
N44    C236    1.362   .     S
N44    C233    1.344   .     S
N45    C234    1.260   .     S
N45    C233    1.359   .     S
C233   H163    1.074   .     S
C234   H161    1.131   .     S
H145   C257    1.125   .     S
H146   C249    1.114   .     S
H147   C261    1.110   .     S
H148   C247    1.123   .     S
C236   C246    1.430   .     S
C240   C247    1.434   .     S
C240   C257    1.426   .     S
C246   C249    1.429   .     S
C246   C261    1.432   .     S
C247   C261    1.455   .     S
C249   C257    1.402   .     S
N55    C271    1.375   .     S
N55    C269    1.389   .     S
N56    C270    1.353   .     S
N56    C269    1.376   .     S
N57    C270    1.307   .     S
N57    C271    1.333   .     S
C269   C312    1.388   1_455 S
C270   C319    1.411   .     S
C271   C306    1.438   .     S
H167   C343    1.049   1_455 S
H248   C363    1.125   .     S
H249   C357    1.137   .     S
H250   C360    1.108   .     S
H256   C375    1.096   .     S
H257   C377    1.134   .     S
H258   C379    1.091   .     S
H259   C381    1.094   .     S
H260   C383    1.108   .     S
H261   C386    1.080   .     S
H262   C388    1.110   .     S
H263   C391    1.062   .     S
H264   C393    1.120   .     S
H268   C409    1.101   .     S
H269   C404    1.124   .     S
H270   C406    1.124   .     S
H271   C410    1.138   .     S
H272   C412    1.020   .     S
H273   C414    1.094   .     S
H274   C416    1.089   .     S
H275   C417    1.137   .     S
H278   C425    1.133   .     S
H279   C427    1.098   .     S
H284   C438    1.063   .     S
C298   C363    1.435   .     S
C298   C357    1.417   .     S
C298   C302    1.456   1_556 S
C299   C357    1.390   .     S
C299   C305    1.461   .     S
C299   C360    1.440   .     S
C300   C363    1.486   .     S
C300   C307    1.416   .     S
C300   C360    1.413   .     S
C305   C383    1.386   .     S
C305   C375    1.423   .     S
C306   C391    1.441   .     S
C306   C388    1.437   .     S
C307   C386    1.435   .     S
C307   C393    1.411   .     S
C310   C404    1.407   .     S
C310   C317    1.469   .     S
C310   C409    1.429   .     S
C311   C406    1.396   .     S
C311   C404    1.410   .     S
C311   C320    1.487   .     S
C313   C409    1.384   .     S
C313   C406    1.443   .     S
C313   C325    1.406   1_455 S
C317   C410    1.414   .     S
C317   C417    1.437   .     S
C319   C425    1.433   .     S
C319   C422    1.438   .     S
C320   C427    1.427   .     S
C320   C420    1.409   .     S
C375   C377    1.402   .     S
C377   C379    1.415   .     S
C379   C381    1.433   .     S
C381   C383    1.443   .     S
C386   C388    1.407   .     S
C391   C393    1.361   .     S
C410   C412    1.455   .     S
C412   C414    1.408   .     S
C414   C416    1.439   .     S
C416   C417    1.398   .     S
C420   C422    1.429   .     S
C420   H276    1.069   1_455 S
C422   H277    1.106   1_455 S
C425   C427    1.412   .     S
C438   C325    1.416   1_455 S
C438   C436    1.416   1_455 S
H379   C625    1.068   .     S
H380   C630    1.134   .     S
H381   C657    1.090   .     S
H382   C669    1.124   .     S
H385   C638    1.070   .     S
H386   C668    1.097   .     S
H387   C643    1.098   .     S
H388   C664    1.085   .     S
H389   C627    1.090   .     S
H391   C640    1.109   .     S
H392   C645    1.106   .     S
H393   C595    1.106   .     S
H394   C597    1.051   .     S
H400   C655    1.125   .     S
H401   C661    1.127   .     S
N91    C595    1.341   .     S
N91    C594    1.321   .     S
N92    C595    1.339   .     S
N92    C597    1.369   .     S
N93    C597    1.357   .     S
N93    C594    1.319   .     S
C594   C604    1.460   .     S
C602   C625    1.429   .     S
C602   C624    1.440   .     S
C602   C647    1.480   .     S
C604   C643    1.384   .     S
C604   C668    1.421   .     S
C607   C609    1.406   .     S
C607   C630    1.445   .     S
C607   C625    1.430   .     S
C609   C638    1.450   .     S
C609   C664    1.465   .     S
C613   C640    1.408   .     S
C614   C647    1.452   .     S
C614   C630    1.428   .     S
C614   C617    1.477   .     S
C617   C627    1.456   .     S
C617   C645    1.413   .     S
C624   C657    1.410   .     S
C624   C659    1.420   .     S
C638   C668    1.376   .     S
C640   C645    1.446   .     S
C643   C664    1.389   .     S
C655   C661    1.471   .     S
C657   C669    1.424   .     S
N100   C687    1.370   .     S
N100   C675    1.324   .     S
N101   C674    1.340   .     S
N101   C687    1.354   .     S
N102   C674    1.371   .     S
N102   C675    1.387   .     S
C674   H438    1.047   .     S
C675   H436    1.136   .     S
H437   C733    1.049   .     S
H442   C751    1.079   .     S
H484   C683    1.114   1_455 S
H485   C758    1.098   .     S
C687   C720    1.408   .     S
C720   C758    1.382   .     S
C720   C733    1.430   .     S
C733   C751    1.445   .     S
C751   C696    1.409   .     S
C758   C753    1.416   .     S
H644   C1049   1.098   1_556 S
H645   C1066   1.118   1_556 S
H673   C1048   1.073   .     S
H681   C1068   1.086   .     S
H682   C1070   1.052   .     S
H683   C1073   1.106   .     S
H684   C1075   1.089   .     S
H685   C1077   1.082   .     S
C1008  C1048   1.406   .     S
C1008  C1016   1.427   .     S
C1008  C1045   1.411   .     S
C1009  C1048   1.407   .     S
C1009  C1019   1.437   .     S
C1016  C1070   1.425   .     S
C1019  C1073   1.436   .     S
C1068  C1070   1.439   .     S
C1073  C1075   1.495   .     S
C1075  C1077   1.403   .     S
H693   C1158   1.043   .     S
H694   C1184   1.080   .     S
H704   C1097   1.063   .     S
H725   C1171   1.122   .     S
H726   C1166   1.070   .     S
H727   C1145   1.130   .     S
H728   C1186   1.101   .     S
H729   C1140   1.146   .     S
H730   C1144   1.080   .     S
H731   C1146   1.103   .     S
H732   C1155   1.065   .     S
H733   C1159   1.095   .     S
H735   C1179   1.136   .     S
H736   C1187   1.109   .     S
H737   C1193   1.096   .     S
H739   C1141   1.107   .     S
H745   C1161   1.084   .     S
H746   C1163   1.143   .     S
H747   C1165   1.091   1_455 S
N180   C1088   1.354   .     S
N180   C1097   1.348   .     S
N181   C1089   1.392   .     S
N181   C1088   1.375   .     S
N182   C1097   1.312   .     S
N182   C1089   1.336   .     S
N183   C1090   1.372   .     S
C1088  C1130   1.395   .     S
C1089  C1109   1.454   .     S
C1090  C1115   1.445   .     S
C1105  C1171   1.446   .     S
C1105  C1111   1.425   .     S
C1105  C1166   1.439   .     S
C1106  C1145   1.396   .     S
C1106  C1166   1.436   .     S
C1106  C1114   1.442   .     S
C1107  C1145   1.426   .     S
C1107  C1118   1.434   .     S
C1107  C1171   1.450   .     S
C1109  C1144   1.423   .     S
C1109  C1140   1.440   .     S
C1111  C1186   1.452   .     S
C1111  C1146   1.454   .     S
C1113  C1173   1.390   .     S
C1113  C1159   1.401   .     S
C1113  C1093   1.419   1_556 S
C1114  C1155   1.444   .     S
C1114  C1179   1.444   .     S
C1115  C1193   1.469   .     S
C1115  C1139   1.441   .     S
C1118  C1187   1.487   .     S
C1118  C1141   1.445   .     S
C1130  C1158   1.459   .     S
C1130  C1184   1.418   .     S
C1139  C1141   1.475   .     S
C1140  C1186   1.410   .     S
C1144  C1146   1.451   .     S
C1155  C1159   1.397   .     S
C1158  C1177   1.490   .     S
C1161  C1163   1.479   .     S
C1161  C1128   1.441   1_455 S
C1163  C1165   1.440   1_455 S
C1173  C1179   1.477   .     S
C1173  H734    1.129   1_556 S
C1184  C1168   1.419   .     S
C1187  C1193   1.423   .     S
H765   C1282   1.110   .     S
H766   C1304   1.115   .     S
H773   C1301   1.065   .     S
H776   C1272   1.084   .     S
H785   C1274   1.053   .     S
H786   C1279   1.143   .     S
H787   C1284   1.094   .     S
H795   C1313   1.073   .     S
C1214  C1237   1.418   .     S
C1214  C1272   1.429   .     S
C1237  C1274   1.416   .     S
C1237  C1292   1.383   .     S
C1274  C1279   1.424   .     S
C1279  C1284   1.440   .     S
C1282  C1304   1.473   .     S
C1284  C1288   1.415   .     S
C1288  C1292   1.418   .     S
C1288  H788    1.134   1_556 S
C1301  C1313   1.405   .     S
N217   C1367   1.375   .     S
N217   C1476   1.329   .     S
N218   C1472   1.349   .     S
N218   C1367   1.365   .     S
N219   C1476   1.345   .     S
N219   C1472   1.304   .     S
C1367  C1409   1.439   .     S
H904   C1476   1.106   .     S
H905   C1471   1.104   .     S
H907   C1472   1.158   .     S
C1409  C1471   1.385   .     S
N1     C1      1.342   .     S
N1     C12     1.339   .     S
N2     C10     1.328   .     S
N2     C1      1.318   .     S
N3     C12     1.345   .     S
N3     C10     1.320   .     S
C1     H27     1.089   .     S
H1     C63     1.112   .     S
H14    C51     1.075   1_655 S
H28    C34     1.103   .     S
H31    C62     1.102   .     S
H32    C42     1.070   .     S
H35    C49     1.112   .     S
H38    C55     1.091   .     S
C10    C32     1.406   1_655 S
C12    C30     1.425   .     S
C18    C29     1.470   .     S
C18    C34     1.435   .     S
C18    C63     1.443   .     S
C19    C33     1.404   .     S
C29    C49     1.409   .     S
C29    C62     1.464   .     S
C30    C42     1.394   .     S
C30    C55     1.405   .     S
C31    C49     1.446   .     S
C33    C62     1.381   .     S
C34    C42     1.425   .     S
C55    C63     1.454   .     S
H69    C149    1.095   1_556 S
H70    C154    1.038   1_556 S
H137   C222    1.020   1_556 S
H166   C401    1.080   .     S
H168   C390    1.122   .     S
H169   C378    1.077   .     S
H170   C431    1.112   .     S
H171   C334    1.090   .     S
H185   C428    1.170   .     S
H194   C328    1.082   .     S
H195   C332    1.071   .     S
H196   C336    1.103   .     S
H265   C353    1.103   .     S
H276   C420    1.069   1_655 S
H277   C422    1.106   1_655 S
H280   C430    1.081   .     S
H281   C432    1.141   .     S
H282   C434    1.180   .     S
H283   C436    1.105   .     S
C295   C353    1.450   .     S
C295   C321    1.484   .     S
C295   C426    1.448   .     S
C309   C316    1.446   .     S
C309   C353    1.459   .     S
C309   C400    1.440   .     S
C312   C343    1.459   .     S
C312   C390    1.437   .     S
C312   C269    1.388   1_655 S
C316   C431    1.466   .     S
C321   C378    1.438   .     S
C321   C401    1.428   .     S
C323   C428    1.461   .     S
C323   C389    1.419   1_556 S
C325   C430    1.418   .     S
C325   C313    1.406   1_655 S
C325   C438    1.416   1_655 S
C328   C332    1.397   .     S
C332   C336    1.406   .     S
C334   C431    1.451   .     S
C343   C401    1.463   .     S
C343   H167    1.049   1_655 S
C378   C390    1.427   .     S
C400   C318    1.451   1_556 S
C426   C318    1.459   1_556 S
C426   H246    1.070   1_556 S
C428   C415    1.443   1_556 S
C430   C432    1.398   .     S
C432   C434    1.415   .     S
C434   C436    1.441   .     S
C436   C438    1.416   1_655 S
H355   C534    1.111   .     S
H356   C536    1.162   .     S
C534   C536    1.405   .     S
N97    C673    1.360   .     S
N97    C691    1.351   .     S
N98    C673    1.373   .     S
N98    C688    1.357   .     S
N99    C688    1.361   .     S
N99    C691    1.349   .     S
N115   C683    1.347   .     S
N115   C693    1.364   .     S
N116   C684    1.333   .     S
N116   C683    1.357   .     S
N117   C693    1.345   .     S
N117   C684    1.338   .     S
C673   H439    1.081   .     S
C683   H484    1.114   1_655 S
C684   H487    1.054   .     S
H431   C744    1.094   .     S
H432   C755    1.097   .     S
H433   C741    1.062   .     S
H434   C745    1.129   .     S
H435   C757    1.118   .     S
H441   C750    1.102   .     S
H444   C723    1.081   .     S
H445   C721    1.072   .     S
H446   C748    1.131   .     S
H450   C742    1.051   .     S
H451   C747    1.100   .     S
H452   C752    1.112   .     S
H453   C760    1.095   .     S
H454   C762    1.140   .     S
H455   C754    1.107   .     S
H456   C728    1.107   .     S
H457   C761    1.094   .     S
H458   C765    1.122   .     S
H460   C726    1.088   .     S
H477   C743    1.156   .     S
H478   C735    1.135   .     S
H480   C749    1.132   .     S
H483   C753    1.063   .     S
C688   C712    1.370   .     S
C691   C718    1.445   .     S
C693   C717    1.440   .     S
C694   C696    1.406   .     S
C694   C750    1.460   .     S
C694   C726    1.448   .     S
C695   C765    1.419   .     S
C695   C754    1.441   .     S
C695   C705    1.428   .     S
C696   C753    1.392   .     S
C697   C762    1.459   .     S
C697   C703    1.498   .     S
C697   C747    1.412   .     S
C698   C726    1.422   .     S
C698   C709    1.429   .     S
C698   C743    1.448   .     S
C699   C714    1.405   .     S
C699   C721    1.438   .     S
C699   C723    1.401   .     S
C703   C748    1.444   .     S
C703   C721    1.446   .     S
C705   C748    1.422   .     S
C705   C723    1.377   .     S
C709   C735    1.390   .     S
C709   C744    1.433   .     S
C712   C741    1.445   .     S
C712   C745    1.400   .     S
C714   C742    1.475   .     S
C715   C743    1.472   .     S
C715   C750    1.452   .     S
C715   C719    1.453   .     S
C717   C752    1.422   .     S
C717   C760    1.451   .     S
C718   C728    1.413   .     S
C718   C761    1.436   .     S
C719   C757    1.406   .     S
C719   C755    1.410   .     S
C728   C754    1.477   .     S
C735   C749    1.423   .     S
C741   C755    1.407   .     S
C744   C759    1.417   .     S
C745   C757    1.378   .     S
C747   C752    1.444   .     S
C760   C762    1.410   .     S
C761   C765    1.457   .     S
H688   C1103   1.082   .     S
H689   C1156   1.132   .     S
H692   C1177   1.101   .     S
H695   C1168   1.045   .     S
H701   C1197   1.120   .     S
H702   C1142   1.081   .     S
H703   C1149   1.094   .     S
H708   C1175   1.086   .     S
H709   C1181   1.179   .     S
H710   C1191   1.095   .     S
H711   C1198   1.137   .     S
H712   C1200   1.105   .     S
H713   C1148   1.088   .     S
H714   C1153   1.103   .     S
H715   C1195   1.096   .     S
H716   C1147   1.084   .     S
H717   C1152   1.116   .     S
H723   C1096   1.149   .     S
H724   C1095   1.097   .     S
H748   C1167   1.087   .     S
H749   C1169   1.106   .     S
N172   C1103   1.353   .     S
N172   C1084   1.339   .     S
N176   C1096   1.297   .     S
N176   C1087   1.343   .     S
N177   C1087   1.398   .     S
N177   C1095   1.316   .     S
N178   C1096   1.362   .     S
N178   C1095   1.382   .     S
N179   C1084   1.326   .     S
N179   C1091   1.364   .     S
N189   C1103   1.326   .     S
N189   C1091   1.337   .     S
C1084  C1122   1.426   .     S
C1087  C1120   1.500   .     S
C1091  C1108   1.417   .     S
C1108  C1197   1.442   .     S
C1108  C1142   1.425   .     S
C1112  C1149   1.446   .     S
C1112  C1194   1.453   .     S
C1117  C1124   1.415   .     S
C1117  C1156   1.477   .     S
C1120  C1195   1.436   .     S
C1120  C1147   1.445   .     S
C1122  C1198   1.415   .     S
C1122  C1200   1.475   .     S
C1124  C1177   1.401   .     S
C1124  C1168   1.434   .     S
C1127  C1153   1.417   .     S
C1127  C1152   1.455   .     S
C1127  C1131   1.491   .     S
C1128  C1169   1.429   .     S
C1128  C1161   1.441   1_655 S
C1129  C1175   1.422   .     S
C1129  C1137   1.420   .     S
C1129  C1189   1.403   .     S
C1131  C1181   1.466   .     S
C1131  C1175   1.439   .     S
C1133  C1189   1.438   .     S
C1133  C1181   1.385   .     S
C1137  C1191   1.396   .     S
C1137  C1148   1.443   .     S
C1142  C1149   1.405   .     S
C1147  C1152   1.436   .     S
C1148  C1200   1.423   .     S
C1153  C1195   1.452   .     S
C1165  C1167   1.442   .     S
C1165  H747    1.091   1_655 S
C1165  C1163   1.440   1_655 S
C1167  C1169   1.457   .     S
C1191  C1198   1.458   .     S
C1194  C1197   1.462   .     S
