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

data_3D\Atomistic\(3)
_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
N4     N     0.00359   0.04899   0.05073   0.00000  Uiso   1.00
N25    N     0.00698   0.35998   0.08091   0.00000  Uiso   1.00
N27    N     0.01495   0.40440   0.09739   0.00000  Uiso   1.00
H46    H     0.01805   0.08039   0.07517   0.00000  Uiso   1.00
H56    H     0.03742   0.37165   0.10816   0.00000  Uiso   1.00
C125   C     0.00052   0.06826   0.06935   0.00000  Uiso   1.00
C128   C     0.02047   0.37873   0.09578   0.00000  Uiso   1.00
N40    N     0.20403   0.28406   0.17593   0.00000  Uiso   1.00
N41    N     0.18515   0.24110   0.18400   0.00000  Uiso   1.00
N42    N     0.20086   0.25273   0.14200   0.00000  Uiso   1.00
N43    N     0.28189   0.37288   0.33274   0.00000  Uiso   1.00
N44    N     0.25287   0.38072   0.37054   0.00000  Uiso   1.00
N45    N     0.29393   0.40575   0.36444   0.00000  Uiso   1.00
N46    N     0.10494   0.25005   0.39312   0.00000  Uiso   1.00
N47    N     0.06289   0.23025   0.39649   0.00000  Uiso   1.00
N48    N     0.07673   0.24719   0.35524   0.00000  Uiso   1.00
N61    N     0.13912   0.45472   0.05847   0.00000  Uiso   1.00
N62    N     0.10297   0.46212   0.02881   0.00000  Uiso   1.00
N63    N     0.12249   0.41981   0.03121   0.00000  Uiso   1.00
C142   C     0.25859   0.36857   0.34715   0.00000  Uiso   1.00
C143   C     0.27263   0.39893   0.37862   0.00000  Uiso   1.00
C144   C     0.19342   0.26565   0.19224   0.00000  Uiso   1.00
C145   C     0.20746   0.27767   0.15089   0.00000  Uiso   1.00
C146   C     0.10003   0.25496   0.36616   0.00000  Uiso   1.00
C153   C     0.14079   0.43031   0.04860   0.00000  Uiso   1.00
C154   C     0.18949   0.23495   0.15868   0.00000  Uiso   1.00
C155   C     0.29860   0.39212   0.34171   0.00000  Uiso   1.00
C156   C     0.08610   0.23851   0.40782   0.00000  Uiso   1.00
C157   C     0.05974   0.23316   0.37007   0.00000  Uiso   1.00
C164   C     0.11959   0.46996   0.04863   0.00000  Uiso   1.00
C165   C     0.10537   0.43729   0.02026   0.00000  Uiso   1.00
H95    H     0.31322   0.42999   0.49950   0.00000  Uiso   1.00
H96    H     0.29876   0.45419   0.44706   0.00000  Uiso   1.00
H97    H     0.29976   0.44006   0.40157   0.00000  Uiso   1.00
H98    H     0.23046   0.38498   0.41448   0.00000  Uiso   1.00
H99    H     0.22705   0.40465   0.45935   0.00000  Uiso   1.00
H103   H     0.27440   0.38193   0.49857   0.00000  Uiso   1.00
H104   H     0.31563   0.39751   0.32774   0.00000  Uiso   1.00
H105   H     0.08778   0.23988   0.42887   0.00000  Uiso   1.00
H106   H     0.15705   0.25043   0.27702   0.00000  Uiso   1.00
H107   H     0.04159   0.22803   0.35898   0.00000  Uiso   1.00
H108   H     0.18111   0.29383   0.35658   0.00000  Uiso   1.00
H109   H     0.20089   0.32705   0.25914   0.00000  Uiso   1.00
H110   H     0.14726   0.27291   0.38385   0.00000  Uiso   1.00
H111   H     0.20546   0.31364   0.21292   0.00000  Uiso   1.00
H125   H     0.26795   0.33281   0.30671   0.00000  Uiso   1.00
H127   H     0.09612   0.26544   0.31251   0.00000  Uiso   1.00
H128   H     0.18327   0.21592   0.14893   0.00000  Uiso   1.00
H142   H     0.22146   0.40908   0.09417   0.00000  Uiso   1.00
H143   H     0.18220   0.44119   0.08637   0.00000  Uiso   1.00
H144   H     0.14342   0.37953   0.03675   0.00000  Uiso   1.00
H145   H     0.18361   0.35012   0.04682   0.00000  Uiso   1.00
H146   H     0.22517   0.36670   0.13133   0.00000  Uiso   1.00
H147   H     0.21462   0.32942   0.16199   0.00000  Uiso   1.00
H148   H     0.21841   0.27290   0.09903   0.00000  Uiso   1.00
H149   H     0.22448   0.30834   0.06514   0.00000  Uiso   1.00
H150   H     0.26980   0.39102   0.09439   0.00000  Uiso   1.00
H151   H     0.31905   0.39696   0.07492   0.00000  Uiso   1.00
H152   H     0.32964   0.37866   0.03053   0.00000  Uiso   1.00
H153   H     0.29669   0.34990   0.00753   0.00000  Uiso   1.00
H154   H     0.24842   0.34247   0.02453   0.00000  Uiso   1.00
H157   H     0.12809   0.28586   0.28299   0.00000  Uiso   1.00
H158   H     0.23191   0.30771   0.28364   0.00000  Uiso   1.00
H160   H     0.16679   0.23736   0.23346   0.00000  Uiso   1.00
H161   H     0.17271   0.33572   0.34453   0.00000  Uiso   1.00
H163   H     0.20762   0.36404   0.36341   0.00000  Uiso   1.00
H164   H     0.11694   0.49166   0.05464   0.00000  Uiso   1.00
H165   H     0.24494   0.48475   0.49857   0.00000  Uiso   1.00
H166   H     0.08983   0.42934   0.00636   0.00000  Uiso   1.00
N65    N     0.17878   0.30046   0.30049   0.00000  Uiso   1.00
C167   C     0.11459   0.27220   0.32165   0.00000  Uiso   1.00
C168   C     0.16298   0.28860   0.34599   0.00000  Uiso   1.00
C169   C     0.19236   0.30782   0.25335   0.00000  Uiso   1.00
C171   C     0.24264   0.41221   0.44571   0.00000  Uiso   1.00
C175   C     0.14330   0.27691   0.36218   0.00000  Uiso   1.00
C177   C     0.19493   0.29939   0.22625   0.00000  Uiso   1.00
C192   C     0.20448   0.40275   0.08153   0.00000  Uiso   1.00
C193   C     0.28332   0.44046   0.43992   0.00000  Uiso   1.00
C194   C     0.18196   0.41986   0.07816   0.00000  Uiso   1.00
C196   C     0.15966   0.38538   0.05046   0.00000  Uiso   1.00
C197   C     0.18294   0.36991   0.05549   0.00000  Uiso   1.00
C198   C     0.22332   0.34646   0.12229   0.00000  Uiso   1.00
C200   C     0.21850   0.32498   0.14107   0.00000  Uiso   1.00
C202   C     0.22065   0.29346   0.10522   0.00000  Uiso   1.00
C204   C     0.22394   0.31431   0.08601   0.00000  Uiso   1.00
C206   C     0.27676   0.38145   0.07591   0.00000  Uiso   1.00
C207   C     0.30364   0.38582   0.06420   0.00000  Uiso   1.00
C209   C     0.30928   0.37346   0.03948   0.00000  Uiso   1.00
C211   C     0.28910   0.35860   0.02600   0.00000  Uiso   1.00
C213   C     0.26193   0.35662   0.03495   0.00000  Uiso   1.00
C214   C     0.28447   0.43158   0.41353   0.00000  Uiso   1.00
C215   C     0.13376   0.28414   0.30534   0.00000  Uiso   1.00
C216   C     0.22537   0.32033   0.30005   0.00000  Uiso   1.00
C218   C     0.17348   0.25716   0.23814   0.00000  Uiso   1.00
C220   C     0.19256   0.33581   0.33429   0.00000  Uiso   1.00
C223   C     0.21303   0.35080   0.34671   0.00000  Uiso   1.00
C226   C     0.24410   0.40305   0.41877   0.00000  Uiso   1.00
C227   C     0.24586   0.33655   0.31144   0.00000  Uiso   1.00
C228   C     0.16814   0.26593   0.26475   0.00000  Uiso   1.00
C230   C     0.11847   0.26882   0.34992   0.00000  Uiso   1.00
C232   C     0.21524   0.29821   0.13185   0.00000  Uiso   1.00
C235   C     0.18763   0.27354   0.21849   0.00000  Uiso   1.00
C237   C     0.26635   0.41198   0.40345   0.00000  Uiso   1.00
C238   C     0.23957   0.35030   0.33611   0.00000  Uiso   1.00
C240   C     0.16039   0.41202   0.05932   0.00000  Uiso   1.00
C241   C     0.15921   0.29023   0.31757   0.00000  Uiso   1.00
C242   C     0.19802   0.31875   0.31105   0.00000  Uiso   1.00
C243   C     0.17983   0.29174   0.27217   0.00000  Uiso   1.00
N66    N     0.26021   0.43406   0.48541   0.00000  Uiso   1.00
N67    N     0.23054   0.36214   0.07380   0.00000  Uiso   1.00
C248   C     0.27762   0.45628   0.49784   0.00000  Uiso   1.00
C249   C     0.22730   0.34061   0.09446   0.00000  Uiso   1.00
C250   C     0.26124   0.43064   0.45685   0.00000  Uiso   1.00
C252   C     0.25572   0.36546   0.06122   0.00000  Uiso   1.00
C254   C     0.20645   0.37741   0.06828   0.00000  Uiso   1.00
N82    N     0.48763   0.06540   0.23034   0.00000  Uiso   1.00
N83    N     0.47348   0.07922   0.18850   0.00000  Uiso   1.00
N90    N     0.39474   0.35332   0.43117   0.00000  Uiso   1.00
N91    N     0.42385   0.33849   0.46587   0.00000  Uiso   1.00
N92    N     0.41081   0.30962   0.42873   0.00000  Uiso   1.00
C260   C     0.47032   0.06395   0.21051   0.00000  Uiso   1.00
C261   C     0.49477   0.09639   0.18587   0.00000  Uiso   1.00
C266   C     0.40835   0.35750   0.45448   0.00000  Uiso   1.00
C267   C     0.39798   0.33021   0.41762   0.00000  Uiso   1.00
H184   H     0.49561   0.10799   0.16643   0.00000  Uiso   1.00
H186   H     0.45167   0.05326   0.21276   0.00000  Uiso   1.00
H208   H     0.45027   0.31218   0.49945   0.00000  Uiso   1.00
H209   H     0.43222   0.26737   0.42629   0.00000  Uiso   1.00
H210   H     0.46545   0.23287   0.43976   0.00000  Uiso   1.00
H211   H     0.49178   0.19071   0.45174   0.00000  Uiso   1.00
H232   H     0.38534   0.32838   0.39868   0.00000  Uiso   1.00
H234   H     0.40680   0.37751   0.46316   0.00000  Uiso   1.00
C280   C     0.42358   0.31478   0.45266   0.00000  Uiso   1.00
C292   C     0.46972   0.27385   0.49518   0.00000  Uiso   1.00
C294   C     0.45398   0.29529   0.48640   0.00000  Uiso   1.00
C296   C     0.44452   0.27079   0.44455   0.00000  Uiso   1.00
C297   C     0.46118   0.24954   0.45386   0.00000  Uiso   1.00
C358   C     0.44087   0.29398   0.46206   0.00000  Uiso   1.00
N101   N     0.49286   0.23048   0.48690   0.00000  Uiso   1.00
C368   C     0.47425   0.25108   0.47864   0.00000  Uiso   1.00
H258   H     0.42592   0.21421   0.04430   0.00000  Uiso   1.00
H261   H     0.49445   0.16968   0.01402   0.00000  Uiso   1.00
H285   H     0.04402   0.18251   0.03036   0.00000  Uiso   1.00
N109   N     0.01371   0.18824   0.00297   0.00000  Uiso   1.00
N111   N     0.41682   0.22673   0.00424   0.00000  Uiso   1.00
N112   N     0.45757   0.20485   0.01676   0.00000  Uiso   1.00
C377   C     0.03812   0.19323   0.01195   0.00000  Uiso   1.00
C378   C     0.43284   0.21505   0.02328   0.00000  Uiso   1.00
H346   H     0.13719   0.27721   0.42636   0.00000  Uiso   1.00
H347   H     0.20846   0.45798   0.40150   0.00000  Uiso   1.00
H348   H     0.24113   0.49538   0.41214   0.00000  Uiso   1.00
H350   H     0.16766   0.47061   0.47438   0.00000  Uiso   1.00
H351   H     0.17212   0.40195   0.39067   0.00000  Uiso   1.00
H352   H     0.16337   0.35441   0.40599   0.00000  Uiso   1.00
H353   H     0.15286   0.37970   0.48928   0.00000  Uiso   1.00
H354   H     0.15664   0.42745   0.47335   0.00000  Uiso   1.00
H355   H     0.11475   0.45178   0.45338   0.00000  Uiso   1.00
H356   H     0.07289   0.46840   0.43328   0.00000  Uiso   1.00
H357   H     0.10949   0.47273   0.35392   0.00000  Uiso   1.00
H358   H     0.15398   0.45384   0.37608   0.00000  Uiso   1.00
H378   H     0.02762   0.49129   0.20696   0.00000  Uiso   1.00
H379   H     0.00057   0.49271   0.16711   0.00000  Uiso   1.00
H384   H     0.07037   0.48274   0.30477   0.00000  Uiso   1.00
H385   H     0.06847   0.49846   0.25801   0.00000  Uiso   1.00
N144   N     0.04546   0.49062   0.39695   0.00000  Uiso   1.00
N146   N     0.06087   0.48874   0.35478   0.00000  Uiso   1.00
N151   N     0.14603   0.32959   0.48044   0.00000  Uiso   1.00
N155   N     0.14832   0.31826   0.43447   0.00000  Uiso   1.00
N161   N     0.13635   0.28567   0.46637   0.00000  Uiso   1.00
C499   C     0.14160   0.29312   0.44119   0.00000  Uiso   1.00
C511   C     0.06457   0.48442   0.38084   0.00000  Uiso   1.00
C515   C     0.14936   0.33652   0.45408   0.00000  Uiso   1.00
C520   C     0.13871   0.30432   0.48557   0.00000  Uiso   1.00
N171   N     0.16358   0.44392   0.42725   0.00000  Uiso   1.00
C524   C     0.15531   0.38370   0.46713   0.00000  Uiso   1.00
C526   C     0.20567   0.47049   0.41883   0.00000  Uiso   1.00
C528   C     0.15820   0.41110   0.45875   0.00000  Uiso   1.00
C532   C     0.16244   0.36996   0.41982   0.00000  Uiso   1.00
C542   C     0.11558   0.45729   0.43170   0.00000  Uiso   1.00
C543   C     0.05328   0.49506   0.29921   0.00000  Uiso   1.00
C573   C     0.09075   0.46543   0.42096   0.00000  Uiso   1.00
C576   C     0.18155   0.47708   0.45901   0.00000  Uiso   1.00
C577   C     0.19738   0.49895   0.46678   0.00000  Uiso   1.00
C578   C     0.11146   0.46902   0.37571   0.00000  Uiso   1.00
C581   C     0.13618   0.45871   0.38672   0.00000  Uiso   1.00
C588   C     0.22298   0.49181   0.42449   0.00000  Uiso   1.00
C589   C     0.16733   0.39629   0.41294   0.00000  Uiso   1.00
C599   C     0.08865   0.47176   0.39167   0.00000  Uiso   1.00
C608   C     0.15595   0.36329   0.44697   0.00000  Uiso   1.00
C614   C     0.16623   0.41713   0.43307   0.00000  Uiso   1.00
C615   C     0.13851   0.45360   0.41457   0.00000  Uiso   1.00
C627   C     0.18362   0.46380   0.43523   0.00000  Uiso   1.00
N178   N     0.49220   0.19137   0.35389   0.00000  Uiso   1.00
N181   N     0.44365   0.40706   0.34418   0.00000  Uiso   1.00
N182   N     0.44869   0.44497   0.31629   0.00000  Uiso   1.00
N183   N     0.48252   0.41242   0.31849   0.00000  Uiso   1.00
C636   C     0.46674   0.39815   0.33524   0.00000  Uiso   1.00
C644   C     0.49532   0.26601   0.38843   0.00000  Uiso   1.00
C645   C     0.49515   0.23801   0.38159   0.00000  Uiso   1.00
C654   C     0.46482   0.36291   0.37013   0.00000  Uiso   1.00
C655   C     0.47958   0.34180   0.38452   0.00000  Uiso   1.00
H412   H     0.44581   0.36886   0.37959   0.00000  Uiso   1.00
H414   H     0.47166   0.33321   0.40382   0.00000  Uiso   1.00
H416   H     0.47264   0.15663   0.33962   0.00000  Uiso   1.00
H417   H     0.47624   0.27329   0.39598   0.00000  Uiso   1.00
H421   H     0.41643   0.43816   0.34139   0.00000  Uiso   1.00
H423   H     0.48559   0.44688   0.29450   0.00000  Uiso   1.00
H425   H     0.47616   0.22635   0.38099   0.00000  Uiso   1.00
C680   C     0.47790   0.37485   0.34770   0.00000  Uiso   1.00
C688   C     0.49156   0.16868   0.33985   0.00000  Uiso   1.00
C690   C     0.47274   0.43463   0.30773   0.00000  Uiso   1.00
C695   C     0.43480   0.42996   0.33417   0.00000  Uiso   1.00
N197   N     0.22850   0.47878   0.26549   0.00000  Uiso   1.00
N198   N     0.21790   0.48468   0.31236   0.00000  Uiso   1.00
N202   N     0.25389   0.46069   0.05961   0.00000  Uiso   1.00
N203   N     0.27968   0.49781   0.04717   0.00000  Uiso   1.00
N204   N     0.27759   0.46191   0.01839   0.00000  Uiso   1.00
N207   N     0.49268   0.48077   0.01533   0.00000  Uiso   1.00
C709   C     0.26202   0.48557   0.06339   0.00000  Uiso   1.00
C710   C     0.28785   0.48515   0.02551   0.00000  Uiso   1.00
C721   C     0.26204   0.45007   0.03719   0.00000  Uiso   1.00
C732   C     0.22774   0.47050   0.29086   0.00000  Uiso   1.00
H470   H     0.21384   0.49453   0.14474   0.00000  Uiso   1.00
H474   H     0.22499   0.46965   0.10258   0.00000  Uiso   1.00
H476   H     0.23812   0.47409   0.21653   0.00000  Uiso   1.00
H478   H     0.23106   0.44996   0.29528   0.00000  Uiso   1.00
H493   H     0.24601   0.49271   0.17215   0.00000  Uiso   1.00
H494   H     0.25322   0.43207   0.02952   0.00000  Uiso   1.00
C743   C     0.23070   0.49411   0.21245   0.00000  Uiso   1.00
C787   C     0.23216   0.49051   0.10517   0.00000  Uiso   1.00
C807   C     0.30844   0.49794   0.01075   0.00000  Uiso   1.00
N228   N     0.35589   0.29148   0.06432   0.00000  Uiso   1.00
N229   N     0.39918   0.30946   0.06012   0.00000  Uiso   1.00
N230   N     0.36765   0.31305   0.02432   0.00000  Uiso   1.00
C823   C     0.37917   0.29808   0.07441   0.00000  Uiso   1.00
H535   H     0.38591   0.29185   0.09366   0.00000  Uiso   1.00
H557   H     0.30622   0.27382   0.06140   0.00000  Uiso   1.00
H558   H     0.26535   0.25904   0.03544   0.00000  Uiso   1.00
H559   H     0.21538   0.27395   0.01842   0.00000  Uiso   1.00
H560   H     0.17448   0.30012   0.01116   0.00000  Uiso   1.00
H564   H     0.47780   0.38709   0.00963   0.00000  Uiso   1.00
H607   H     0.44623   0.32334   0.04774   0.00000  Uiso   1.00
H609   H     0.47959   0.34262   0.01338   0.00000  Uiso   1.00
C838   C     0.34917   0.30067   0.04014   0.00000  Uiso   1.00
C849   C     0.39252   0.31553   0.03444   0.00000  Uiso   1.00
C881   C     0.31854   0.30624   0.00289   0.00000  Uiso   1.00
C884   C     0.43962   0.33202   0.02793   0.00000  Uiso   1.00
C886   C     0.30318   0.28191   0.04162   0.00000  Uiso   1.00
C889   C     0.27972   0.27446   0.02681   0.00000  Uiso   1.00
C893   C     0.21413   0.28524   0.00036   0.00000  Uiso   1.00
C908   C     0.45795   0.34140   0.00886   0.00000  Uiso   1.00
C915   C     0.32284   0.29757   0.02960   0.00000  Uiso   1.00
C916   C     0.41198   0.32757   0.01778   0.00000  Uiso   1.00
N260   N     0.33439   0.45356   0.23633   0.00000  Uiso   1.00
N261   N     0.29823   0.43756   0.25849   0.00000  Uiso   1.00
N262   N     0.29318   0.44332   0.21216   0.00000  Uiso   1.00
N267   N     0.39645   0.42049   0.00406   0.00000  Uiso   1.00
N268   N     0.35142   0.42297   0.00133   0.00000  Uiso   1.00
N269   N     0.36294   0.41947   0.47649   0.00000  Uiso   1.00
N270   N     0.34430   0.38038   0.49494   0.00000  Uiso   1.00
N271   N     0.34391   0.38606   0.44859   0.00000  Uiso   1.00
N281   N     0.11132   0.30040   0.20167   0.00000  Uiso   1.00
N282   N     0.09645   0.30220   0.24609   0.00000  Uiso   1.00
N283   N     0.07374   0.27423   0.21513   0.00000  Uiso   1.00
N290   N     0.22995   0.24978   0.34878   0.00000  Uiso   1.00
N291   N     0.24997   0.22220   0.31644   0.00000  Uiso   1.00
N292   N     0.26428   0.21943   0.36205   0.00000  Uiso   1.00
C940   C     0.28476   0.43390   0.23639   0.00000  Uiso   1.00
C942   C     0.32319   0.44680   0.25914   0.00000  Uiso   1.00
C943   C     0.31964   0.45062   0.21269   0.00000  Uiso   1.00
C944   C     0.37353   0.42667   0.01565   0.00000  Uiso   1.00
C946   C     0.35972   0.40276   0.49670   0.00000  Uiso   1.00
C947   C     0.33613   0.37279   0.47091   0.00000  Uiso   1.00
C948   C     0.35527   0.41028   0.45213   0.00000  Uiso   1.00
C953   C     0.11348   0.31036   0.22670   0.00000  Uiso   1.00
C956   C     0.24656   0.23932   0.36782   0.00000  Uiso   1.00
N293   N     0.37806   0.47162   0.35725   0.00000  Uiso   1.00
C957   C     0.25014   0.40851   0.26239   0.00000  Uiso   1.00
C958   C     0.22229   0.40211   0.26535   0.00000  Uiso   1.00
C959   C     0.14486   0.36691   0.26348   0.00000  Uiso   1.00
C960   C     0.12933   0.34409   0.25799   0.00000  Uiso   1.00
C961   C     0.15091   0.34101   0.21487   0.00000  Uiso   1.00
C962   C     0.16749   0.36402   0.22049   0.00000  Uiso   1.00
C967   C     0.38961   0.45896   0.08340   0.00000  Uiso   1.00
C968   C     0.39446   0.44475   0.05959   0.00000  Uiso   1.00
C969   C     0.34630   0.44920   0.04896   0.00000  Uiso   1.00
C970   C     0.34216   0.46413   0.07209   0.00000  Uiso   1.00
C971   C     0.32620   0.46632   0.14024   0.00000  Uiso   1.00
C972   C     0.31586   0.45813   0.16540   0.00000  Uiso   1.00
C973   C     0.35829   0.46728   0.18636   0.00000  Uiso   1.00
C974   C     0.36864   0.47732   0.16048   0.00000  Uiso   1.00
C975   C     0.37309   0.46951   0.40620   0.00000  Uiso   1.00
C976   C     0.23936   0.42519   0.21720   0.00000  Uiso   1.00
C977   C     0.41704   0.49146   0.38116   0.00000  Uiso   1.00
C978   C     0.15425   0.44698   0.24526   0.00000  Uiso   1.00
C993   C     0.14295   0.47133   0.25449   0.00000  Uiso   1.00
C994   C     0.28118   0.32833   0.44481   0.00000  Uiso   1.00
C995   C     0.30274   0.34719   0.44362   0.00000  Uiso   1.00
C996   C     0.31414   0.33405   0.49163   0.00000  Uiso   1.00
C997   C     0.29251   0.31496   0.49186   0.00000  Uiso   1.00
C998   C     0.22000   0.31218   0.49936   0.00000  Uiso   1.00
C1003  C     0.26657   0.25548   0.43677   0.00000  Uiso   1.00
C1004  C     0.26245   0.23964   0.41427   0.00000  Uiso   1.00
C1005  C     0.22696   0.26878   0.39974   0.00000  Uiso   1.00
C1006  C     0.22881   0.28299   0.42497   0.00000  Uiso   1.00
C1021  C     0.15073   0.45649   0.30001   0.00000  Uiso   1.00
C1022  C     0.33739   0.45484   0.33340   0.00000  Uiso   1.00
C1023  C     0.16239   0.43305   0.28976   0.00000  Uiso   1.00
C1024  C     0.32524   0.44680   0.30778   0.00000  Uiso   1.00
C1025  C     0.36500   0.46122   0.28390   0.00000  Uiso   1.00
C1040  C     0.37891   0.46822   0.30814   0.00000  Uiso   1.00
C1041  C     0.35982   0.42951   0.37813   0.00000  Uiso   1.00
C1042  C     0.35710   0.41459   0.40194   0.00000  Uiso   1.00
C1043  C     0.21189   0.41743   0.22063   0.00000  Uiso   1.00
C1044  C     0.37029   0.45300   0.42995   0.00000  Uiso   1.00
H610   H     0.32934   0.44346   0.03650   0.00000  Uiso   1.00
H613   H     0.32222   0.46966   0.07641   0.00000  Uiso   1.00
H614   H     0.15870   0.44427   0.22324   0.00000  Uiso   1.00
H616   H     0.13628   0.48522   0.23917   0.00000  Uiso   1.00
H617   H     0.18127   0.37242   0.20590   0.00000  Uiso   1.00
H618   H     0.26813   0.32432   0.42755   0.00000  Uiso   1.00
H619   H     0.31505   0.46496   0.12098   0.00000  Uiso   1.00
H620   H     0.30672   0.35977   0.42612   0.00000  Uiso   1.00
H622   H     0.29470   0.45050   0.16773   0.00000  Uiso   1.00
H624   H     0.22351   0.33177   0.49123   0.00000  Uiso   1.00
H626   H     0.37209   0.46673   0.20426   0.00000  Uiso   1.00
H628   H     0.26302   0.40751   0.28124   0.00000  Uiso   1.00
H630   H     0.38989   0.48283   0.15538   0.00000  Uiso   1.00
H631   H     0.24308   0.24722   0.49594   0.00000  Uiso   1.00
H632   H     0.28378   0.24958   0.44860   0.00000  Uiso   1.00
H634   H     0.27585   0.22333   0.40849   0.00000  Uiso   1.00
H635   H     0.37440   0.46366   0.44904   0.00000  Uiso   1.00
H636   H     0.21544   0.27950   0.38328   0.00000  Uiso   1.00
H638   H     0.21157   0.29701   0.42991   0.00000  Uiso   1.00
H639   H     0.37860   0.49015   0.40857   0.00000  Uiso   1.00
H647   H     0.14292   0.37667   0.28376   0.00000  Uiso   1.00
H655   H     0.41810   0.47304   0.39423   0.00000  Uiso   1.00
H658   H     0.24556   0.43547   0.19831   0.00000  Uiso   1.00
H665   H     0.15089   0.45989   0.32160   0.00000  Uiso   1.00
H667   H     0.32476   0.45241   0.35134   0.00000  Uiso   1.00
H670   H     0.30400   0.43943   0.30770   0.00000  Uiso   1.00
H671   H     0.08716   0.27674   0.17540   0.00000  Uiso   1.00
H672   H     0.17095   0.41839   0.30376   0.00000  Uiso   1.00
H673   H     0.11627   0.33775   0.27381   0.00000  Uiso   1.00
H674   H     0.06141   0.28180   0.25712   0.00000  Uiso   1.00
H675   H     0.37415   0.46657   0.26546   0.00000  Uiso   1.00
H687   H     0.20744   0.38278   0.00873   0.00000  Uiso   1.00
H689   H     0.40648   0.46517   0.09577   0.00000  Uiso   1.00
H691   H     0.17334   0.42098   0.00257   0.00000  Uiso   1.00
H693   H     0.21594   0.39289   0.28450   0.00000  Uiso   1.00
H697   H     0.41383   0.43729   0.05189   0.00000  Uiso   1.00
H698   H     0.11755   0.49228   0.49017   0.00000  Uiso   1.00
H702   H     0.39884   0.47482   0.30706   0.00000  Uiso   1.00
H705   H     0.35958   0.41864   0.35805   0.00000  Uiso   1.00
H708   H     0.15612   0.32957   0.19619   0.00000  Uiso   1.00
H709   H     0.34667   0.39534   0.40024   0.00000  Uiso   1.00
H710   H     0.22045   0.24980   0.30831   0.00000  Uiso   1.00
H711   H     0.28114   0.19725   0.32910   0.00000  Uiso   1.00
H712   H     0.30309   0.42269   0.00050   0.00000  Uiso   1.00
H713   H     0.19679   0.42629   0.20605   0.00000  Uiso   1.00
C1047  C     0.31849   0.35062   0.46879   0.00000  Uiso   1.00
C1050  C     0.13164   0.33148   0.23292   0.00000  Uiso   1.00
C1053  C     0.25910   0.42091   0.23784   0.00000  Uiso   1.00
C1054  C     0.14242   0.47800   0.28209   0.00000  Uiso   1.00
C1057  C     0.37169   0.43987   0.04163   0.00000  Uiso   1.00
C1058  C     0.33174   0.45864   0.18879   0.00000  Uiso   1.00
C1059  C     0.24516   0.24881   0.39366   0.00000  Uiso   1.00
C1060  C     0.33820   0.45215   0.28300   0.00000  Uiso   1.00
C1061  C     0.36214   0.42547   0.42856   0.00000  Uiso   1.00
C1062  C     0.39833   0.49206   0.35987   0.00000  Uiso   1.00
C1063  C     0.36914   0.45766   0.38123   0.00000  Uiso   1.00
C1066  C     0.36580   0.46461   0.33303   0.00000  Uiso   1.00
N297   N     0.25405   0.29298   0.46821   0.00000  Uiso   1.00
N298   N     0.17564   0.40410   0.25152   0.00000  Uiso   1.00
N299   N     0.35968   0.48893   0.11252   0.00000  Uiso   1.00
C1069  C     0.23531   0.29051   0.49031   0.00000  Uiso   1.00
C1070  C     0.35147   0.47800   0.13870   0.00000  Uiso   1.00
C1072  C     0.27646   0.31174   0.46810   0.00000  Uiso   1.00
C1074  C     0.24889   0.27769   0.44333   0.00000  Uiso   1.00
C1076  C     0.36382   0.46998   0.08958   0.00000  Uiso   1.00
C1077  C     0.16220   0.42694   0.26224   0.00000  Uiso   1.00
C1080  C     0.16231   0.37847   0.24476   0.00000  Uiso   1.00
C1081  C     0.20366   0.40640   0.24504   0.00000  Uiso   1.00
C1092  C     0.23121   0.23990   0.32350   0.00000  Uiso   1.00
C1094  C     0.09128   0.28238   0.19615   0.00000  Uiso   1.00
C1095  C     0.26652   0.21242   0.33593   0.00000  Uiso   1.00
C1097  C     0.07726   0.28409   0.24016   0.00000  Uiso   1.00
N335   N     0.48879   0.44263   0.38869   0.00000  Uiso   1.00
N336   N     0.48576   0.47386   0.42520   0.00000  Uiso   1.00
H794   H     0.45509   0.44699   0.41435   0.00000  Uiso   1.00
C1316  C     0.47600   0.45408   0.40979   0.00000  Uiso   1.00
N377   N     0.12359   0.39278   0.15471   0.00000  Uiso   1.00
N378   N     0.12148   0.43788   0.16751   0.00000  Uiso   1.00
N379   N     0.10124   0.42325   0.12564   0.00000  Uiso   1.00
N383   N     0.17192   0.21642   0.03487   0.00000  Uiso   1.00
N384   N     0.21597   0.20683   0.04815   0.00000  Uiso   1.00
N385   N     0.19514   0.24652   0.06321   0.00000  Uiso   1.00
C1414  C     0.12991   0.41308   0.17196   0.00000  Uiso   1.00
C1416  C     0.19377   0.20064   0.03359   0.00000  Uiso   1.00
C1417  C     0.21660   0.22980   0.06305   0.00000  Uiso   1.00
H923   H     0.17451   0.28772   0.07271   0.00000  Uiso   1.00
H925   H     0.13929   0.40799   0.19108   0.00000  Uiso   1.00
H926   H     0.14463   0.32168   0.06889   0.00000  Uiso   1.00
H927   H     0.19244   0.18064   0.02307   0.00000  Uiso   1.00
H928   H     0.23599   0.23626   0.07198   0.00000  Uiso   1.00
H942   H     0.10506   0.31098   0.10308   0.00000  Uiso   1.00
H943   H     0.11604   0.34298   0.13708   0.00000  Uiso   1.00
H947   H     0.09383   0.40939   0.08241   0.00000  Uiso   1.00
H949   H     0.07452   0.46241   0.10391   0.00000  Uiso   1.00
H950   H     0.12545   0.48735   0.17157   0.00000  Uiso   1.00
H963   H     0.09007   0.37497   0.04462   0.00000  Uiso   1.00
H978   H     0.08591   0.27048   0.02462   0.00000  Uiso   1.00
H979   H     0.01695   0.35679   0.00766   0.00000  Uiso   1.00
H982   H     0.12252   0.23342   0.02423   0.00000  Uiso   1.00
H984   H     0.04516   0.35125   0.04856   0.00000  Uiso   1.00
C1427  C     0.10791   0.44314   0.14405   0.00000  Uiso   1.00
C1428  C     0.17324   0.23918   0.05006   0.00000  Uiso   1.00
C1434  C     0.11134   0.39901   0.13070   0.00000  Uiso   1.00
N401   N     0.09388   0.32206   0.04760   0.00000  Uiso   1.00
C1451  C     0.08863   0.36827   0.06538   0.00000  Uiso   1.00
C1452  C     0.10264   0.33141   0.09600   0.00000  Uiso   1.00
C1464  C     0.08240   0.47710   0.11766   0.00000  Uiso   1.00
C1469  C     0.10825   0.35076   0.11677   0.00000  Uiso   1.00
C1472  C     0.11193   0.49239   0.15457   0.00000  Uiso   1.00
C1474  C     0.08042   0.31163   0.00123   0.00000  Uiso   1.00
C1475  C     0.10678   0.27389   0.03347   0.00000  Uiso   1.00
C1476  C     0.03525   0.34462   0.00675   0.00000  Uiso   1.00
C1479  C     0.12508   0.25322   0.03608   0.00000  Uiso   1.00
C1481  C     0.09309   0.38741   0.08587   0.00000  Uiso   1.00
C1482  C     0.13633   0.30383   0.06128   0.00000  Uiso   1.00
C1483  C     0.05173   0.34069   0.03039   0.00000  Uiso   1.00
C1485  C     0.15467   0.28308   0.06189   0.00000  Uiso   1.00
C1487  C     0.10006   0.47092   0.13959   0.00000  Uiso   1.00
C1493  C     0.10323   0.37759   0.11186   0.00000  Uiso   1.00
C1497  C     0.15021   0.25764   0.05008   0.00000  Uiso   1.00
C1498  C     0.07595   0.32530   0.02651   0.00000  Uiso   1.00
C1499  C     0.09523   0.34036   0.06986   0.00000  Uiso   1.00
C1500  C     0.11183   0.29920   0.04691   0.00000  Uiso   1.00
N441   N     0.45581   0.47170   0.49436   0.00000  Uiso   1.00
N457   N     0.28876   0.49457   0.35848   0.00000  Uiso   1.00
N459   N     0.28689   0.49835   0.31189   0.00000  Uiso   1.00
H1051  H     0.29580   0.49476   0.40675   0.00000  Uiso   1.00
H1058  H     0.43437   0.49534   0.45486   0.00000  Uiso   1.00
H1073  H     0.26359   0.47001   0.33758   0.00000  Uiso   1.00
H1102  H     0.29126   0.49982   0.26530   0.00000  Uiso   1.00
H1112  H     0.42811   0.49086   0.22675   0.00000  Uiso   1.00
H1140  H     0.48436   0.44267   0.49530   0.00000  Uiso   1.00
C1759  C     0.27818   0.48630   0.33594   0.00000  Uiso   1.00
N1     N     0.81497   0.25514   0.03398   0.00000  Uiso   1.00
N2     N     0.84481   0.22281   0.04448   0.00000  Uiso   1.00
N3     N     0.80057   0.21986   0.06106   0.00000  Uiso   1.00
N5     N     0.97572   0.07784   0.07752   0.00000  Uiso   1.00
N6     N     0.95530   0.04385   0.04987   0.00000  Uiso   1.00
N7     N     0.73658   0.01852   0.17849   0.00000  Uiso   1.00
N8     N     0.74471   0.04962   0.14506   0.00000  Uiso   1.00
N9     N     0.77908   0.02193   0.15893   0.00000  Uiso   1.00
N10    N     0.66968   0.45428   0.08682   0.00000  Uiso   1.00
N11    N     0.66892   0.41975   0.05551   0.00000  Uiso   1.00
N12    N     0.67975   0.40979   0.10023   0.00000  Uiso   1.00
N13    N     0.53700   0.22346   0.02514   0.00000  Uiso   1.00
N14    N     0.57452   0.24313   0.00449   0.00000  Uiso   1.00
N15    N     0.57060   0.24282   0.05137   0.00000  Uiso   1.00
N26    N     0.97852   0.39648   0.06929   0.00000  Uiso   1.00
C1     C     0.82553   0.20979   0.05908   0.00000  Uiso   1.00
C2     C     0.83944   0.24463   0.03103   0.00000  Uiso   1.00
C3     C     0.95362   0.06447   0.06818   0.00000  Uiso   1.00
C4     C     0.79516   0.24302   0.04811   0.00000  Uiso   1.00
C5     C     0.77079   0.04249   0.14485   0.00000  Uiso   1.00
C6     C     0.76073   0.00918   0.17428   0.00000  Uiso   1.00
C7     C     0.67738   0.40234   0.07496   0.00000  Uiso   1.00
C8     C     0.58428   0.24779   0.02909   0.00000  Uiso   1.00
C14    C     0.98564   0.37075   0.06736   0.00000  Uiso   1.00
N34    N     0.85144   0.10540   0.09896   0.00000  Uiso   1.00
C17    C     0.97891   0.32557   0.04884   0.00000  Uiso   1.00
C18    C     0.96412   0.30897   0.03126   0.00000  Uiso   1.00
C19    C     0.88296   0.29811   0.00095   0.00000  Uiso   1.00
C20    C     0.85876   0.28538   0.00889   0.00000  Uiso   1.00
C21    C     0.88523   0.24414   0.01345   0.00000  Uiso   1.00
C22    C     0.90963   0.25712   0.00566   0.00000  Uiso   1.00
C23    C     0.64693   0.27445   0.06242   0.00000  Uiso   1.00
C24    C     0.62141   0.26322   0.05908   0.00000  Uiso   1.00
C25    C     0.62910   0.26070   0.01112   0.00000  Uiso   1.00
C26    C     0.65441   0.27401   0.01511   0.00000  Uiso   1.00
C27    C     0.73793   0.28929   0.03311   0.00000  Uiso   1.00
C28    C     0.76404   0.27751   0.03684   0.00000  Uiso   1.00
C29    C     0.74601   0.24207   0.06182   0.00000  Uiso   1.00
C30    C     0.71972   0.25459   0.06049   0.00000  Uiso   1.00
C31    C     0.68279   0.34173   0.03274   0.00000  Uiso   1.00
C32    C     0.67718   0.36796   0.04130   0.00000  Uiso   1.00
C33    C     0.68907   0.35499   0.08753   0.00000  Uiso   1.00
C34    C     0.69016   0.32845   0.07974   0.00000  Uiso   1.00
C35    C     0.83759   0.06308   0.11644   0.00000  Uiso   1.00
C36    C     0.87806   0.06943   0.07684   0.00000  Uiso   1.00
C38    C     0.95194   0.36354   0.03323   0.00000  Uiso   1.00
C52    C     0.90464   0.06016   0.06924   0.00000  Uiso   1.00
C53    C     0.92647   0.09786   0.09407   0.00000  Uiso   1.00
C55    C     0.90032   0.10852   0.09929   0.00000  Uiso   1.00
C56    C     0.82188   0.14417   0.09879   0.00000  Uiso   1.00
C69    C     0.81552   0.16974   0.08841   0.00000  Uiso   1.00
C71    C     0.85836   0.17337   0.06829   0.00000  Uiso   1.00
C73    C     0.86644   0.14911   0.08045   0.00000  Uiso   1.00
C74    C     0.80266   0.09319   0.09912   0.00000  Uiso   1.00
C75    C     0.78306   0.07613   0.11141   0.00000  Uiso   1.00
C89    C     0.93927   0.34698   0.01362   0.00000  Uiso   1.00
C90    C     0.81795   0.04612   0.12820   0.00000  Uiso   1.00
H4     H     0.84027   0.29801   0.01016   0.00000  Uiso   1.00
H6     H     0.73493   0.30804   0.02149   0.00000  Uiso   1.00
H9     H     0.78018   0.28923   0.02800   0.00000  Uiso   1.00
H13    H     0.74723   0.22304   0.07437   0.00000  Uiso   1.00
H15    H     0.67553   0.44167   0.12696   0.00000  Uiso   1.00
H16    H     0.88522   0.22250   0.01790   0.00000  Uiso   1.00
H17    H     0.65964   0.45994   0.04782   0.00000  Uiso   1.00
H18    H     0.90514   0.04173   0.05596   0.00000  Uiso   1.00
H20    H     0.53397   0.22397   0.06536   0.00000  Uiso   1.00
H21    H     0.70273   0.24337   0.06775   0.00000  Uiso   1.00
H23    H     0.94319   0.10882   0.10323   0.00000  Uiso   1.00
H24    H     0.97108   0.28729   0.02843   0.00000  Uiso   1.00
H26    H     0.89816   0.12876   0.11111   0.00000  Uiso   1.00
H28    H     0.68058   0.33913   0.01063   0.00000  Uiso   1.00
H29    H     0.92988   0.24710   0.00547   0.00000  Uiso   1.00
H31    H     0.67216   0.38371   0.02523   0.00000  Uiso   1.00
H35    H     0.69357   0.36214   0.10760   0.00000  Uiso   1.00
H38    H     0.69356   0.31312   0.09490   0.00000  Uiso   1.00
H41    H     0.98287   0.01922   0.02996   0.00000  Uiso   1.00
H43    H     0.82247   0.02761   0.13934   0.00000  Uiso   1.00
H48    H     0.80425   0.13811   0.11114   0.00000  Uiso   1.00
H50    H     0.85773   0.05644   0.12147   0.00000  Uiso   1.00
H51    H     0.79445   0.17687   0.09111   0.00000  Uiso   1.00
H55    H     0.87431   0.18298   0.05724   0.00000  Uiso   1.00
H59    H     0.88528   0.14261   0.07186   0.00000  Uiso   1.00
H60    H     0.98617   0.43454   0.08545   0.00000  Uiso   1.00
H63    H     0.79277   0.10846   0.08754   0.00000  Uiso   1.00
H64    H     0.70669   0.04695   0.16073   0.00000  Uiso   1.00
H65    H     0.65235   0.27927   0.08208   0.00000  Uiso   1.00
H68    H     0.86030   0.05811   0.07060   0.00000  Uiso   1.00
H70    H     0.94432   0.38275   0.03563   0.00000  Uiso   1.00
H72    H     0.61042   0.26015   0.07848   0.00000  Uiso   1.00
H86    H     0.99269   0.31569   0.06361   0.00000  Uiso   1.00
H89    H     0.76204   0.08204   0.10906   0.00000  Uiso   1.00
C92    C     0.97149   0.35287   0.05067   0.00000  Uiso   1.00
C95    C     0.92817   0.07371   0.07748   0.00000  Uiso   1.00
C97    C     0.61104   0.25645   0.03333   0.00000  Uiso   1.00
C101   C     0.68158   0.37477   0.06802   0.00000  Uiso   1.00
C102   C     0.76900   0.25374   0.04992   0.00000  Uiso   1.00
C104   C     0.83265   0.18547   0.07211   0.00000  Uiso   1.00
C105   C     0.85945   0.25777   0.01688   0.00000  Uiso   1.00
C106   C     0.79090   0.05369   0.12786   0.00000  Uiso   1.00
C107   C     0.87629   0.09385   0.09139   0.00000  Uiso   1.00
C108   C     0.84751   0.13269   0.09459   0.00000  Uiso   1.00
C111   C     0.83004   0.08627   0.10248   0.00000  Uiso   1.00
N38    N     0.68948   0.29290   0.04726   0.00000  Uiso   1.00
C116   C     0.94499   0.31913   0.01226   0.00000  Uiso   1.00
C118   C     0.66386   0.28058   0.04083   0.00000  Uiso   1.00
C119   C     0.68643   0.32109   0.05295   0.00000  Uiso   1.00
C120   C     0.90877   0.28515   0.00041   0.00000  Uiso   1.00
C124   C     0.71465   0.27847   0.04669   0.00000  Uiso   1.00
C127   C     0.55080   0.22972   0.00268   0.00000  Uiso   1.00
C129   C     0.54701   0.23031   0.04795   0.00000  Uiso   1.00
C132   C     0.66576   0.44535   0.06226   0.00000  Uiso   1.00
C133   C     0.72772   0.03790   0.16241   0.00000  Uiso   1.00
C134   C     0.98093   0.03581   0.04307   0.00000  Uiso   1.00
C135   C     0.99329   0.41330   0.08441   0.00000  Uiso   1.00
C137   C     0.67514   0.43633   0.10558   0.00000  Uiso   1.00
N72    N     0.68314   0.00282   0.31858   0.00000  Uiso   1.00
N75    N     0.86127   0.06155   0.18501   0.00000  Uiso   1.00
N76    N     0.86875   0.10677   0.17407   0.00000  Uiso   1.00
N77    N     0.83796   0.09441   0.20965   0.00000  Uiso   1.00
N78    N     0.62091   0.18547   0.38526   0.00000  Uiso   1.00
N79    N     0.59994   0.21702   0.41253   0.00000  Uiso   1.00
N80    N     0.57663   0.17790   0.40125   0.00000  Uiso   1.00
N81    N     0.51225   0.09716   0.20581   0.00000  Uiso   1.00
C257   C     0.87503   0.08017   0.17098   0.00000  Uiso   1.00
C258   C     0.85202   0.11268   0.19520   0.00000  Uiso   1.00
C259   C     0.62108   0.20937   0.39811   0.00000  Uiso   1.00
H167   H     0.88925   0.07504   0.15485   0.00000  Uiso   1.00
H168   H     0.84951   0.13455   0.19987   0.00000  Uiso   1.00
H169   H     0.53772   0.05249   0.31086   0.00000  Uiso   1.00
H170   H     0.50511   0.05089   0.27680   0.00000  Uiso   1.00
H171   H     0.54791   0.11547   0.23278   0.00000  Uiso   1.00
H172   H     0.58220   0.11529   0.27014   0.00000  Uiso   1.00
H173   H     0.58025   0.04721   0.35200   0.00000  Uiso   1.00
H174   H     0.61182   0.00804   0.35941   0.00000  Uiso   1.00
H175   H     0.65900   0.03515   0.28936   0.00000  Uiso   1.00
H176   H     0.63087   0.07237   0.28327   0.00000  Uiso   1.00
H177   H     0.62837   0.11300   0.31972   0.00000  Uiso   1.00
H178   H     0.63508   0.15167   0.35651   0.00000  Uiso   1.00
H179   H     0.55236   0.14049   0.38199   0.00000  Uiso   1.00
H180   H     0.54507   0.10337   0.34670   0.00000  Uiso   1.00
H182   H     0.64093   0.21885   0.39666   0.00000  Uiso   1.00
H185   H     0.85277   0.01774   0.19747   0.00000  Uiso   1.00
H205   H     0.75476   0.01148   0.25293   0.00000  Uiso   1.00
H212   H     0.52877   0.17930   0.41583   0.00000  Uiso   1.00
H213   H     0.57434   0.24815   0.44603   0.00000  Uiso   1.00
H214   H     0.54120   0.25661   0.48147   0.00000  Uiso   1.00
H233   H     0.71408   0.01557   0.28194   0.00000  Uiso   1.00
H241   H     0.80959   0.07493   0.24839   0.00000  Uiso   1.00
H243   H     0.79350   0.03649   0.27780   0.00000  Uiso   1.00
C273   C     0.66068   0.00313   0.33400   0.00000  Uiso   1.00
C274   C     0.84427   0.06875   0.20457   0.00000  Uiso   1.00
C276   C     0.57799   0.20165   0.41423   0.00000  Uiso   1.00
C277   C     0.59792   0.17033   0.38681   0.00000  Uiso   1.00
C278   C     0.50795   0.08216   0.22833   0.00000  Uiso   1.00
C286   C     0.81580   0.05431   0.24378   0.00000  Uiso   1.00
C287   C     0.56482   0.10138   0.27133   0.00000  Uiso   1.00
C288   C     0.83879   0.02112   0.21405   0.00000  Uiso   1.00
C290   C     0.73124   0.00231   0.28700   0.00000  Uiso   1.00
C295   C     0.56813   0.13522   0.36813   0.00000  Uiso   1.00
C298   C     0.50963   0.20288   0.44925   0.00000  Uiso   1.00
C299   C     0.59824   0.04463   0.33942   0.00000  Uiso   1.00
C300   C     0.53171   0.19464   0.43146   0.00000  Uiso   1.00
C301   C     0.55714   0.23448   0.44665   0.00000  Uiso   1.00
C303   C     0.53810   0.23945   0.46771   0.00000  Uiso   1.00
C307   C     0.61636   0.02371   0.34340   0.00000  Uiso   1.00
C309   C     0.54323   0.06497   0.29377   0.00000  Uiso   1.00
C311   C     0.82961   0.00063   0.23146   0.00000  Uiso   1.00
C319   C     0.64310   0.03653   0.30346   0.00000  Uiso   1.00
C327   C     0.62425   0.05652   0.29790   0.00000  Uiso   1.00
C332   C     0.52256   0.06435   0.27381   0.00000  Uiso   1.00
C334   C     0.54618   0.10114   0.24999   0.00000  Uiso   1.00
C335   C     0.56446   0.11485   0.34799   0.00000  Uiso   1.00
C339   C     0.61307   0.11932   0.33364   0.00000  Uiso   1.00
C342   C     0.75566   0.00232   0.27328   0.00000  Uiso   1.00
C344   C     0.80445   0.03249   0.25922   0.00000  Uiso   1.00
C345   C     0.61762   0.13939   0.35358   0.00000  Uiso   1.00
C347   C     0.59475   0.14696   0.37047   0.00000  Uiso   1.00
C349   C     0.63967   0.01922   0.32591   0.00000  Uiso   1.00
C352   C     0.55547   0.20998   0.43108   0.00000  Uiso   1.00
C357   C     0.83183   0.04879   0.22083   0.00000  Uiso   1.00
C359   C     0.52462   0.08267   0.25141   0.00000  Uiso   1.00
C361   C     0.81196   0.00558   0.25267   0.00000  Uiso   1.00
N100   N     0.58458   0.08439   0.31259   0.00000  Uiso   1.00
C365   C     0.60235   0.06109   0.31659   0.00000  Uiso   1.00
C367   C     0.58696   0.10755   0.33123   0.00000  Uiso   1.00
C374   C     0.56375   0.08285   0.29239   0.00000  Uiso   1.00
C375   C     0.51419   0.22380   0.46787   0.00000  Uiso   1.00
H314   H     0.70792   0.23671   0.00259   0.00000  Uiso   1.00
H315   H     0.71404   0.15560   0.03002   0.00000  Uiso   1.00
N119   N     0.71614   0.19691   0.01639   0.00000  Uiso   1.00
N120   N     0.67753   0.16885   0.01409   0.00000  Uiso   1.00
C380   C     0.70412   0.17304   0.02032   0.00000  Uiso   1.00
C383   C     0.70092   0.21657   0.00419   0.00000  Uiso   1.00
H402   H     0.96548   0.49488   0.09220   0.00000  Uiso   1.00
N179   N     0.51175   0.15818   0.32551   0.00000  Uiso   1.00
N180   N     0.53880   0.19384   0.34195   0.00000  Uiso   1.00
N191   N     0.76254   0.48007   0.49593   0.00000  Uiso   1.00
C632   C     0.56241   0.32895   0.49625   0.00000  Uiso   1.00
C635   C     0.51631   0.20350   0.35477   0.00000  Uiso   1.00
C639   C     0.73667   0.48714   0.49209   0.00000  Uiso   1.00
C646   C     0.54296   0.24282   0.36996   0.00000  Uiso   1.00
C647   C     0.54298   0.27087   0.37755   0.00000  Uiso   1.00
C648   C     0.51830   0.30264   0.44367   0.00000  Uiso   1.00
C649   C     0.52750   0.30871   0.46937   0.00000  Uiso   1.00
C650   C     0.55922   0.34023   0.44725   0.00000  Uiso   1.00
C651   C     0.54677   0.33730   0.42090   0.00000  Uiso   1.00
C652   C     0.51868   0.34493   0.35621   0.00000  Uiso   1.00
C653   C     0.50473   0.36575   0.34172   0.00000  Uiso   1.00
H410   H     0.53903   0.33835   0.35039   0.00000  Uiso   1.00
H411   H     0.51577   0.37589   0.32565   0.00000  Uiso   1.00
H418   H     0.55204   0.16512   0.31620   0.00000  Uiso   1.00
H428   H     0.56091   0.23211   0.36323   0.00000  Uiso   1.00
H431   H     0.55990   0.28528   0.37499   0.00000  Uiso   1.00
H436   H     0.50249   0.28845   0.44133   0.00000  Uiso   1.00
H440   H     0.51938   0.29940   0.48790   0.00000  Uiso   1.00
H444   H     0.57811   0.35111   0.44853   0.00000  Uiso   1.00
H445   H     0.61397   0.38452   0.49441   0.00000  Uiso   1.00
H452   H     0.55807   0.34134   0.40286   0.00000  Uiso   1.00
H455   H     0.80185   0.48460   0.47998   0.00000  Uiso   1.00
C678   C     0.54982   0.32697   0.47112   0.00000  Uiso   1.00
C684   C     0.51868   0.22752   0.36938   0.00000  Uiso   1.00
C691   C     0.53458   0.17188   0.32720   0.00000  Uiso   1.00
C696   C     0.77996   0.48887   0.47766   0.00000  Uiso   1.00
N195   N     0.51737   0.30981   0.39262   0.00000  Uiso   1.00
C701   C     0.50441   0.33133   0.37635   0.00000  Uiso   1.00
C702   C     0.52597   0.31716   0.41952   0.00000  Uiso   1.00
C703   C     0.51940   0.28258   0.38700   0.00000  Uiso   1.00
N206   N     0.52839   0.49563   0.04127   0.00000  Uiso   1.00
C723   C     0.51737   0.47720   0.02650   0.00000  Uiso   1.00
H473   H     0.52942   0.45960   0.02333   0.00000  Uiso   1.00
N246   N     0.61746   0.43004   0.00999   0.00000  Uiso   1.00
N248   N     0.57090   0.42731   0.01735   0.00000  Uiso   1.00
C832   C     0.59509   0.43642   0.02325   0.00000  Uiso   1.00
H567   H     0.52131   0.41232   0.02555   0.00000  Uiso   1.00
H574   H     0.59445   0.45148   0.04039   0.00000  Uiso   1.00
C911   C     0.52019   0.40118   0.00580   0.00000  Uiso   1.00
H714   H     0.54342   0.43914   0.43518   0.00000  Uiso   1.00
H715   H     0.59680   0.46014   0.49457   0.00000  Uiso   1.00
H725   H     0.50636   0.38349   0.48953   0.00000  Uiso   1.00
N300   N     0.57202   0.45236   0.46233   0.00000  Uiso   1.00
N320   N     0.53787   0.42108   0.47174   0.00000  Uiso   1.00
C1104  C     0.58035   0.44805   0.48766   0.00000  Uiso   1.00
C1108  C     0.55100   0.43768   0.45580   0.00000  Uiso   1.00
C1119  C     0.54539   0.42181   0.49778   0.00000  Uiso   1.00
N337   N     0.52398   0.47177   0.39693   0.00000  Uiso   1.00
C1218  C     0.51161   0.48196   0.41861   0.00000  Uiso   1.00
H792   H     0.52351   0.44385   0.36654   0.00000  Uiso   1.00
H821   H     0.87085   0.49218   0.34838   0.00000  Uiso   1.00
C1323  C     0.51230   0.45327   0.38214   0.00000  Uiso   1.00
H929   H     0.88361   0.45934   0.00229   0.00000  Uiso   1.00
H987   H     0.66712   0.00725   0.11367   0.00000  Uiso   1.00
H988   H     0.70805   0.01720   0.08573   0.00000  Uiso   1.00
H991   H     0.61792   0.00007   0.15318   0.00000  Uiso   1.00
H992   H     0.60740   0.03884   0.17821   0.00000  Uiso   1.00
H993   H     0.67955   0.02527   0.22889   0.00000  Uiso   1.00
H1001  H     0.85323   0.14467   0.02152   0.00000  Uiso   1.00
H1002  H     0.81315   0.11864   0.02706   0.00000  Uiso   1.00
H1007  H     0.73588   0.08504   0.01003   0.00000  Uiso   1.00
H1008  H     0.73606   0.04948   0.04587   0.00000  Uiso   1.00
H1009  H     0.82122   0.03678   0.03076   0.00000  Uiso   1.00
H1025  H     0.92428   0.17377   0.02596   0.00000  Uiso   1.00
H1026  H     0.54879   0.33094   0.04607   0.00000  Uiso   1.00
H1027  H     0.62404   0.36316   0.04868   0.00000  Uiso   1.00
H1028  H     0.60071   0.11676   0.22431   0.00000  Uiso   1.00
H1029  H     0.67792   0.10414   0.25490   0.00000  Uiso   1.00
H1032  H     0.85394   0.00708   0.07215   0.00000  Uiso   1.00
H1042  H     0.91887   0.01332   0.29010   0.00000  Uiso   1.00
N412   N     0.88854   0.16619   0.00356   0.00000  Uiso   1.00
N413   N     0.75811   0.01266   0.07479   0.00000  Uiso   1.00
N414   N     0.58424   0.34914   0.04672   0.00000  Uiso   1.00
N415   N     0.61617   0.33971   0.01359   0.00000  Uiso   1.00
N416   N     0.57226   0.32160   0.01024   0.00000  Uiso   1.00
N417   N     0.80439   0.01070   0.06980   0.00000  Uiso   1.00
N418   N     0.63995   0.11503   0.23756   0.00000  Uiso   1.00
N419   N     0.66090   0.07178   0.23342   0.00000  Uiso   1.00
N420   N     0.61860   0.07931   0.21448   0.00000  Uiso   1.00
C1513  C     0.77992   0.02118   0.06233   0.00000  Uiso   1.00
C1514  C     0.59785   0.32478   0.00077   0.00000  Uiso   1.00
C1516  C     0.63973   0.06301   0.21836   0.00000  Uiso   1.00
C1524  C     0.91312   0.17416   0.00566   0.00000  Uiso   1.00
C1525  C     0.60883   0.35217   0.03714   0.00000  Uiso   1.00
C1526  C     0.56739   0.33427   0.03368   0.00000  Uiso   1.00
C1527  C     0.66126   0.09827   0.24201   0.00000  Uiso   1.00
C1529  C     0.61858   0.10420   0.22444   0.00000  Uiso   1.00
C1538  C     0.80305   0.04765   0.02651   0.00000  Uiso   1.00
C1539  C     0.66598   0.01934   0.21162   0.00000  Uiso   1.00
C1540  C     0.75438   0.07397   0.01287   0.00000  Uiso   1.00
C1541  C     0.80333   0.06793   0.00693   0.00000  Uiso   1.00
C1561  C     0.83945   0.14319   0.00499   0.00000  Uiso   1.00
C1565  C     0.81970   0.12479   0.00727   0.00000  Uiso   1.00
C1567  C     0.62562   0.02894   0.18422   0.00000  Uiso   1.00
C1571  C     0.70987   0.00201   0.10087   0.00000  Uiso   1.00
C1575  C     0.63273   0.00770   0.16789   0.00000  Uiso   1.00
C1584  C     0.75493   0.05464   0.03407   0.00000  Uiso   1.00
C1586  C     0.64293   0.03782   0.20616   0.00000  Uiso   1.00
C1587  C     0.77965   0.04088   0.04133   0.00000  Uiso   1.00
C1608  C     0.77929   0.08259   0.00184   0.00000  Uiso   1.00
H349   H     0.19568   0.50809   0.48664   0.00000  Uiso   1.00
H372   H     0.24259   0.57934   0.49925   0.00000  Uiso   1.00
H373   H     0.29249   0.55909   0.43290   0.00000  Uiso   1.00
H376   H     0.00961   0.50695   0.40331   0.00000  Uiso   1.00
H381   H     0.00526   0.57541   0.22200   0.00000  Uiso   1.00
H383   H     0.00174   0.53456   0.32263   0.00000  Uiso   1.00
H386   H     0.04202   0.59099   0.24788   0.00000  Uiso   1.00
H387   H     0.07723   0.62327   0.23591   0.00000  Uiso   1.00
H388   H     0.12247   0.55921   0.19831   0.00000  Uiso   1.00
H389   H     0.08384   0.52408   0.21380   0.00000  Uiso   1.00
H408   H     0.13913   0.67351   0.21929   0.00000  Uiso   1.00
H409   H     0.18078   0.61488   0.17711   0.00000  Uiso   1.00
N138   N     0.23050   0.54533   0.47675   0.00000  Uiso   1.00
N139   N     0.25842   0.53439   0.43939   0.00000  Uiso   1.00
N140   N     0.26670   0.57249   0.46562   0.00000  Uiso   1.00
N145   N     0.01920   0.50742   0.36187   0.00000  Uiso   1.00
N163   N     0.16125   0.64647   0.19780   0.00000  Uiso   1.00
N164   N     0.14503   0.60181   0.19461   0.00000  Uiso   1.00
N165   N     0.11957   0.63588   0.21678   0.00000  Uiso   1.00
C489   C     0.27347   0.55646   0.44534   0.00000  Uiso   1.00
C490   C     0.24671   0.56581   0.48190   0.00000  Uiso   1.00
C493   C     0.02310   0.50268   0.38787   0.00000  Uiso   1.00
C503   C     0.16329   0.62084   0.18913   0.00000  Uiso   1.00
C505   C     0.13843   0.65375   0.21057   0.00000  Uiso   1.00
C506   C     0.23630   0.53000   0.45541   0.00000  Uiso   1.00
C510   C     0.03812   0.50078   0.34545   0.00000  Uiso   1.00
C522   C     0.12222   0.61022   0.20869   0.00000  Uiso   1.00
N167   N     0.03846   0.53769   0.23915   0.00000  Uiso   1.00
C533   C     0.01698   0.50938   0.20233   0.00000  Uiso   1.00
C534   C     0.00287   0.51125   0.17748   0.00000  Uiso   1.00
C538   C     0.00497   0.55754   0.20881   0.00000  Uiso   1.00
C539   C     0.01431   0.53369   0.28205   0.00000  Uiso   1.00
C541   C     0.01379   0.52301   0.30849   0.00000  Uiso   1.00
C545   C     0.05413   0.50557   0.27301   0.00000  Uiso   1.00
C547   C     0.05813   0.58261   0.23702   0.00000  Uiso   1.00
C548   C     0.07968   0.60126   0.23182   0.00000  Uiso   1.00
C550   C     0.10365   0.56513   0.20945   0.00000  Uiso   1.00
C551   C     0.08339   0.54631   0.21835   0.00000  Uiso   1.00
C602   C     0.10249   0.59240   0.21768   0.00000  Uiso   1.00
C605   C     0.21928   0.50640   0.44965   0.00000  Uiso   1.00
C607   C     0.03446   0.50572   0.31779   0.00000  Uiso   1.00
C616   C     0.03550   0.52582   0.26374   0.00000  Uiso   1.00
C620   C     0.01881   0.53341   0.21754   0.00000  Uiso   1.00
C623   C     0.06102   0.55512   0.23178   0.00000  Uiso   1.00
N196   N     0.21206   0.52044   0.27945   0.00000  Uiso   1.00
N199   N     0.22817   0.67119   0.18348   0.00000  Uiso   1.00
N200   N     0.21926   0.67624   0.13768   0.00000  Uiso   1.00
N201   N     0.21537   0.71353   0.16483   0.00000  Uiso   1.00
N205   N     0.49117   0.52325   0.03674   0.00000  Uiso   1.00
N211   N     0.01882   0.56881   0.37958   0.00000  Uiso   1.00
N212   N     0.02347   0.60350   0.34659   0.00000  Uiso   1.00
N218   N     0.20126   0.64698   0.47006   0.00000  Uiso   1.00
N219   N     0.18483   0.61336   0.49884   0.00000  Uiso   1.00
C706   C     0.22664   0.66076   0.15863   0.00000  Uiso   1.00
C707   C     0.22054   0.50292   0.25965   0.00000  Uiso   1.00
C708   C     0.21079   0.51042   0.30545   0.00000  Uiso   1.00
C711   C     0.47986   0.50393   0.02118   0.00000  Uiso   1.00
C714   C     0.03370   0.58610   0.36441   0.00000  Uiso   1.00
C717   C     0.19057   0.62307   0.47386   0.00000  Uiso   1.00
C719   C     0.21395   0.70158   0.14079   0.00000  Uiso   1.00
C720   C     0.22167   0.69758   0.18497   0.00000  Uiso   1.00
C728   C     0.20854   0.66179   0.49116   0.00000  Uiso   1.00
H458   H     0.40491   0.55872   0.00462   0.00000  Uiso   1.00
H459   H     0.44748   0.54976   0.02841   0.00000  Uiso   1.00
H464   H     0.31139   0.53283   0.03474   0.00000  Uiso   1.00
H465   H     0.35711   0.54646   0.01587   0.00000  Uiso   1.00
H471   H     0.21261   0.71373   0.12290   0.00000  Uiso   1.00
H477   H     0.28007   0.53401   0.07813   0.00000  Uiso   1.00
H479   H     0.14653   0.55279   0.42886   0.00000  Uiso   1.00
H480   H     0.16817   0.57153   0.47105   0.00000  Uiso   1.00
H481   H     0.19313   0.64124   0.42215   0.00000  Uiso   1.00
H482   H     0.17565   0.61784   0.38256   0.00000  Uiso   1.00
H483   H     0.15917   0.58378   0.32741   0.00000  Uiso   1.00
H484   H     0.18258   0.55675   0.29681   0.00000  Uiso   1.00
H485   H     0.20546   0.50020   0.35926   0.00000  Uiso   1.00
H486   H     0.17932   0.52679   0.39056   0.00000  Uiso   1.00
H487   H     0.12404   0.60613   0.34439   0.00000  Uiso   1.00
H488   H     0.07546   0.61431   0.34044   0.00000  Uiso   1.00
H489   H     0.05901   0.55433   0.40039   0.00000  Uiso   1.00
H490   H     0.10657   0.54697   0.40827   0.00000  Uiso   1.00
H492   H     0.26377   0.56183   0.11788   0.00000  Uiso   1.00
H508   H     0.19861   0.56255   0.19455   0.00000  Uiso   1.00
H510   H     0.24695   0.58009   0.19987   0.00000  Uiso   1.00
H514   H     0.00395   0.70120   0.18566   0.00000  Uiso   1.00
H518   H     0.02443   0.62975   0.30392   0.00000  Uiso   1.00
H519   H     0.00399   0.65874   0.27009   0.00000  Uiso   1.00
H526   H     0.23830   0.62993   0.19984   0.00000  Uiso   1.00
H527   H     0.21863   0.67989   0.48703   0.00000  Uiso   1.00
H528   H     0.22143   0.70521   0.20559   0.00000  Uiso   1.00
H529   H     0.19412   0.54721   0.23977   0.00000  Uiso   1.00
H530   H     0.22236   0.62744   0.11401   0.00000  Uiso   1.00
H533   H     0.22294   0.57942   0.11466   0.00000  Uiso   1.00
N223   N     0.23285   0.54492   0.15709   0.00000  Uiso   1.00
C733   C     0.25423   0.54202   0.11321   0.00000  Uiso   1.00
C734   C     0.23529   0.50459   0.18621   0.00000  Uiso   1.00
C735   C     0.21086   0.54566   0.20117   0.00000  Uiso   1.00
C736   C     0.32095   0.52211   0.01770   0.00000  Uiso   1.00
C737   C     0.44067   0.53456   0.01414   0.00000  Uiso   1.00
C740   C     0.34608   0.52898   0.00605   0.00000  Uiso   1.00
C745   C     0.26273   0.52666   0.09093   0.00000  Uiso   1.00
C753   C     0.15852   0.57044   0.42896   0.00000  Uiso   1.00
C755   C     0.41559   0.53910   0.00190   0.00000  Uiso   1.00
C757   C     0.16969   0.58206   0.45183   0.00000  Uiso   1.00
C759   C     0.24064   0.58925   0.18055   0.00000  Uiso   1.00
C760   C     0.18486   0.62113   0.42575   0.00000  Uiso   1.00
C761   C     0.23855   0.61802   0.18016   0.00000  Uiso   1.00
C762   C     0.20829   0.53607   0.22823   0.00000  Uiso   1.00
C764   C     0.17598   0.60883   0.40178   0.00000  Uiso   1.00
C768   C     0.16719   0.56481   0.33485   0.00000  Uiso   1.00
C772   C     0.18417   0.55084   0.31771   0.00000  Uiso   1.00
C775   C     0.00288   0.63118   0.30283   0.00000  Uiso   1.00
C777   C     0.19398   0.51794   0.35148   0.00000  Uiso   1.00
C781   C     0.17959   0.53343   0.37019   0.00000  Uiso   1.00
C785   C     0.11030   0.59375   0.35647   0.00000  Uiso   1.00
C786   C     0.08160   0.59930   0.35389   0.00000  Uiso   1.00
C789   C     0.23082   0.61687   0.13190   0.00000  Uiso   1.00
C790   C     0.07333   0.56540   0.38740   0.00000  Uiso   1.00
C792   C     0.22737   0.50387   0.13010   0.00000  Uiso   1.00
C793   C     0.10157   0.56255   0.39282   0.00000  Uiso   1.00
C794   C     0.22847   0.58790   0.13291   0.00000  Uiso   1.00
C795   C     0.19587   0.52600   0.32445   0.00000  Uiso   1.00
C796   C     0.25113   0.50120   0.08612   0.00000  Uiso   1.00
C800   C     0.45366   0.50943   0.00912   0.00000  Uiso   1.00
C802   C     0.23338   0.63250   0.15583   0.00000  Uiso   1.00
C803   C     0.06274   0.58341   0.36856   0.00000  Uiso   1.00
C804   C     0.18119   0.60841   0.45140   0.00000  Uiso   1.00
C805   C     0.21876   0.51026   0.23297   0.00000  Uiso   1.00
C808   C     0.22590   0.53160   0.18095   0.00000  Uiso   1.00
C809   C     0.23796   0.53029   0.13374   0.00000  Uiso   1.00
C810   C     0.23230   0.57330   0.15768   0.00000  Uiso   1.00
N225   N     0.14888   0.57165   0.38146   0.00000  Uiso   1.00
C812   C     0.16042   0.58399   0.40434   0.00000  Uiso   1.00
C820   C     0.16557   0.55711   0.36285   0.00000  Uiso   1.00
C821   C     0.12055   0.57609   0.37623   0.00000  Uiso   1.00
N263   N     0.39142   0.61747   0.09948   0.00000  Uiso   1.00
N264   N     0.35344   0.61610   0.07174   0.00000  Uiso   1.00
N265   N     0.37196   0.65751   0.08550   0.00000  Uiso   1.00
N284   N     0.45933   0.57690   0.35598   0.00000  Uiso   1.00
N285   N     0.49665   0.59028   0.38342   0.00000  Uiso   1.00
N286   N     0.47337   0.54978   0.39062   0.00000  Uiso   1.00
N287   N     0.12924   0.50713   0.31825   0.00000  Uiso   1.00
N288   N     0.10855   0.54785   0.30748   0.00000  Uiso   1.00
N289   N     0.12486   0.52043   0.27301   0.00000  Uiso   1.00
C941   C     0.37175   0.60245   0.08722   0.00000  Uiso   1.00
C954   C     0.45657   0.55538   0.37076   0.00000  Uiso   1.00
C955   C     0.13268   0.50267   0.29176   0.00000  Uiso   1.00
C963   C     0.38567   0.53222   0.11390   0.00000  Uiso   1.00
C964   C     0.38957   0.55993   0.10594   0.00000  Uiso   1.00
C965   C     0.34836   0.55880   0.08001   0.00000  Uiso   1.00
C966   C     0.34554   0.53168   0.08717   0.00000  Uiso   1.00
C992   C     0.43928   0.50934   0.38249   0.00000  Uiso   1.00
C1007  C     0.41917   0.53465   0.34423   0.00000  Uiso   1.00
C1008  C     0.40029   0.51301   0.34031   0.00000  Uiso   1.00
H615   H     0.45254   0.50661   0.39958   0.00000  Uiso   1.00
H633   H     0.40381   0.65587   0.11081   0.00000  Uiso   1.00
H637   H     0.39909   0.51998   0.12718   0.00000  Uiso   1.00
H641   H     0.41680   0.55224   0.33086   0.00000  Uiso   1.00
H643   H     0.33705   0.65229   0.05991   0.00000  Uiso   1.00
H652   H     0.40703   0.56919   0.11411   0.00000  Uiso   1.00
H661   H     0.38332   0.51684   0.32610   0.00000  Uiso   1.00
H664   H     0.33369   0.57020   0.06752   0.00000  Uiso   1.00
H678   H     0.33050   0.51986   0.07756   0.00000  Uiso   1.00
H701   H     0.48050   0.61018   0.35123   0.00000  Uiso   1.00
H704   H     0.11084   0.53203   0.34615   0.00000  Uiso   1.00
H706   H     0.10706   0.55710   0.26671   0.00000  Uiso   1.00
C1045  C     0.43755   0.53301   0.36654   0.00000  Uiso   1.00
C1049  C     0.37055   0.57395   0.09046   0.00000  Uiso   1.00
C1079  C     0.36329   0.51788   0.10558   0.00000  Uiso   1.00
C1083  C     0.39063   0.64409   0.09838   0.00000  Uiso   1.00
C1084  C     0.11698   0.52904   0.32507   0.00000  Uiso   1.00
C1086  C     0.49282   0.56708   0.39630   0.00000  Uiso   1.00
C1087  C     0.11540   0.54365   0.28153   0.00000  Uiso   1.00
C1088  C     0.35371   0.64314   0.07116   0.00000  Uiso   1.00
C1091  C     0.47939   0.59289   0.36239   0.00000  Uiso   1.00
H788   H     0.21920   0.54583   0.00677   0.00000  Uiso   1.00
N322   N     0.22556   0.50370   0.00262   0.00000  Uiso   1.00
H826   H     0.48897   0.50895   0.45939   0.00000  Uiso   1.00
N364   N     0.39289   0.65086   0.38341   0.00000  Uiso   1.00
N365   N     0.41189   0.61509   0.40612   0.00000  Uiso   1.00
N366   N     0.40920   0.65661   0.42835   0.00000  Uiso   1.00
C1332  C     0.41659   0.63094   0.42808   0.00000  Uiso   1.00
C1340  C     0.44956   0.58571   0.47944   0.00000  Uiso   1.00
C1341  C     0.43419   0.59344   0.45622   0.00000  Uiso   1.00
C1342  C     0.42998   0.63993   0.47520   0.00000  Uiso   1.00
C1343  C     0.44594   0.63104   0.49703   0.00000  Uiso   1.00
H867   H     0.42417   0.66079   0.47636   0.00000  Uiso   1.00
H902   H     0.45510   0.56452   0.48018   0.00000  Uiso   1.00
H908   H     0.39116   0.68719   0.40388   0.00000  Uiso   1.00
H910   H     0.39798   0.61080   0.36720   0.00000  Uiso   1.00
H915   H     0.43364   0.57782   0.44190   0.00000  Uiso   1.00
C1394  C     0.42676   0.62067   0.45339   0.00000  Uiso   1.00
C1406  C     0.45782   0.60473   0.49863   0.00000  Uiso   1.00
C1412  C     0.39955   0.62476   0.38402   0.00000  Uiso   1.00
C1413  C     0.39670   0.66617   0.40540   0.00000  Uiso   1.00
N392   N     0.08746   0.67057   0.16960   0.00000  Uiso   1.00
N393   N     0.06887   0.69077   0.20700   0.00000  Uiso   1.00
N394   N     0.05350   0.64779   0.19351   0.00000  Uiso   1.00
C1421  C     0.08438   0.69145   0.18520   0.00000  Uiso   1.00
C1422  C     0.05250   0.66903   0.20895   0.00000  Uiso   1.00
H948   H     0.06999   0.50843   0.09104   0.00000  Uiso   1.00
H951   H     0.11860   0.53577   0.15888   0.00000  Uiso   1.00
H952   H     0.06047   0.56246   0.06609   0.00000  Uiso   1.00
H953   H     0.07614   0.55973   0.02166   0.00000  Uiso   1.00
H954   H     0.12595   0.55632   0.01036   0.00000  Uiso   1.00
H955   H     0.15825   0.54678   0.04554   0.00000  Uiso   1.00
H956   H     0.14257   0.54431   0.09477   0.00000  Uiso   1.00
H957   H     0.05193   0.56086   0.15385   0.00000  Uiso   1.00
H958   H     0.04337   0.60290   0.17498   0.00000  Uiso   1.00
H959   H     0.10928   0.64046   0.13433   0.00000  Uiso   1.00
H960   H     0.12160   0.59745   0.11169   0.00000  Uiso   1.00
H962   H     0.09868   0.70798   0.18472   0.00000  Uiso   1.00
H964   H     0.03590   0.67053   0.22336   0.00000  Uiso   1.00
C1429  C     0.07182   0.64900   0.17393   0.00000  Uiso   1.00
C1439  C     0.09161   0.56027   0.03773   0.00000  Uiso   1.00
C1440  C     0.08245   0.56041   0.06447   0.00000  Uiso   1.00
C1441  C     0.11847   0.55489   0.03061   0.00000  Uiso   1.00
C1442  C     0.13621   0.55072   0.05239   0.00000  Uiso   1.00
C1444  C     0.12751   0.54971   0.07927   0.00000  Uiso   1.00
C1445  C     0.06565   0.57807   0.14801   0.00000  Uiso   1.00
C1447  C     0.06135   0.60225   0.16251   0.00000  Uiso   1.00
C1448  C     0.09689   0.62356   0.13789   0.00000  Uiso   1.00
C1449  C     0.10454   0.59801   0.12633   0.00000  Uiso   1.00
C1454  C     0.07995   0.50450   0.10988   0.00000  Uiso   1.00
C1480  C     0.10916   0.51980   0.14608   0.00000  Uiso   1.00
C1490  C     0.07623   0.62532   0.15786   0.00000  Uiso   1.00
N403   N     0.09145   0.55259   0.11373   0.00000  Uiso   1.00
C1501  C     0.10035   0.55412   0.08583   0.00000  Uiso   1.00
C1504  C     0.08804   0.57534   0.13056   0.00000  Uiso   1.00
C1507  C     0.09368   0.52607   0.12283   0.00000  Uiso   1.00
H1046  H     0.04834   0.97017   0.03314   0.00000  Uiso   1.00
H1047  H     0.03125   0.88833   0.03823   0.00000  Uiso   1.00
N428   N     0.04064   0.92754   0.03259   0.00000  Uiso   1.00
N430   N     0.00690   0.91295   0.06340   0.00000  Uiso   1.00
N431   N     0.01452   0.95943   0.05739   0.00000  Uiso   1.00
C1521  C     0.00078   0.93827   0.06823   0.00000  Uiso   1.00
C1535  C     0.02637   0.90890   0.04531   0.00000  Uiso   1.00
C1536  C     0.03537   0.95263   0.03927   0.00000  Uiso   1.00
N458   N     0.31779   0.52421   0.33484   0.00000  Uiso   1.00
C1621  C     0.31019   0.51169   0.35700   0.00000  Uiso   1.00
C1622  C     0.30617   0.51609   0.31128   0.00000  Uiso   1.00
C1656  C     0.35506   0.54733   0.40611   0.00000  Uiso   1.00
C1657  C     0.34452   0.53948   0.38147   0.00000  Uiso   1.00
C1658  C     0.31334   0.50763   0.40518   0.00000  Uiso   1.00
C1659  C     0.32476   0.51708   0.42991   0.00000  Uiso   1.00
C1660  C     0.38110   0.53471   0.49784   0.00000  Uiso   1.00
C1662  C     0.41933   0.50522   0.46707   0.00000  Uiso   1.00
C1663  C     0.39949   0.52068   0.45415   0.00000  Uiso   1.00
C1664  C     0.34466   0.59519   0.46182   0.00000  Uiso   1.00
C1665  C     0.33170   0.61597   0.47546   0.00000  Uiso   1.00
C1667  C     0.32271   0.56160   0.48896   0.00000  Uiso   1.00
C1685  C     0.32019   0.51803   0.23702   0.00000  Uiso   1.00
C1686  C     0.30706   0.51362   0.26252   0.00000  Uiso   1.00
C1687  C     0.33747   0.54590   0.28533   0.00000  Uiso   1.00
C1688  C     0.34877   0.55074   0.25990   0.00000  Uiso   1.00
C1689  C     0.39269   0.54912   0.18362   0.00000  Uiso   1.00
C1690  C     0.41945   0.53949   0.17663   0.00000  Uiso   1.00
C1691  C     0.43204   0.51849   0.19211   0.00000  Uiso   1.00
C1692  C     0.41818   0.50743   0.21452   0.00000  Uiso   1.00
C1693  C     0.39249   0.51768   0.22074   0.00000  Uiso   1.00
C1694  C     0.32864   0.54914   0.16582   0.00000  Uiso   1.00
C1695  C     0.31555   0.56506   0.14686   0.00000  Uiso   1.00
C1696  C     0.30806   0.59191   0.15143   0.00000  Uiso   1.00
C1697  C     0.31255   0.60263   0.17695   0.00000  Uiso   1.00
C1698  C     0.32795   0.58790   0.19647   0.00000  Uiso   1.00
H1049  H     0.36962   0.56321   0.40910   0.00000  Uiso   1.00
H1050  H     0.35392   0.54362   0.36323   0.00000  Uiso   1.00
H1053  H     0.31462   0.50879   0.44740   0.00000  Uiso   1.00
H1060  H     0.39654   0.51883   0.43245   0.00000  Uiso   1.00
H1061  H     0.36073   0.60047   0.44671   0.00000  Uiso   1.00
H1063  H     0.33462   0.63570   0.46652   0.00000  Uiso   1.00
H1067  H     0.32026   0.54051   0.49548   0.00000  Uiso   1.00
H1100  H     0.31339   0.50852   0.21922   0.00000  Uiso   1.00
H1104  H     0.34364   0.55762   0.30427   0.00000  Uiso   1.00
H1106  H     0.36767   0.56266   0.25656   0.00000  Uiso   1.00
H1107  H     0.38250   0.56584   0.17293   0.00000  Uiso   1.00
H1108  H     0.43020   0.54877   0.15995   0.00000  Uiso   1.00
H1110  H     0.45348   0.51302   0.18912   0.00000  Uiso   1.00
H1114  H     0.38072   0.50627   0.23521   0.00000  Uiso   1.00
H1115  H     0.33217   0.52732   0.16167   0.00000  Uiso   1.00
H1117  H     0.30899   0.55624   0.12778   0.00000  Uiso   1.00
H1119  H     0.30142   0.60463   0.13601   0.00000  Uiso   1.00
H1121  H     0.30874   0.62399   0.17926   0.00000  Uiso   1.00
H1123  H     0.33225   0.59828   0.21507   0.00000  Uiso   1.00
C1719  C     0.31339   0.60986   0.49718   0.00000  Uiso   1.00
C1724  C     0.41875   0.50280   0.49601   0.00000  Uiso   1.00
C1725  C     0.31708   0.52529   0.28674   0.00000  Uiso   1.00
C1727  C     0.32263   0.52020   0.38070   0.00000  Uiso   1.00
N466   N     0.35084   0.54633   0.21179   0.00000  Uiso   1.00
N469   N     0.35652   0.54625   0.45605   0.00000  Uiso   1.00
C1732  C     0.34541   0.53601   0.43060   0.00000  Uiso   1.00
C1738  C     0.33596   0.55986   0.19167   0.00000  Uiso   1.00
C1740  C     0.34067   0.56802   0.46855   0.00000  Uiso   1.00
C1741  C     0.37877   0.53821   0.20521   0.00000  Uiso   1.00
C1742  C     0.34013   0.53735   0.23656   0.00000  Uiso   1.00
C1748  C     0.37958   0.53508   0.46919   0.00000  Uiso   1.00
N28    N     0.94200   0.83250   0.22131   0.00000  Uiso   1.00
N29    N     0.89689   0.83260   0.20735   0.00000  Uiso   1.00
N30    N     0.91721   0.87231   0.22084   0.00000  Uiso   1.00
C15    C     0.89458   0.85841   0.21393   0.00000  Uiso   1.00
N35    N     0.78812   0.90583   0.21513   0.00000  Uiso   1.00
C39    C     0.76140   0.94804   0.21820   0.00000  Uiso   1.00
C40    C     0.75252   0.97426   0.20773   0.00000  Uiso   1.00
C41    C     0.79473   0.97368   0.18273   0.00000  Uiso   1.00
C42    C     0.80228   0.94725   0.19169   0.00000  Uiso   1.00
C43    C     0.81839   0.86702   0.20768   0.00000  Uiso   1.00
C44    C     0.84486   0.85723   0.20671   0.00000  Uiso   1.00
C45    C     0.86488   0.89948   0.21899   0.00000  Uiso   1.00
C46    C     0.83860   0.91096   0.21934   0.00000  Uiso   1.00
C47    C     0.76719   0.86479   0.23393   0.00000  Uiso   1.00
C48    C     0.74499   0.84698   0.23298   0.00000  Uiso   1.00
C49    C     0.72071   0.85361   0.22035   0.00000  Uiso   1.00
C50    C     0.71763   0.87821   0.20761   0.00000  Uiso   1.00
C51    C     0.74036   0.89558   0.20827   0.00000  Uiso   1.00
H2     H     0.80331   0.85275   0.20116   0.00000  Uiso   1.00
H3     H     0.84858   0.83501   0.20504   0.00000  Uiso   1.00
H5     H     0.88120   0.91280   0.22333   0.00000  Uiso   1.00
H7     H     0.83716   0.93220   0.22458   0.00000  Uiso   1.00
H8     H     0.78410   0.85788   0.24699   0.00000  Uiso   1.00
H10    H     0.74467   0.82719   0.24269   0.00000  Uiso   1.00
H11    H     0.70497   0.83878   0.22407   0.00000  Uiso   1.00
H12    H     0.69854   0.88205   0.19770   0.00000  Uiso   1.00
H14    H     0.73735   0.91394   0.19525   0.00000  Uiso   1.00
H61    H     0.95739   0.87068   0.22902   0.00000  Uiso   1.00
H62    H     0.92262   0.79864   0.20790   0.00000  Uiso   1.00
H75    H     0.74728   0.94059   0.23236   0.00000  Uiso   1.00
H79    H     0.73540   0.98418   0.21616   0.00000  Uiso   1.00
H84    H     0.80668   0.98301   0.16771   0.00000  Uiso   1.00
H90    H     0.82050   0.93855   0.18299   0.00000  Uiso   1.00
C93    C     0.86770   0.87198   0.21325   0.00000  Uiso   1.00
C100   C     0.76946   0.98624   0.18892   0.00000  Uiso   1.00
C109   C     0.81451   0.89463   0.21459   0.00000  Uiso   1.00
C110   C     0.76573   0.88911   0.21955   0.00000  Uiso   1.00
C112   C     0.78462   0.93468   0.21009   0.00000  Uiso   1.00
C131   C     0.93996   0.85886   0.22386   0.00000  Uiso   1.00
C139   C     0.92048   0.82006   0.21024   0.00000  Uiso   1.00
N69    N     0.89060   0.88976   0.28058   0.00000  Uiso   1.00
N70    N     0.89543   0.84225   0.28175   0.00000  Uiso   1.00
N71    N     0.85226   0.86418   0.28593   0.00000  Uiso   1.00
N73    N     0.65920   0.99045   0.35923   0.00000  Uiso   1.00
N74    N     0.70220   0.97278   0.34946   0.00000  Uiso   1.00
N84    N     0.77848   0.69733   0.41691   0.00000  Uiso   1.00
N85    N     0.79248   0.66996   0.45292   0.00000  Uiso   1.00
N86    N     0.82065   0.67775   0.41420   0.00000  Uiso   1.00
N87    N     0.77010   0.65221   0.21880   0.00000  Uiso   1.00
N88    N     0.78014   0.61550   0.18900   0.00000  Uiso   1.00
N89    N     0.81409   0.64476   0.20426   0.00000  Uiso   1.00
N96    N     0.65001   0.77539   0.43378   0.00000  Uiso   1.00
N97    N     0.61641   0.75055   0.41185   0.00000  Uiso   1.00
N98    N     0.61464   0.79657   0.41094   0.00000  Uiso   1.00
C256   C     0.90536   0.86714   0.28033   0.00000  Uiso   1.00
C262   C     0.77346   0.68424   0.44008   0.00000  Uiso   1.00
C263   C     0.81555   0.66760   0.43900   0.00000  Uiso   1.00
C264   C     0.76307   0.62976   0.20429   0.00000  Uiso   1.00
C265   C     0.80551   0.62377   0.18917   0.00000  Uiso   1.00
C270   C     0.63866   0.75188   0.42671   0.00000  Uiso   1.00
C271   C     0.60355   0.77234   0.40496   0.00000  Uiso   1.00
H181   H     0.85837   0.97676   0.26385   0.00000  Uiso   1.00
H183   H     0.88151   0.93894   0.27503   0.00000  Uiso   1.00
H187   H     0.80673   0.89215   0.28381   0.00000  Uiso   1.00
H188   H     0.77516   0.74894   0.33524   0.00000  Uiso   1.00
H189   H     0.77090   0.72684   0.37969   0.00000  Uiso   1.00
H190   H     0.84335   0.67949   0.36742   0.00000  Uiso   1.00
H191   H     0.84558   0.70004   0.31980   0.00000  Uiso   1.00
H192   H     0.76951   0.72087   0.28309   0.00000  Uiso   1.00
H193   H     0.75961   0.68851   0.24739   0.00000  Uiso   1.00
H194   H     0.84514   0.68383   0.22670   0.00000  Uiso   1.00
H195   H     0.85369   0.71534   0.26392   0.00000  Uiso   1.00
H196   H     0.79371   0.78853   0.29498   0.00000  Uiso   1.00
H197   H     0.81517   0.83096   0.29358   0.00000  Uiso   1.00
H198   H     0.89302   0.79153   0.28376   0.00000  Uiso   1.00
H199   H     0.86980   0.74621   0.29384   0.00000  Uiso   1.00
H200   H     0.83519   0.98031   0.22428   0.00000  Uiso   1.00
H201   H     0.75357   0.68678   0.45086   0.00000  Uiso   1.00
H202   H     0.78088   0.93627   0.28222   0.00000  Uiso   1.00
H203   H     0.83051   0.65447   0.44716   0.00000  Uiso   1.00
H204   H     0.74156   0.62282   0.20653   0.00000  Uiso   1.00
H206   H     0.81968   0.61296   0.17691   0.00000  Uiso   1.00
H219   H     0.63301   0.90124   0.49105   0.00000  Uiso   1.00
H223   H     0.71849   0.91377   0.48323   0.00000  Uiso   1.00
H224   H     0.70919   0.90683   0.41745   0.00000  Uiso   1.00
H225   H     0.71858   0.94158   0.38424   0.00000  Uiso   1.00
H226   H     0.64316   0.97932   0.40670   0.00000  Uiso   1.00
H227   H     0.63547   0.94906   0.44162   0.00000  Uiso   1.00
H228   H     0.63089   0.89347   0.42984   0.00000  Uiso   1.00
H229   H     0.61414   0.84867   0.41379   0.00000  Uiso   1.00
H230   H     0.68215   0.81025   0.45132   0.00000  Uiso   1.00
H231   H     0.69841   0.85718   0.46685   0.00000  Uiso   1.00
H236   H     0.74978   0.96152   0.33948   0.00000  Uiso   1.00
H237   H     0.92727   0.86909   0.28070   0.00000  Uiso   1.00
H239   H     0.79136   0.96412   0.31935   0.00000  Uiso   1.00
H240   H     0.65164   0.73431   0.42924   0.00000  Uiso   1.00
H242   H     0.58389   0.77364   0.39464   0.00000  Uiso   1.00
C272   C     0.80153   0.69157   0.40362   0.00000  Uiso   1.00
C275   C     0.79610   0.65913   0.21860   0.00000  Uiso   1.00
C279   C     0.86854   0.84189   0.28508   0.00000  Uiso   1.00
C281   C     0.68070   0.97636   0.36627   0.00000  Uiso   1.00
C283   C     0.70352   0.98676   0.32609   0.00000  Uiso   1.00
C284   C     0.86405   0.88746   0.28331   0.00000  Uiso   1.00
C285   C     0.63739   0.79882   0.42568   0.00000  Uiso   1.00
N99    N     0.80263   0.98418   0.26950   0.00000  Uiso   1.00
C289   C     0.87159   0.78995   0.28821   0.00000  Uiso   1.00
C291   C     0.85918   0.76498   0.29209   0.00000  Uiso   1.00
C293   C     0.86047   0.93620   0.27398   0.00000  Uiso   1.00
C302   C     0.80361   0.93436   0.27794   0.00000  Uiso   1.00
C304   C     0.81876   0.91104   0.28234   0.00000  Uiso   1.00
C314   C     0.79081   0.73340   0.34088   0.00000  Uiso   1.00
C317   C     0.78885   0.72175   0.36711   0.00000  Uiso   1.00
C318   C     0.70008   0.91100   0.49532   0.00000  Uiso   1.00
C320   C     0.69571   0.92373   0.41632   0.00000  Uiso   1.00
C321   C     0.70089   0.94364   0.39715   0.00000  Uiso   1.00
C322   C     0.82892   0.69515   0.36085   0.00000  Uiso   1.00
C323   C     0.65926   0.96522   0.40978   0.00000  Uiso   1.00
C324   C     0.65373   0.94587   0.42916   0.00000  Uiso   1.00
C325   C     0.83095   0.70577   0.33490   0.00000  Uiso   1.00
C326   C     0.64225   0.87404   0.43161   0.00000  Uiso   1.00
C328   C     0.63286   0.84915   0.42347   0.00000  Uiso   1.00
C329   C     0.67264   0.82835   0.44571   0.00000  Uiso   1.00
C330   C     0.78505   0.71265   0.26927   0.00000  Uiso   1.00
C331   C     0.68107   0.85395   0.45378   0.00000  Uiso   1.00
C333   C     0.77996   0.69562   0.24682   0.00000  Uiso   1.00
C336   C     0.74975   0.97243   0.32144   0.00000  Uiso   1.00
C337   C     0.84607   0.95956   0.26809   0.00000  Uiso   1.00
C338   C     0.82847   0.69334   0.23713   0.00000  Uiso   1.00
C340   C     0.77396   0.97225   0.30828   0.00000  Uiso   1.00
C341   C     0.83284   0.71095   0.25858   0.00000  Uiso   1.00
C343   C     0.81532   0.78780   0.29154   0.00000  Uiso   1.00
C346   C     0.82821   0.81277   0.29107   0.00000  Uiso   1.00
C348   C     0.64784   0.82509   0.43150   0.00000  Uiso   1.00
C350   C     0.84758   0.91176   0.28088   0.00000  Uiso   1.00
C353   C     0.80187   0.68285   0.23333   0.00000  Uiso   1.00
C354   C     0.72772   0.98717   0.31143   0.00000  Uiso   1.00
C355   C     0.80635   0.70247   0.37697   0.00000  Uiso   1.00
C356   C     0.68112   0.96315   0.39191   0.00000  Uiso   1.00
C360   C     0.85668   0.81503   0.28781   0.00000  Uiso   1.00
C362   C     0.77714   0.98729   0.28371   0.00000  Uiso   1.00
C363   C     0.81772   0.95914   0.27198   0.00000  Uiso   1.00
N102   N     0.67108   0.90407   0.45530   0.00000  Uiso   1.00
N103   N     0.81644   0.73788   0.29836   0.00000  Uiso   1.00
C366   C     0.81174   0.72006   0.27482   0.00000  Uiso   1.00
C369   C     0.66517   0.87637   0.44738   0.00000  Uiso   1.00
C370   C     0.67442   0.90974   0.48292   0.00000  Uiso   1.00
C371   C     0.81373   0.72720   0.32510   0.00000  Uiso   1.00
C372   C     0.67224   0.92386   0.43361   0.00000  Uiso   1.00
C373   C     0.83038   0.76317   0.29348   0.00000  Uiso   1.00
H380   H     0.97841   0.57799   0.18236   0.00000  Uiso   1.00
H382   H     0.99656   0.54310   0.27542   0.00000  Uiso   1.00
H403   H     0.94269   0.57469   0.10591   0.00000  Uiso   1.00
N152   N     0.97658   0.51158   0.12903   0.00000  Uiso   1.00
N153   N     0.96217   0.55672   0.13577   0.00000  Uiso   1.00
N154   N     0.95404   0.53487   0.09582   0.00000  Uiso   1.00
C496   C     0.95249   0.55544   0.11169   0.00000  Uiso   1.00
C497   C     0.96584   0.51246   0.10530   0.00000  Uiso   1.00
C514   C     0.97541   0.53381   0.14415   0.00000  Uiso   1.00
C536   C     0.98923   0.55721   0.18585   0.00000  Uiso   1.00
C606   C     0.98937   0.53386   0.16982   0.00000  Uiso   1.00
N190   N     0.77468   0.50776   0.45953   0.00000  Uiso   1.00
N192   N     0.73028   0.50633   0.47422   0.00000  Uiso   1.00
H437   H     0.68532   0.50324   0.49247   0.00000  Uiso   1.00
H453   H     0.74279   0.53473   0.44654   0.00000  Uiso   1.00
C699   C     0.74950   0.51761   0.45838   0.00000  Uiso   1.00
N213   N     0.98220   0.58261   0.35497   0.00000  Uiso   1.00
C715   C     0.99727   0.59943   0.34161   0.00000  Uiso   1.00
C722   C     0.51463   0.51860   0.04634   0.00000  Uiso   1.00
C725   C     0.99235   0.56794   0.37546   0.00000  Uiso   1.00
H472   H     0.52654   0.53269   0.05761   0.00000  Uiso   1.00
H491   H     0.98243   0.55089   0.38397   0.00000  Uiso   1.00
H511   H     0.94678   0.70771   0.27023   0.00000  Uiso   1.00
H512   H     0.96736   0.75143   0.24709   0.00000  Uiso   1.00
H513   H     0.99451   0.74698   0.20833   0.00000  Uiso   1.00
H515   H     0.98265   0.65827   0.20913   0.00000  Uiso   1.00
H516   H     0.92488   0.63262   0.29211   0.00000  Uiso   1.00
H517   H     0.94332   0.60699   0.33018   0.00000  Uiso   1.00
H520   H     0.89990   0.67088   0.24094   0.00000  Uiso   1.00
H521   H     0.86726   0.64767   0.20740   0.00000  Uiso   1.00
H522   H     0.87912   0.59888   0.19229   0.00000  Uiso   1.00
H523   H     0.92507   0.58232   0.19847   0.00000  Uiso   1.00
H524   H     0.95657   0.60636   0.22713   0.00000  Uiso   1.00
C763   C     0.95992   0.70616   0.25133   0.00000  Uiso   1.00
C765   C     0.97142   0.73042   0.23912   0.00000  Uiso   1.00
C766   C     0.98837   0.72774   0.21624   0.00000  Uiso   1.00
C767   C     0.99242   0.70215   0.20481   0.00000  Uiso   1.00
C769   C     0.97979   0.67920   0.21646   0.00000  Uiso   1.00
C771   C     0.94703   0.62939   0.29350   0.00000  Uiso   1.00
C773   C     0.95889   0.61719   0.31611   0.00000  Uiso   1.00
C776   C     0.99138   0.64378   0.28092   0.00000  Uiso   1.00
C778   C     0.90486   0.65165   0.23192   0.00000  Uiso   1.00
C780   C     0.88511   0.63750   0.21602   0.00000  Uiso   1.00
C782   C     0.89281   0.61121   0.20425   0.00000  Uiso   1.00
C783   C     0.91935   0.60071   0.20720   0.00000  Uiso   1.00
C784   C     0.93810   0.61679   0.22155   0.00000  Uiso   1.00
C806   C     0.98695   0.61789   0.32102   0.00000  Uiso   1.00
N226   N     0.95242   0.65529   0.25157   0.00000  Uiso   1.00
C813   C     0.96410   0.67990   0.24009   0.00000  Uiso   1.00
C815   C     0.96344   0.64411   0.27634   0.00000  Uiso   1.00
C819   C     0.93210   0.64193   0.23473   0.00000  Uiso   1.00
H703   H     0.50502   0.56334   0.41386   0.00000  Uiso   1.00
N330   N     0.73029   0.58054   0.48852   0.00000  Uiso   1.00
N331   N     0.68922   0.57848   0.46880   0.00000  Uiso   1.00
N338   N     0.84923   0.52812   0.34902   0.00000  Uiso   1.00
N339   N     0.89715   0.52566   0.35733   0.00000  Uiso   1.00
N340   N     0.87533   0.56752   0.35316   0.00000  Uiso   1.00
N341   N     0.71383   0.71599   0.29072   0.00000  Uiso   1.00
N342   N     0.70076   0.67926   0.26697   0.00000  Uiso   1.00
N343   N     0.68799   0.72164   0.25223   0.00000  Uiso   1.00
N344   N     0.59101   0.89418   0.24154   0.00000  Uiso   1.00
N345   N     0.62031   0.93114   0.23372   0.00000  Uiso   1.00
N346   N     0.57526   0.93313   0.22042   0.00000  Uiso   1.00
N350   N     0.83040   0.91030   0.37222   0.00000  Uiso   1.00
N351   N     0.80657   0.87579   0.35116   0.00000  Uiso   1.00
N352   N     0.78432   0.91676   0.36357   0.00000  Uiso   1.00
C1213  C     0.71489   0.58523   0.46773   0.00000  Uiso   1.00
C1216  C     0.68005   0.56512   0.48984   0.00000  Uiso   1.00
C1219  C     0.85129   0.55518   0.34959   0.00000  Uiso   1.00
C1220  C     0.71364   0.68947   0.28814   0.00000  Uiso   1.00
C1221  C     0.70162   0.73162   0.27288   0.00000  Uiso   1.00
C1222  C     0.61514   0.90730   0.24406   0.00000  Uiso   1.00
C1224  C     0.78460   0.89198   0.35153   0.00000  Uiso   1.00
N353   N     0.56995   0.52762   0.49927   0.00000  Uiso   1.00
N354   N     0.69726   0.84445   0.29382   0.00000  Uiso   1.00
C1225  C     0.77917   0.57521   0.35195   0.00000  Uiso   1.00
C1226  C     0.80184   0.55904   0.34664   0.00000  Uiso   1.00
C1227  C     0.82940   0.59939   0.35476   0.00000  Uiso   1.00
C1228  C     0.80563   0.61537   0.35845   0.00000  Uiso   1.00
C1229  C     0.71696   0.61226   0.39675   0.00000  Uiso   1.00
C1230  C     0.70697   0.60566   0.42330   0.00000  Uiso   1.00
C1231  C     0.75180   0.60325   0.44147   0.00000  Uiso   1.00
C1232  C     0.76159   0.61174   0.41602   0.00000  Uiso   1.00
C1233  C     0.74862   0.66415   0.34857   0.00000  Uiso   1.00
C1234  C     0.73971   0.68229   0.32823   0.00000  Uiso   1.00
C1235  C     0.72455   0.64329   0.30472   0.00000  Uiso   1.00
C1236  C     0.73324   0.62524   0.32509   0.00000  Uiso   1.00
C1252  C     0.56726   0.52003   0.44980   0.00000  Uiso   1.00
C1266  C     0.55214   0.50710   0.43075   0.00000  Uiso   1.00
C1268  C     0.51046   0.51291   0.45658   0.00000  Uiso   1.00
C1269  C     0.52589   0.52392   0.47812   0.00000  Uiso   1.00
C1270  C     0.68476   0.88725   0.26945   0.00000  Uiso   1.00
C1271  C     0.66360   0.90266   0.25880   0.00000  Uiso   1.00
C1272  C     0.63076   0.86673   0.26664   0.00000  Uiso   1.00
C1273  C     0.65130   0.84974   0.27499   0.00000  Uiso   1.00
C1274  C     0.71092   0.79980   0.30704   0.00000  Uiso   1.00
C1275  C     0.71359   0.77130   0.30081   0.00000  Uiso   1.00
C1276  C     0.68488   0.77674   0.26326   0.00000  Uiso   1.00
C1277  C     0.68345   0.80550   0.26709   0.00000  Uiso   1.00
C1278  C     0.74504   0.84459   0.30673   0.00000  Uiso   1.00
C1279  C     0.76543   0.85734   0.32163   0.00000  Uiso   1.00
C1280  C     0.73940   0.89916   0.32919   0.00000  Uiso   1.00
C1281  C     0.71864   0.88704   0.31393   0.00000  Uiso   1.00
C1282  C     0.63246   0.56418   0.47335   0.00000  Uiso   1.00
C1286  C     0.60499   0.55443   0.47494   0.00000  Uiso   1.00
H793   H     0.59126   0.56099   0.46011   0.00000  Uiso   1.00
H795   H     0.71411   0.63247   0.28888   0.00000  Uiso   1.00
H797   H     0.58972   0.51787   0.44778   0.00000  Uiso   1.00
H798   H     0.79815   0.53717   0.34631   0.00000  Uiso   1.00
H800   H     0.72725   0.60410   0.32546   0.00000  Uiso   1.00
H804   H     0.70457   0.61739   0.38030   0.00000  Uiso   1.00
H811   H     0.68535   0.60257   0.42523   0.00000  Uiso   1.00
H818   H     0.76048   0.56511   0.34996   0.00000  Uiso   1.00
H822   H     0.56256   0.50127   0.41199   0.00000  Uiso   1.00
H823   H     0.91423   0.56403   0.36379   0.00000  Uiso   1.00
H824   H     0.76515   0.60256   0.45904   0.00000  Uiso   1.00
H827   H     0.67403   0.68728   0.23455   0.00000  Uiso   1.00
H829   H     0.85043   0.60586   0.35667   0.00000  Uiso   1.00
H830   H     0.70319   0.89728   0.27107   0.00000  Uiso   1.00
H832   H     0.66816   0.92144   0.24893   0.00000  Uiso   1.00
H833   H     0.61139   0.85540   0.26720   0.00000  Uiso   1.00
H834   H     0.78371   0.61689   0.41553   0.00000  Uiso   1.00
H835   H     0.64598   0.83149   0.28599   0.00000  Uiso   1.00
H837   H     0.71990   0.80708   0.32579   0.00000  Uiso   1.00
H838   H     0.72348   0.75985   0.31815   0.00000  Uiso   1.00
H840   H     0.67473   0.76827   0.24443   0.00000  Uiso   1.00
H841   H     0.67392   0.81648   0.25096   0.00000  Uiso   1.00
H842   H     0.74792   0.82815   0.29460   0.00000  Uiso   1.00
H844   H     0.78452   0.84692   0.32283   0.00000  Uiso   1.00
H845   H     0.75893   0.67366   0.36477   0.00000  Uiso   1.00
H846   H     0.73486   0.91817   0.34095   0.00000  Uiso   1.00
H848   H     0.69966   0.89746   0.31544   0.00000  Uiso   1.00
H849   H     0.54912   0.90016   0.23316   0.00000  Uiso   1.00
H850   H     0.51361   0.53128   0.49655   0.00000  Uiso   1.00
H851   H     0.60160   0.96402   0.21409   0.00000  Uiso   1.00
H852   H     0.80764   0.63499   0.36706   0.00000  Uiso   1.00
H858   H     0.63902   0.57489   0.45536   0.00000  Uiso   1.00
H859   H     0.80799   0.94400   0.38410   0.00000  Uiso   1.00
H860   H     0.74071   0.70377   0.33136   0.00000  Uiso   1.00
H861   H     0.84725   0.87281   0.36151   0.00000  Uiso   1.00
C1288  C     0.70131   0.75929   0.27822   0.00000  Uiso   1.00
C1289  C     0.52462   0.50315   0.43424   0.00000  Uiso   1.00
C1290  C     0.76245   0.88221   0.33543   0.00000  Uiso   1.00
C1291  C     0.72420   0.59807   0.44489   0.00000  Uiso   1.00
C1292  C     0.65220   0.55682   0.49177   0.00000  Uiso   1.00
C1295  C     0.63645   0.89286   0.25717   0.00000  Uiso   1.00
C1297  C     0.82796   0.57028   0.34967   0.00000  Uiso   1.00
C1298  C     0.72628   0.67175   0.30663   0.00000  Uiso   1.00
C1300  C     0.72032   0.85886   0.30395   0.00000  Uiso   1.00
C1301  C     0.55478   0.52662   0.47604   0.00000  Uiso   1.00
C1302  C     0.59720   0.53749   0.49621   0.00000  Uiso   1.00
C1304  C     0.69646   0.81742   0.29081   0.00000  Uiso   1.00
C1305  C     0.67797   0.86084   0.27867   0.00000  Uiso   1.00
N357   N     0.75736   0.61747   0.36841   0.00000  Uiso   1.00
C1308  C     0.78055   0.60300   0.35882   0.00000  Uiso   1.00
C1310  C     0.74642   0.63614   0.34834   0.00000  Uiso   1.00
C1313  C     0.74491   0.61536   0.39451   0.00000  Uiso   1.00
C1317  C     0.60036   0.94359   0.22203   0.00000  Uiso   1.00
C1318  C     0.57071   0.90840   0.22972   0.00000  Uiso   1.00
C1319  C     0.89698   0.55218   0.35571   0.00000  Uiso   1.00
C1321  C     0.82920   0.88577   0.36236   0.00000  Uiso   1.00
C1322  C     0.68960   0.69544   0.24791   0.00000  Uiso   1.00
C1324  C     0.87235   0.51419   0.35075   0.00000  Uiso   1.00
C1326  C     0.80681   0.92252   0.37644   0.00000  Uiso   1.00
N358   N     0.59673   0.62856   0.48432   0.00000  Uiso   1.00
N361   N     0.70755   0.83535   0.37690   0.00000  Uiso   1.00
N362   N     0.67611   0.80279   0.36466   0.00000  Uiso   1.00
N363   N     0.71928   0.79006   0.37613   0.00000  Uiso   1.00
C1328  C     0.68353   0.82813   0.36867   0.00000  Uiso   1.00
C1330  C     0.69417   0.78348   0.36877   0.00000  Uiso   1.00
C1331  C     0.62264   0.63427   0.48206   0.00000  Uiso   1.00
C1348  C     0.51552   0.60789   0.49016   0.00000  Uiso   1.00
C1349  C     0.54270   0.61178   0.48611   0.00000  Uiso   1.00
C1352  C     0.62185   0.65674   0.40990   0.00000  Uiso   1.00
C1353  C     0.61243   0.64998   0.43588   0.00000  Uiso   1.00
C1354  C     0.65920   0.64796   0.45086   0.00000  Uiso   1.00
C1355  C     0.66769   0.66133   0.42589   0.00000  Uiso   1.00
C1356  C     0.65658   0.66777   0.32914   0.00000  Uiso   1.00
C1357  C     0.65636   0.65040   0.30651   0.00000  Uiso   1.00
C1358  C     0.65718   0.62171   0.31130   0.00000  Uiso   1.00
C1359  C     0.65640   0.61125   0.33737   0.00000  Uiso   1.00
C1360  C     0.65704   0.62987   0.36018   0.00000  Uiso   1.00
C1361  C     0.64997   0.72474   0.36594   0.00000  Uiso   1.00
C1362  C     0.66042   0.75032   0.36262   0.00000  Uiso   1.00
C1363  C     0.70391   0.73547   0.37606   0.00000  Uiso   1.00
C1364  C     0.69410   0.70970   0.38102   0.00000  Uiso   1.00
C1367  C     0.59127   0.93980   0.39172   0.00000  Uiso   1.00
C1368  C     0.57688   0.94387   0.41575   0.00000  Uiso   1.00
C1369  C     0.56295   0.92280   0.42818   0.00000  Uiso   1.00
C1370  C     0.55948   0.89824   0.41536   0.00000  Uiso   1.00
C1371  C     0.57316   0.89437   0.38968   0.00000  Uiso   1.00
C1372  C     0.64966   0.89426   0.36288   0.00000  Uiso   1.00
C1373  C     0.67044   0.87508   0.36692   0.00000  Uiso   1.00
C1374  C     0.63829   0.84128   0.35309   0.00000  Uiso   1.00
C1375  C     0.61710   0.86125   0.35015   0.00000  Uiso   1.00
C1376  C     0.61568   0.94000   0.31735   0.00000  Uiso   1.00
C1377  C     0.60862   0.95524   0.29502   0.00000  Uiso   1.00
C1378  C     0.58222   0.95720   0.28416   0.00000  Uiso   1.00
C1379  C     0.56295   0.94118   0.29664   0.00000  Uiso   1.00
C1380  C     0.56873   0.92602   0.31939   0.00000  Uiso   1.00
H864   H     0.67443   0.64105   0.46386   0.00000  Uiso   1.00
H866   H     0.68864   0.66558   0.42186   0.00000  Uiso   1.00
H868   H     0.65306   0.68933   0.32290   0.00000  Uiso   1.00
H869   H     0.65225   0.65790   0.28562   0.00000  Uiso   1.00
H871   H     0.65574   0.61013   0.29182   0.00000  Uiso   1.00
H872   H     0.65670   0.59036   0.34045   0.00000  Uiso   1.00
H873   H     0.65953   0.62167   0.38012   0.00000  Uiso   1.00
H875   H     0.62818   0.72032   0.36693   0.00000  Uiso   1.00
H877   H     0.64708   0.76533   0.35499   0.00000  Uiso   1.00
H879   H     0.72570   0.74048   0.37971   0.00000  Uiso   1.00
H880   H     0.70881   0.69483   0.38854   0.00000  Uiso   1.00
H881   H     0.74519   0.82103   0.38612   0.00000  Uiso   1.00
H887   H     0.60270   0.95687   0.38164   0.00000  Uiso   1.00
H889   H     0.57564   0.96448   0.42450   0.00000  Uiso   1.00
H890   H     0.55191   0.92469   0.44802   0.00000  Uiso   1.00
H891   H     0.54788   0.88011   0.42473   0.00000  Uiso   1.00
H892   H     0.50083   0.61333   0.47449   0.00000  Uiso   1.00
H893   H     0.57423   0.87497   0.37994   0.00000  Uiso   1.00
H894   H     0.65208   0.91583   0.37014   0.00000  Uiso   1.00
H895   H     0.54774   0.62118   0.46652   0.00000  Uiso   1.00
H896   H     0.69056   0.88005   0.37400   0.00000  Uiso   1.00
H897   H     0.63456   0.82177   0.34425   0.00000  Uiso   1.00
H899   H     0.59831   0.85428   0.34083   0.00000  Uiso   1.00
H901   H     0.63781   0.93827   0.32706   0.00000  Uiso   1.00
H903   H     0.62466   0.96781   0.28453   0.00000  Uiso   1.00
H905   H     0.57597   0.97146   0.26813   0.00000  Uiso   1.00
H906   H     0.54231   0.94403   0.29019   0.00000  Uiso   1.00
H907   H     0.55426   0.91286   0.32763   0.00000  Uiso   1.00
H911   H     0.60846   0.66032   0.39377   0.00000  Uiso   1.00
H918   H     0.59099   0.64628   0.43877   0.00000  Uiso   1.00
C1387  C     0.68698   0.75644   0.36813   0.00000  Uiso   1.00
C1388  C     0.66423   0.84786   0.36120   0.00000  Uiso   1.00
C1393  C     0.63136   0.64451   0.45653   0.00000  Uiso   1.00
N374   N     0.65791   0.67631   0.38025   0.00000  Uiso   1.00
N376   N     0.60182   0.90977   0.35358   0.00000  Uiso   1.00
C1399  C     0.58961   0.91466   0.37946   0.00000  Uiso   1.00
C1400  C     0.66635   0.70344   0.37630   0.00000  Uiso   1.00
C1401  C     0.62338   0.88945   0.35456   0.00000  Uiso   1.00
C1402  C     0.59595   0.92347   0.32913   0.00000  Uiso   1.00
C1403  C     0.65753   0.65758   0.35661   0.00000  Uiso   1.00
C1405  C     0.64928   0.66568   0.40548   0.00000  Uiso   1.00
C1411  C     0.72485   0.81568   0.38074   0.00000  Uiso   1.00
N389   N     0.90703   0.59749   0.03286   0.00000  Uiso   1.00
N391   N     0.89139   0.55265   0.02814   0.00000  Uiso   1.00
C1419  C     0.92113   0.59376   0.01084   0.00000  Uiso   1.00
C1420  C     0.89284   0.57643   0.04130   0.00000  Uiso   1.00
H930   H     0.88023   0.50537   0.02175   0.00000  Uiso   1.00
H944   H     0.88262   0.57677   0.06162   0.00000  Uiso   1.00
H946   H     0.93195   0.61057   0.00078   0.00000  Uiso   1.00
C1436  C     0.90738   0.54900   0.00691   0.00000  Uiso   1.00
C1466  C     0.89423   0.50255   0.00418   0.00000  Uiso   1.00
H985   H     0.56797   0.82961   0.18774   0.00000  Uiso   1.00
H986   H     0.54539   0.85129   0.10976   0.00000  Uiso   1.00
H989   H     0.75442   0.95785   0.12723   0.00000  Uiso   1.00
H990   H     0.71573   0.94425   0.15478   0.00000  Uiso   1.00
H994   H     0.69144   0.98558   0.19496   0.00000  Uiso   1.00
H995   H     0.65938   0.92941   0.18937   0.00000  Uiso   1.00
H996   H     0.63238   0.89127   0.18785   0.00000  Uiso   1.00
H997   H     0.60075   0.91139   0.10983   0.00000  Uiso   1.00
H998   H     0.62830   0.95573   0.10998   0.00000  Uiso   1.00
H1030  H     0.85451   0.93813   0.14562   0.00000  Uiso   1.00
H1031  H     0.81102   0.95369   0.12545   0.00000  Uiso   1.00
H1033  H     0.89727   0.99267   0.09110   0.00000  Uiso   1.00
H1034  H     0.94536   0.99292   0.11753   0.00000  Uiso   1.00
H1035  H     0.98208   0.98675   0.08646   0.00000  Uiso   1.00
H1036  H     0.96574   0.89961   0.08979   0.00000  Uiso   1.00
H1037  H     0.92539   0.90967   0.11572   0.00000  Uiso   1.00
H1038  H     0.93888   0.92557   0.16474   0.00000  Uiso   1.00
H1039  H     0.94397   0.93106   0.21411   0.00000  Uiso   1.00
H1040  H     0.89248   0.99750   0.21699   0.00000  Uiso   1.00
H1041  H     0.88595   0.99285   0.16683   0.00000  Uiso   1.00
H1043  H     0.97283   0.94631   0.29125   0.00000  Uiso   1.00
N408   N     0.57744   0.87300   0.12820   0.00000  Uiso   1.00
N410   N     0.78274   0.98425   0.10151   0.00000  Uiso   1.00
N421   N     0.59062   0.85957   0.17119   0.00000  Uiso   1.00
N422   N     0.92042   0.99220   0.25590   0.00000  Uiso   1.00
N423   N     0.94866   0.98247   0.29352   0.00000  Uiso   1.00
N424   N     0.95083   0.95596   0.25542   0.00000  Uiso   1.00
N429   N     0.55402   0.83939   0.14965   0.00000  Uiso   1.00
C1510  C     0.59369   0.87635   0.15039   0.00000  Uiso   1.00
C1511  C     0.75976   0.99485   0.09454   0.00000  Uiso   1.00
C1515  C     0.80510   0.99211   0.08938   0.00000  Uiso   1.00
C1519  C     0.93024   0.97030   0.24416   0.00000  Uiso   1.00
C1522  C     0.56994   0.84189   0.17108   0.00000  Uiso   1.00
C1530  C     0.55758   0.85501   0.12853   0.00000  Uiso   1.00
C1531  C     0.92918   0.99683   0.28040   0.00000  Uiso   1.00
C1532  C     0.95915   0.96119   0.28061   0.00000  Uiso   1.00
N432   N     0.66349   0.96973   0.15211   0.00000  Uiso   1.00
N433   N     0.90587   0.95823   0.13238   0.00000  Uiso   1.00
C1537  C     0.64546   0.92750   0.17202   0.00000  Uiso   1.00
C1545  C     0.62898   0.94108   0.12725   0.00000  Uiso   1.00
C1546  C     0.63072   0.90327   0.16947   0.00000  Uiso   1.00
C1548  C     0.67240   0.99663   0.19360   0.00000  Uiso   1.00
C1551  C     0.85464   0.95228   0.12880   0.00000  Uiso   1.00
C1552  C     0.83050   0.96227   0.11816   0.00000  Uiso   1.00
C1554  C     0.85485   0.99293   0.08814   0.00000  Uiso   1.00
C1555  C     0.73525   0.96737   0.12588   0.00000  Uiso   1.00
C1556  C     0.87869   0.98375   0.09965   0.00000  Uiso   1.00
C1558  C     0.94709   0.97396   0.10793   0.00000  Uiso   1.00
C1559  C     0.97109   0.96921   0.09365   0.00000  Uiso   1.00
C1560  C     0.96193   0.92130   0.09516   0.00000  Uiso   1.00
C1562  C     0.93781   0.92619   0.10882   0.00000  Uiso   1.00
C1563  C     0.71252   0.96103   0.14208   0.00000  Uiso   1.00
C1564  C     0.92888   0.94119   0.17464   0.00000  Uiso   1.00
C1566  C     0.93264   0.94467   0.20260   0.00000  Uiso   1.00
C1568  C     0.90305   0.98253   0.20468   0.00000  Uiso   1.00
C1569  C     0.89961   0.98001   0.17698   0.00000  Uiso   1.00
C1578  C     0.68600   0.99566   0.11677   0.00000  Uiso   1.00
C1579  C     0.61488   0.91504   0.12652   0.00000  Uiso   1.00
C1585  C     0.83033   0.98218   0.09783   0.00000  Uiso   1.00
C1591  C     0.61360   0.89688   0.14854   0.00000  Uiso   1.00
C1592  C     0.73514   0.98848   0.10679   0.00000  Uiso   1.00
C1593  C     0.92268   0.96590   0.21716   0.00000  Uiso   1.00
C1596  C     0.97759   0.94281   0.08521   0.00000  Uiso   1.00
C1597  C     0.64511   0.94629   0.15034   0.00000  Uiso   1.00
C1598  C     0.87965   0.96410   0.11959   0.00000  Uiso   1.00
C1599  C     0.91137   0.95932   0.16113   0.00000  Uiso   1.00
C1600  C     0.68720   0.97444   0.13577   0.00000  Uiso   1.00
C1603  C     0.65582   0.99183   0.17113   0.00000  Uiso   1.00
C1604  C     0.92929   0.95278   0.11594   0.00000  Uiso   1.00
N19    N     0.17956   0.37904   0.72647   0.00000  Uiso   1.00
N20    N     0.13841   0.35850   0.73214   0.00000  Uiso   1.00
N21    N     0.17643   0.34097   0.75453   0.00000  Uiso   1.00
N22    N     0.13251   0.09121   0.80531   0.00000  Uiso   1.00
N23    N     0.10705   0.12437   0.78249   0.00000  Uiso   1.00
N24    N     0.13553   0.13731   0.81824   0.00000  Uiso   1.00
C11    C     0.14948   0.34043   0.74894   0.00000  Uiso   1.00
C12    C     0.19108   0.36017   0.74234   0.00000  Uiso   1.00
C13    C     0.11799   0.14331   0.79849   0.00000  Uiso   1.00
C57    C     0.11477   0.21694   0.81220   0.00000  Uiso   1.00
C58    C     0.12155   0.18968   0.81192   0.00000  Uiso   1.00
C59    C     0.09135   0.17918   0.77490   0.00000  Uiso   1.00
C60    C     0.08285   0.20728   0.77512   0.00000  Uiso   1.00
C61    C     0.12857   0.28054   0.79070   0.00000  Uiso   1.00
C62    C     0.14362   0.30077   0.77844   0.00000  Uiso   1.00
C63    C     0.10582   0.31580   0.75558   0.00000  Uiso   1.00
C64    C     0.08979   0.29552   0.76660   0.00000  Uiso   1.00
C65    C     0.06283   0.27271   0.83557   0.00000  Uiso   1.00
C66    C     0.03914   0.28252   0.84802   0.00000  Uiso   1.00
C67    C     0.01469   0.27267   0.80632   0.00000  Uiso   1.00
C68    C     0.03815   0.26517   0.79302   0.00000  Uiso   1.00
C81    C     0.26314   0.38467   0.74779   0.00000  Uiso   1.00
C82    C     0.23769   0.38044   0.73513   0.00000  Uiso   1.00
C83    C     0.23218   0.34214   0.76314   0.00000  Uiso   1.00
C84    C     0.25840   0.34364   0.77233   0.00000  Uiso   1.00
C88    C     0.30868   0.41477   0.79509   0.00000  Uiso   1.00
H30    H     0.12260   0.23052   0.82769   0.00000  Uiso   1.00
H32    H     0.13656   0.18106   0.82564   0.00000  Uiso   1.00
H33    H     0.07900   0.16346   0.76435   0.00000  Uiso   1.00
H34    H     0.06770   0.21579   0.76012   0.00000  Uiso   1.00
H36    H     0.13935   0.26757   0.80478   0.00000  Uiso   1.00
H37    H     0.16513   0.30110   0.78344   0.00000  Uiso   1.00
H39    H     0.09701   0.32790   0.73784   0.00000  Uiso   1.00
H40    H     0.06914   0.29428   0.75932   0.00000  Uiso   1.00
H42    H     0.08275   0.27617   0.84411   0.00000  Uiso   1.00
H44    H     0.04025   0.29182   0.86718   0.00000  Uiso   1.00
H47    H     0.03750   0.25886   0.77243   0.00000  Uiso   1.00
H49    H     0.14488   0.39474   0.70963   0.00000  Uiso   1.00
H53    H     0.15580   0.10698   0.83909   0.00000  Uiso   1.00
H54    H     0.10848   0.08290   0.77140   0.00000  Uiso   1.00
H74    H     0.27570   0.40099   0.73941   0.00000  Uiso   1.00
H76    H     0.22941   0.39669   0.72109   0.00000  Uiso   1.00
H78    H     0.22043   0.32516   0.77072   0.00000  Uiso   1.00
H80    H     0.26786   0.32764   0.78434   0.00000  Uiso   1.00
H85    H     0.31260   0.45344   0.81527   0.00000  Uiso   1.00
H87    H     0.29860   0.42235   0.77614   0.00000  Uiso   1.00
C91    C     0.13306   0.31958   0.76079   0.00000  Uiso   1.00
C96    C     0.01464   0.27934   0.83429   0.00000  Uiso   1.00
C98    C     0.21952   0.36034   0.74531   0.00000  Uiso   1.00
C99    C     0.11035   0.17058   0.79577   0.00000  Uiso   1.00
N36    N     0.08667   0.25484   0.79524   0.00000  Uiso   1.00
N39    N     0.30294   0.36963   0.77369   0.00000  Uiso   1.00
C114   C     0.06257   0.26337   0.80872   0.00000  Uiso   1.00
C115   C     0.10165   0.27572   0.78343   0.00000  Uiso   1.00
C117   C     0.27492   0.36540   0.76448   0.00000  Uiso   1.00
C122   C     0.31317   0.38573   0.79521   0.00000  Uiso   1.00
C123   C     0.09457   0.22600   0.79426   0.00000  Uiso   1.00
C126   C     0.15330   0.37837   0.72235   0.00000  Uiso   1.00
C130   C     0.11600   0.09849   0.78523   0.00000  Uiso   1.00
C136   C     0.14192   0.11144   0.82218   0.00000  Uiso   1.00
N49    N     0.18285   0.37995   0.57350   0.00000  Uiso   1.00
N50    N     0.21467   0.34500   0.56968   0.00000  Uiso   1.00
N51    N     0.18385   0.34566   0.60457   0.00000  Uiso   1.00
N52    N     0.42510   0.31254   0.65121   0.00000  Uiso   1.00
N53    N     0.37723   0.31600   0.64229   0.00000  Uiso   1.00
N54    N     0.39517   0.27758   0.66200   0.00000  Uiso   1.00
N55    N     0.18729   0.20567   0.79239   0.00000  Uiso   1.00
N56    N     0.18275   0.21244   0.74499   0.00000  Uiso   1.00
N57    N     0.22508   0.21650   0.76730   0.00000  Uiso   1.00
N58    N     0.09779   0.43831   0.77792   0.00000  Uiso   1.00
N59    N     0.07301   0.39874   0.78125   0.00000  Uiso   1.00
N60    N     0.08956   0.41818   0.81999   0.00000  Uiso   1.00
C147   C     0.20496   0.36952   0.56157   0.00000  Uiso   1.00
C148   C     0.20324   0.33293   0.59091   0.00000  Uiso   1.00
C149   C     0.17257   0.36763   0.59543   0.00000  Uiso   1.00
C150   C     0.37366   0.29099   0.65169   0.00000  Uiso   1.00
C151   C     0.20960   0.21685   0.74540   0.00000  Uiso   1.00
C152   C     0.08421   0.41848   0.76670   0.00000  Uiso   1.00
C158   C     0.40228   0.32563   0.64162   0.00000  Uiso   1.00
C159   C     0.42026   0.28732   0.66085   0.00000  Uiso   1.00
C160   C     0.17275   0.20564   0.76968   0.00000  Uiso   1.00
C161   C     0.21254   0.21177   0.79110   0.00000  Uiso   1.00
C162   C     0.07648   0.39855   0.80684   0.00000  Uiso   1.00
C163   C     0.09836   0.43875   0.80489   0.00000  Uiso   1.00
H94    H     0.34076   0.46307   0.52182   0.00000  Uiso   1.00
H100   H     0.21441   0.44567   0.50724   0.00000  Uiso   1.00
H101   H     0.18926   0.41630   0.54233   0.00000  Uiso   1.00
H102   H     0.24900   0.35406   0.52876   0.00000  Uiso   1.00
H112   H     0.30435   0.23140   0.67294   0.00000  Uiso   1.00
H113   H     0.35107   0.24762   0.67545   0.00000  Uiso   1.00
H114   H     0.33118   0.31877   0.63187   0.00000  Uiso   1.00
H115   H     0.28309   0.30343   0.62925   0.00000  Uiso   1.00
H116   H     0.21083   0.27592   0.65959   0.00000  Uiso   1.00
H117   H     0.19000   0.31168   0.63725   0.00000  Uiso   1.00
H118   H     0.24418   0.30104   0.56883   0.00000  Uiso   1.00
H119   H     0.27437   0.27359   0.59847   0.00000  Uiso   1.00
H120   H     0.21508   0.23055   0.65375   0.00000  Uiso   1.00
H121   H     0.19030   0.21516   0.69261   0.00000  Uiso   1.00
H122   H     0.26015   0.23914   0.74236   0.00000  Uiso   1.00
H123   H     0.28325   0.25447   0.70431   0.00000  Uiso   1.00
H124   H     0.43736   0.27371   0.66683   0.00000  Uiso   1.00
H126   H     0.40543   0.34378   0.62935   0.00000  Uiso   1.00
H129   H     0.05379   0.38071   0.68772   0.00000  Uiso   1.00
H130   H     0.06367   0.37679   0.73913   0.00000  Uiso   1.00
H131   H     0.11056   0.44950   0.73075   0.00000  Uiso   1.00
H132   H     0.10308   0.44997   0.67953   0.00000  Uiso   1.00
H133   H     0.10598   0.35756   0.65814   0.00000  Uiso   1.00
H134   H     0.14779   0.34225   0.63652   0.00000  Uiso   1.00
H135   H     0.14691   0.41573   0.58832   0.00000  Uiso   1.00
H136   H     0.11040   0.43282   0.61474   0.00000  Uiso   1.00
H137   H     0.05676   0.36262   0.62613   0.00000  Uiso   1.00
H138   H     0.01151   0.36053   0.60876   0.00000  Uiso   1.00
H141   H     0.04427   0.44782   0.64430   0.00000  Uiso   1.00
H155   H     0.22624   0.20887   0.80859   0.00000  Uiso   1.00
H156   H     0.15122   0.20225   0.77241   0.00000  Uiso   1.00
H159   H     0.10839   0.45436   0.81580   0.00000  Uiso   1.00
H162   H     0.07275   0.38040   0.81810   0.00000  Uiso   1.00
N64    N     0.26221   0.25802   0.65175   0.00000  Uiso   1.00
C166   C     0.30464   0.45113   0.50197   0.00000  Uiso   1.00
C170   C     0.06935   0.39259   0.69784   0.00000  Uiso   1.00
C172   C     0.07108   0.39327   0.72671   0.00000  Uiso   1.00
C174   C     0.09937   0.43398   0.72005   0.00000  Uiso   1.00
C176   C     0.09693   0.43211   0.69128   0.00000  Uiso   1.00
C178   C     0.11536   0.37101   0.64386   0.00000  Uiso   1.00
C179   C     0.13941   0.36278   0.63248   0.00000  Uiso   1.00
C180   C     0.22071   0.42600   0.51481   0.00000  Uiso   1.00
C181   C     0.13934   0.40310   0.60303   0.00000  Uiso   1.00
C182   C     0.11785   0.41264   0.61884   0.00000  Uiso   1.00
C183   C     0.31074   0.25038   0.66246   0.00000  Uiso   1.00
C184   C     0.04491   0.38065   0.62776   0.00000  Uiso   1.00
C185   C     0.01748   0.37850   0.61866   0.00000  Uiso   1.00
C186   C     0.33792   0.25898   0.66322   0.00000  Uiso   1.00
C187   C     0.00031   0.40129   0.61898   0.00000  Uiso   1.00
C188   C     0.20741   0.40897   0.53319   0.00000  Uiso   1.00
C189   C     0.01110   0.42670   0.62696   0.00000  Uiso   1.00
C190   C     0.03654   0.42810   0.63850   0.00000  Uiso   1.00
C191   C     0.32522   0.29933   0.64075   0.00000  Uiso   1.00
C195   C     0.29845   0.29047   0.63700   0.00000  Uiso   1.00
C199   C     0.21894   0.28016   0.64005   0.00000  Uiso   1.00
C201   C     0.24000   0.37322   0.52552   0.00000  Uiso   1.00
C203   C     0.20604   0.30117   0.62741   0.00000  Uiso   1.00
C205   C     0.32186   0.47002   0.51545   0.00000  Uiso   1.00
C208   C     0.23815   0.29724   0.58916   0.00000  Uiso   1.00
C210   C     0.25510   0.38965   0.50815   0.00000  Uiso   1.00
C212   C     0.25401   0.27906   0.60578   0.00000  Uiso   1.00
C217   C     0.22473   0.23302   0.67269   0.00000  Uiso   1.00
C219   C     0.20929   0.22498   0.69491   0.00000  Uiso   1.00
C221   C     0.24918   0.23662   0.72348   0.00000  Uiso   1.00
C222   C     0.31115   0.49515   0.52066   0.00000  Uiso   1.00
C224   C     0.26324   0.24609   0.70048   0.00000  Uiso   1.00
C225   C     0.26640   0.48173   0.50332   0.00000  Uiso   1.00
C229   C     0.21673   0.38300   0.53946   0.00000  Uiso   1.00
C231   C     0.34570   0.28367   0.65216   0.00000  Uiso   1.00
C233   C     0.22234   0.22526   0.72149   0.00000  Uiso   1.00
C234   C     0.08442   0.41564   0.73814   0.00000  Uiso   1.00
C236   C     0.21562   0.30975   0.60222   0.00000  Uiso   1.00
C239   C     0.15029   0.37759   0.61036   0.00000  Uiso   1.00
C244   C     0.24423   0.27036   0.63167   0.00000  Uiso   1.00
C245   C     0.29020   0.26459   0.64878   0.00000  Uiso   1.00
C246   C     0.25030   0.24660   0.67526   0.00000  Uiso   1.00
N68    N     0.07999   0.40681   0.65154   0.00000  Uiso   1.00
C247   C     0.05357   0.40522   0.63792   0.00000  Uiso   1.00
C251   C     0.10438   0.39696   0.63813   0.00000  Uiso   1.00
C253   C     0.24531   0.41617   0.50305   0.00000  Uiso   1.00
C255   C     0.08145   0.41083   0.67990   0.00000  Uiso   1.00
N93    N     0.46030   0.15187   0.58126   0.00000  Uiso   1.00
N95    N     0.48168   0.12025   0.60974   0.00000  Uiso   1.00
C269   C     0.45929   0.13185   0.59962   0.00000  Uiso   1.00
H207   H     0.48090   0.27832   0.51327   0.00000  Uiso   1.00
H217   H     0.44122   0.18371   0.54675   0.00000  Uiso   1.00
H218   H     0.44435   0.21002   0.50939   0.00000  Uiso   1.00
H235   H     0.44055   0.12270   0.60278   0.00000  Uiso   1.00
C282   C     0.48556   0.16162   0.57567   0.00000  Uiso   1.00
C308   C     0.46161   0.19189   0.54222   0.00000  Uiso   1.00
C310   C     0.46339   0.20851   0.51941   0.00000  Uiso   1.00
C351   C     0.48462   0.18438   0.55820   0.00000  Uiso   1.00
C364   C     0.48943   0.21636   0.51165   0.00000  Uiso   1.00
H244   H     0.42983   0.44008   0.91299   0.00000  Uiso   1.00
H245   H     0.45017   0.41228   0.83426   0.00000  Uiso   1.00
H246   H     0.35217   0.27777   0.95284   0.00000  Uiso   1.00
H247   H     0.37670   0.25341   0.98733   0.00000  Uiso   1.00
H248   H     0.44223   0.24455   0.92566   0.00000  Uiso   1.00
H249   H     0.41058   0.26302   0.89094   0.00000  Uiso   1.00
H250   H     0.36076   0.32857   0.93017   0.00000  Uiso   1.00
H251   H     0.37194   0.37595   0.91745   0.00000  Uiso   1.00
H252   H     0.40105   0.34533   0.83840   0.00000  Uiso   1.00
H253   H     0.38572   0.30169   0.84973   0.00000  Uiso   1.00
H254   H     0.35633   0.24008   0.86836   0.00000  Uiso   1.00
H255   H     0.31347   0.21529   0.86589   0.00000  Uiso   1.00
H256   H     0.27336   0.28003   0.90837   0.00000  Uiso   1.00
H257   H     0.31765   0.30448   0.91485   0.00000  Uiso   1.00
H260   H     0.49106   0.21728   0.94329   0.00000  Uiso   1.00
H272   H     0.06672   0.26937   0.89963   0.00000  Uiso   1.00
H273   H     0.03453   0.24306   0.93227   0.00000  Uiso   1.00
H274   H     0.09975   0.23455   0.98932   0.00000  Uiso   1.00
H275   H     0.12800   0.26333   0.96222   0.00000  Uiso   1.00
H276   H     0.09716   0.32564   0.92931   0.00000  Uiso   1.00
H277   H     0.09268   0.37288   0.90340   0.00000  Uiso   1.00
H278   H     0.10062   0.37385   0.85493   0.00000  Uiso   1.00
H279   H     0.11835   0.33398   0.83128   0.00000  Uiso   1.00
H280   H     0.12569   0.29059   0.85821   0.00000  Uiso   1.00
H281   H     0.16679   0.30812   0.91802   0.00000  Uiso   1.00
H282   H     0.20947   0.28764   0.90766   0.00000  Uiso   1.00
H283   H     0.16986   0.21832   0.87259   0.00000  Uiso   1.00
H284   H     0.12478   0.23719   0.88858   0.00000  Uiso   1.00
H287   H     0.28216   0.13881   0.80607   0.00000  Uiso   1.00
H288   H     0.28379   0.17554   0.83671   0.00000  Uiso   1.00
H289   H     0.19599   0.17153   0.84665   0.00000  Uiso   1.00
H290   H     0.19851   0.12821   0.82225   0.00000  Uiso   1.00
H291   H     0.27248   0.08541   0.82283   0.00000  Uiso   1.00
H292   H     0.30615   0.05222   0.80831   0.00000  Uiso   1.00
H293   H     0.27960   0.05720   0.72823   0.00000  Uiso   1.00
H294   H     0.24428   0.09122   0.74112   0.00000  Uiso   1.00
H295   H     0.22903   0.15186   0.75640   0.00000  Uiso   1.00
H296   H     0.19239   0.16309   0.72948   0.00000  Uiso   1.00
H297   H     0.15260   0.08656   0.74926   0.00000  Uiso   1.00
H298   H     0.19478   0.08017   0.78439   0.00000  Uiso   1.00
H299   H     0.38006   0.02531   0.79053   0.00000  Uiso   1.00
H300   H     0.35717   0.01673   0.56713   0.00000  Uiso   1.00
H305   H     0.42797   0.01825   0.59188   0.00000  Uiso   1.00
H306   H     0.45350   0.05491   0.56544   0.00000  Uiso   1.00
H307   H     0.43036   0.09800   0.55451   0.00000  Uiso   1.00
H308   H     0.38381   0.10682   0.57956   0.00000  Uiso   1.00
H309   H     0.36325   0.07088   0.60588   0.00000  Uiso   1.00
H310   H     0.41680   0.01039   0.66096   0.00000  Uiso   1.00
H311   H     0.40200   0.01940   0.70983   0.00000  Uiso   1.00
H312   H     0.32323   0.04197   0.68207   0.00000  Uiso   1.00
H313   H     0.33601   0.03384   0.63605   0.00000  Uiso   1.00
H316   H     0.08564   0.11424   0.69907   0.00000  Uiso   1.00
H317   H     0.12040   0.18802   0.69486   0.00000  Uiso   1.00
N104   N     0.44341   0.42938   0.87566   0.00000  Uiso   1.00
N105   N     0.26275   0.21264   0.86626   0.00000  Uiso   1.00
N106   N     0.24035   0.24812   0.88872   0.00000  Uiso   1.00
N107   N     0.05595   0.20899   0.99914   0.00000  Uiso   1.00
N108   N     0.02152   0.21774   0.96770   0.00000  Uiso   1.00
N110   N     0.21584   0.21255   0.86907   0.00000  Uiso   1.00
N113   N     0.45130   0.22150   0.97344   0.00000  Uiso   1.00
N114   N     0.42549   0.38909   0.85683   0.00000  Uiso   1.00
N115   N     0.37325   0.03149   0.74789   0.00000  Uiso   1.00
N116   N     0.33027   0.04357   0.73462   0.00000  Uiso   1.00
N117   N     0.33970   0.03803   0.78008   0.00000  Uiso   1.00
N118   N     0.40977   0.40486   0.89794   0.00000  Uiso   1.00
N122   N     0.10213   0.15231   0.69353   0.00000  Uiso   1.00
N123   N     0.14553   0.15935   0.71189   0.00000  Uiso   1.00
N124   N     0.12428   0.11751   0.71745   0.00000  Uiso   1.00
C376   C     0.00477   0.20054   0.98071   0.00000  Uiso   1.00
C379   C     0.36538   0.03126   0.77446   0.00000  Uiso   1.00
C381   C     0.42782   0.42503   0.89687   0.00000  Uiso   1.00
C382   C     0.44152   0.41045   0.85418   0.00000  Uiso   1.00
C384   C     0.12347   0.16763   0.69996   0.00000  Uiso   1.00
C385   C     0.10319   0.12720   0.70306   0.00000  Uiso   1.00
C386   C     0.26300   0.23583   0.88129   0.00000  Uiso   1.00
C387   C     0.04690   0.22062   0.97733   0.00000  Uiso   1.00
C388   C     0.21738   0.23687   0.88257   0.00000  Uiso   1.00
C389   C     0.23900   0.20175   0.86082   0.00000  Uiso   1.00
C390   C     0.46496   0.20742   0.99087   0.00000  Uiso   1.00
C391   C     0.42774   0.23135   0.98069   0.00000  Uiso   1.00
C392   C     0.35535   0.03529   0.72797   0.00000  Uiso   1.00
C393   C     0.32291   0.04408   0.75991   0.00000  Uiso   1.00
C394   C     0.40861   0.38703   0.87752   0.00000  Uiso   1.00
C396   C     0.14525   0.13444   0.72178   0.00000  Uiso   1.00
N125   N     0.36514   0.28550   0.90011   0.00000  Uiso   1.00
N126   N     0.23704   0.11201   0.78877   0.00000  Uiso   1.00
N128   N     0.11705   0.28347   0.91032   0.00000  Uiso   1.00
N129   N     0.38166   0.02034   0.61795   0.00000  Uiso   1.00
C398   C     0.38559   0.25467   0.96706   0.00000  Uiso   1.00
C400   C     0.26392   0.14513   0.81528   0.00000  Uiso   1.00
C401   C     0.38369   0.31709   0.86567   0.00000  Uiso   1.00
C402   C     0.26365   0.16698   0.83325   0.00000  Uiso   1.00
C403   C     0.19250   0.27477   0.90415   0.00000  Uiso   1.00
C404   C     0.21604   0.16340   0.83981   0.00000  Uiso   1.00
C406   C     0.21484   0.14172   0.82272   0.00000  Uiso   1.00
C407   C     0.09883   0.35404   0.89342   0.00000  Uiso   1.00
C408   C     0.27335   0.08069   0.80194   0.00000  Uiso   1.00
C409   C     0.42249   0.24940   0.93305   0.00000  Uiso   1.00
C410   C     0.29253   0.05979   0.79517   0.00000  Uiso   1.00
C411   C     0.37152   0.27031   0.94720   0.00000  Uiso   1.00
C412   C     0.27798   0.06332   0.74866   0.00000  Uiso   1.00
C413   C     0.25939   0.08351   0.75559   0.00000  Uiso   1.00
C414   C     0.21265   0.13818   0.75497   0.00000  Uiso   1.00
C415   C     0.19065   0.14394   0.73923   0.00000  Uiso   1.00
C416   C     0.16655   0.28680   0.91098   0.00000  Uiso   1.00
C417   C     0.17106   0.10101   0.75012   0.00000  Uiso   1.00
C419   C     0.19276   0.09669   0.76975   0.00000  Uiso   1.00
C420   C     0.39271   0.34367   0.85831   0.00000  Uiso   1.00
C422   C     0.07245   0.26235   0.92046   0.00000  Uiso   1.00
C423   C     0.16944   0.23852   0.88285   0.00000  Uiso   1.00
C425   C     0.05490   0.24762   0.93740   0.00000  Uiso   1.00
C426   C     0.10101   0.33008   0.90793   0.00000  Uiso   1.00
C428   C     0.40524   0.26190   0.91282   0.00000  Uiso   1.00
C433   C     0.14399   0.24787   0.89191   0.00000  Uiso   1.00
C436   C     0.41946   0.03789   0.58871   0.00000  Uiso   1.00
C437   C     0.43331   0.05839   0.57346   0.00000  Uiso   1.00
C438   C     0.42023   0.08326   0.56796   0.00000  Uiso   1.00
C440   C     0.39443   0.08790   0.58001   0.00000  Uiso   1.00
C441   C     0.36794   0.33373   0.90963   0.00000  Uiso   1.00
C442   C     0.38359   0.06878   0.59746   0.00000  Uiso   1.00
C444   C     0.39622   0.01716   0.66707   0.00000  Uiso   1.00
C445   C     0.33753   0.24932   0.87903   0.00000  Uiso   1.00
C446   C     0.38949   0.02437   0.69379   0.00000  Uiso   1.00
C447   C     0.34346   0.03582   0.67950   0.00000  Uiso   1.00
C449   C     0.35024   0.02996   0.65317   0.00000  Uiso   1.00
C450   C     0.37451   0.36031   0.90172   0.00000  Uiso   1.00
C452   C     0.10544   0.35544   0.86641   0.00000  Uiso   1.00
C453   C     0.29082   0.27214   0.89944   0.00000  Uiso   1.00
C454   C     0.09120   0.24230   0.97180   0.00000  Uiso   1.00
C455   C     0.11442   0.33257   0.85333   0.00000  Uiso   1.00
C456   C     0.10874   0.25753   0.95445   0.00000  Uiso   1.00
C457   C     0.11851   0.30826   0.86791   0.00000  Uiso   1.00
C459   C     0.31265   0.23480   0.87568   0.00000  Uiso   1.00
C460   C     0.31500   0.28678   0.90152   0.00000  Uiso   1.00
C461   C     0.41226   0.24542   0.96058   0.00000  Uiso   1.00
C462   C     0.19272   0.24932   0.89021   0.00000  Uiso   1.00
C463   C     0.29700   0.05268   0.76813   0.00000  Uiso   1.00
C465   C     0.36260   0.03257   0.69986   0.00000  Uiso   1.00
C466   C     0.23986   0.17727   0.84556   0.00000  Uiso   1.00
C467   C     0.16832   0.12674   0.73538   0.00000  Uiso   1.00
C468   C     0.06505   0.23567   0.96180   0.00000  Uiso   1.00
C469   C     0.28822   0.24686   0.88491   0.00000  Uiso   1.00
C470   C     0.38951   0.36559   0.87796   0.00000  Uiso   1.00
C471   C     0.49045   0.19622   0.98230   0.00000  Uiso   1.00
C473   C     0.37206   0.31195   0.89109   0.00000  Uiso   1.00
C475   C     0.34020   0.27424   0.89233   0.00000  Uiso   1.00
C476   C     0.11143   0.30723   0.89498   0.00000  Uiso   1.00
C477   C     0.23859   0.13272   0.80911   0.00000  Uiso   1.00
C478   C     0.37665   0.02239   0.64601   0.00000  Uiso   1.00
C481   C     0.25601   0.09151   0.78268   0.00000  Uiso   1.00
C482   C     0.38116   0.27332   0.92078   0.00000  Uiso   1.00
C483   C     0.21368   0.11497   0.77147   0.00000  Uiso   1.00
C484   C     0.14318   0.27210   0.90527   0.00000  Uiso   1.00
C485   C     0.09950   0.26878   0.92880   0.00000  Uiso   1.00
C486   C     0.39503   0.04260   0.60243   0.00000  Uiso   1.00
H318   H     0.31347   0.27932   0.82606   0.00000  Uiso   1.00
H319   H     0.38665   0.29292   0.78734   0.00000  Uiso   1.00
H320   H     0.32584   0.12569   0.65997   0.00000  Uiso   1.00
H321   H     0.36197   0.09336   0.65617   0.00000  Uiso   1.00
H322   H     0.38950   0.11052   0.73725   0.00000  Uiso   1.00
H323   H     0.34574   0.13961   0.74226   0.00000  Uiso   1.00
H324   H     0.28665   0.17436   0.74937   0.00000  Uiso   1.00
H325   H     0.29499   0.21517   0.77788   0.00000  Uiso   1.00
H326   H     0.36660   0.23274   0.73244   0.00000  Uiso   1.00
H327   H     0.35522   0.19309   0.69928   0.00000  Uiso   1.00
H328   H     0.29536   0.18748   0.66468   0.00000  Uiso   1.00
H329   H     0.25258   0.18555   0.64565   0.00000  Uiso   1.00
H330   H     0.23095   0.11424   0.69216   0.00000  Uiso   1.00
H331   H     0.27684   0.12060   0.71438   0.00000  Uiso   1.00
H332   H     0.44240   0.06711   0.64195   0.00000  Uiso   1.00
H333   H     0.15316   0.12269   0.67305   0.00000  Uiso   1.00
H334   H     0.18081   0.25555   0.59053   0.00000  Uiso   1.00
H335   H     0.20308   0.21744   0.61091   0.00000  Uiso   1.00
H336   H     0.12302   0.19086   0.63854   0.00000  Uiso   1.00
H337   H     0.10592   0.22981   0.62154   0.00000  Uiso   1.00
H338   H     0.13533   0.32159   0.57752   0.00000  Uiso   1.00
H339   H     0.13981   0.33930   0.53202   0.00000  Uiso   1.00
H340   H     0.13080   0.25311   0.50619   0.00000  Uiso   1.00
H341   H     0.12571   0.24122   0.55309   0.00000  Uiso   1.00
H342   H     0.13544   0.27792   0.64889   0.00000  Uiso   1.00
H343   H     0.11065   0.30606   0.68163   0.00000  Uiso   1.00
H344   H     0.04614   0.31370   0.62255   0.00000  Uiso   1.00
H345   H     0.07593   0.29374   0.58703   0.00000  Uiso   1.00
H361   H     0.43808   0.10978   0.75164   0.00000  Uiso   1.00
H362   H     0.46675   0.11888   0.78945   0.00000  Uiso   1.00
H364   H     0.49331   0.12451   0.87961   0.00000  Uiso   1.00
H365   H     0.48228   0.07575   0.88869   0.00000  Uiso   1.00
H366   H     0.49924   0.04106   0.85734   0.00000  Uiso   1.00
H374   H     0.05292   0.33370   0.73808   0.00000  Uiso   1.00
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N133   N     0.41017   0.08251   0.66575   0.00000  Uiso   1.00
N134   N     0.36161   0.26207   0.77185   0.00000  Uiso   1.00
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N142   N     0.03349   0.32890   0.66690   0.00000  Uiso   1.00
N143   N     0.02310   0.34190   0.71010   0.00000  Uiso   1.00
N150   N     0.32132   0.25440   0.79448   0.00000  Uiso   1.00
C487   C     0.36826   0.27983   0.79080   0.00000  Uiso   1.00
C488   C     0.16832   0.13652   0.66327   0.00000  Uiso   1.00
C491   C     0.01593   0.34066   0.68462   0.00000  Uiso   1.00
C492   C     0.04682   0.33258   0.71751   0.00000  Uiso   1.00
C495   C     0.32967   0.27325   0.81306   0.00000  Uiso   1.00
C504   C     0.43574   0.07407   0.66244   0.00000  Uiso   1.00
C507   C     0.05770   0.32207   0.67478   0.00000  Uiso   1.00
C508   C     0.33847   0.24942   0.77393   0.00000  Uiso   1.00
C509   C     0.40448   0.09361   0.69012   0.00000  Uiso   1.00
C516   C     0.17616   0.17724   0.64142   0.00000  Uiso   1.00
C518   C     0.44730   0.08553   0.70561   0.00000  Uiso   1.00
C521   C     0.21174   0.15171   0.65751   0.00000  Uiso   1.00
N166   N     0.12808   0.27092   0.59721   0.00000  Uiso   1.00
N169   N     0.31422   0.15710   0.70535   0.00000  Uiso   1.00
C523   C     0.37359   0.11246   0.72170   0.00000  Uiso   1.00
C527   C     0.13718   0.20387   0.62708   0.00000  Uiso   1.00
C529   C     0.27083   0.13340   0.69865   0.00000  Uiso   1.00
C530   C     0.16889   0.24172   0.60277   0.00000  Uiso   1.00
C531   C     0.49876   0.10833   0.86497   0.00000  Uiso   1.00
C535   C     0.12655   0.22752   0.61867   0.00000  Uiso   1.00
C537   C     0.30374   0.18667   0.74433   0.00000  Uiso   1.00
C540   C     0.13281   0.30665   0.56229   0.00000  Uiso   1.00
C544   C     0.13670   0.31639   0.53601   0.00000  Uiso   1.00
C546   C     0.30807   0.20978   0.76018   0.00000  Uiso   1.00
C549   C     0.13271   0.26934   0.52198   0.00000  Uiso   1.00
C552   C     0.13005   0.26147   0.54831   0.00000  Uiso   1.00
C556   C     0.11667   0.28706   0.64351   0.00000  Uiso   1.00
C558   C     0.34960   0.21867   0.73548   0.00000  Uiso   1.00
C560   C     0.10094   0.30282   0.66230   0.00000  Uiso   1.00
C565   C     0.06671   0.30801   0.62825   0.00000  Uiso   1.00
C567   C     0.34301   0.19681   0.71793   0.00000  Uiso   1.00
C569   C     0.08340   0.29632   0.60782   0.00000  Uiso   1.00
C571   C     0.33903   0.12240   0.67845   0.00000  Uiso   1.00
C574   C     0.36011   0.10393   0.67541   0.00000  Uiso   1.00
C575   C     0.49137   0.08187   0.87018   0.00000  Uiso   1.00
C579   C     0.28216   0.17160   0.67103   0.00000  Uiso   1.00
C580   C     0.49785   0.06172   0.85182   0.00000  Uiso   1.00
C582   C     0.47605   0.10870   0.77229   0.00000  Uiso   1.00
C583   C     0.35035   0.12856   0.72547   0.00000  Uiso   1.00
C585   C     0.25803   0.16815   0.65675   0.00000  Uiso   1.00
C586   C     0.24576   0.12978   0.68506   0.00000  Uiso   1.00
C590   C     0.45847   0.10040   0.75158   0.00000  Uiso   1.00
C591   C     0.49313   0.07773   0.72746   0.00000  Uiso   1.00
C594   C     0.18150   0.21855   0.61206   0.00000  Uiso   1.00
C596   C     0.37841   0.10123   0.69687   0.00000  Uiso   1.00
C600   C     0.13560   0.29706   0.51433   0.00000  Uiso   1.00
C601   C     0.16530   0.20045   0.62725   0.00000  Uiso   1.00
C604   C     0.07467   0.31113   0.65512   0.00000  Uiso   1.00
C610   C     0.33196   0.22704   0.75665   0.00000  Uiso   1.00
C611   C     0.23837   0.14826   0.66499   0.00000  Uiso   1.00
C612   C     0.46618   0.08645   0.72742   0.00000  Uiso   1.00
C613   C     0.14152   0.24710   0.60506   0.00000  Uiso   1.00
C617   C     0.31977   0.18034   0.72221   0.00000  Uiso   1.00
C618   C     0.13030   0.27980   0.56919   0.00000  Uiso   1.00
C625   C     0.10976   0.28526   0.61527   0.00000  Uiso   1.00
C626   C     0.33408   0.13545   0.70352   0.00000  Uiso   1.00
C629   C     0.29009   0.15336   0.69049   0.00000  Uiso   1.00
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N176   N     0.38828   0.17371   0.64253   0.00000  Uiso   1.00
N177   N     0.43459   0.16618   0.64451   0.00000  Uiso   1.00
C634   C     0.43716   0.19062   0.63146   0.00000  Uiso   1.00
C640   C     0.46291   0.22985   0.61971   0.00000  Uiso   1.00
C641   C     0.48820   0.24239   0.61706   0.00000  Uiso   1.00
C675   C     0.48628   0.18783   0.63210   0.00000  Uiso   1.00
H413   H     0.48838   0.26316   0.61046   0.00000  Uiso   1.00
H415   H     0.48524   0.16607   0.64004   0.00000  Uiso   1.00
H434   H     0.37393   0.20502   0.61648   0.00000  Uiso   1.00
H438   H     0.44450   0.24205   0.61594   0.00000  Uiso   1.00
H446   H     0.40600   0.14345   0.66628   0.00000  Uiso   1.00
C683   C     0.46207   0.20237   0.62758   0.00000  Uiso   1.00
C689   C     0.39214   0.19533   0.62736   0.00000  Uiso   1.00
C698   C     0.40916   0.15956   0.65213   0.00000  Uiso   1.00
H460   H     0.45200   0.47046   0.99021   0.00000  Uiso   1.00
H461   H     0.40602   0.48241   0.96554   0.00000  Uiso   1.00
H462   H     0.34463   0.48525   0.95170   0.00000  Uiso   1.00
H463   H     0.30965   0.46862   0.97723   0.00000  Uiso   1.00
C747   C     0.41652   0.49521   0.98101   0.00000  Uiso   1.00
C774   C     0.33871   0.49587   0.97084   0.00000  Uiso   1.00
C788   C     0.31784   0.48590   0.98680   0.00000  Uiso   1.00
C791   C     0.44113   0.48908   0.99293   0.00000  Uiso   1.00
N231   N     0.45653   0.31860   0.84280   0.00000  Uiso   1.00
N232   N     0.48237   0.35821   0.83512   0.00000  Uiso   1.00
N233   N     0.47486   0.32613   0.80012   0.00000  Uiso   1.00
N235   N     0.47529   0.13489   0.69080   0.00000  Uiso   1.00
N237   N     0.31806   0.11627   0.85923   0.00000  Uiso   1.00
N238   N     0.33511   0.15883   0.84543   0.00000  Uiso   1.00
N239   N     0.35239   0.12116   0.82651   0.00000  Uiso   1.00
N240   N     0.16387   0.34635   0.94309   0.00000  Uiso   1.00
N241   N     0.12622   0.37256   0.95568   0.00000  Uiso   1.00
N242   N     0.14790   0.34249   0.98756   0.00000  Uiso   1.00
N243   N     0.25060   0.14170   0.94518   0.00000  Uiso   1.00
N244   N     0.29599   0.15275   0.93752   0.00000  Uiso   1.00
N245   N     0.28302   0.10857   0.93332   0.00000  Uiso   1.00
N253   N     0.43101   0.04277   0.78348   0.00000  Uiso   1.00
N254   N     0.42589   0.00741   0.81532   0.00000  Uiso   1.00
C824   C     0.48736   0.34902   0.81026   0.00000  Uiso   1.00
C825   C     0.49198   0.11873   0.67692   0.00000  Uiso   1.00
C827   C     0.32007   0.14296   0.86123   0.00000  Uiso   1.00
C828   C     0.33769   0.10503   0.84411   0.00000  Uiso   1.00
C829   C     0.14458   0.36444   0.93749   0.00000  Uiso   1.00
C830   C     0.12884   0.36081   0.98037   0.00000  Uiso   1.00
C831   C     0.25815   0.11674   0.93983   0.00000  Uiso   1.00
C835   C     0.43981   0.02246   0.76723   0.00000  Uiso   1.00
H534   H     0.49883   0.36086   0.79789   0.00000  Uiso   1.00
H536   H     0.40211   0.18525   0.73210   0.00000  Uiso   1.00
H537   H     0.42924   0.15801   0.70497   0.00000  Uiso   1.00
H539   H     0.47393   0.22522   0.76234   0.00000  Uiso   1.00
H540   H     0.42176   0.22758   0.82425   0.00000  Uiso   1.00
H541   H     0.43396   0.27284   0.84587   0.00000  Uiso   1.00
H542   H     0.46386   0.29771   0.76548   0.00000  Uiso   1.00
H543   H     0.44571   0.25852   0.74493   0.00000  Uiso   1.00
H544   H     0.38067   0.23159   0.80425   0.00000  Uiso   1.00
H545   H     0.34544   0.20398   0.82299   0.00000  Uiso   1.00
H546   H     0.38344   0.13054   0.78809   0.00000  Uiso   1.00
H547   H     0.41665   0.16013   0.76526   0.00000  Uiso   1.00
H549   H     0.44855   0.31901   0.94068   0.00000  Uiso   1.00
H550   H     0.48661   0.10277   0.66383   0.00000  Uiso   1.00
H551   H     0.30134   0.24477   0.96802   0.00000  Uiso   1.00
H552   H     0.30743   0.20034   0.95218   0.00000  Uiso   1.00
H553   H     0.22386   0.18142   0.96302   0.00000  Uiso   1.00
H554   H     0.21564   0.22755   0.97862   0.00000  Uiso   1.00
H555   H     0.29451   0.30101   0.96464   0.00000  Uiso   1.00
H556   H     0.33459   0.31695   0.99226   0.00000  Uiso   1.00
H561   H     0.21027   0.33018   0.93598   0.00000  Uiso   1.00
H562   H     0.24515   0.29411   0.94054   0.00000  Uiso   1.00
H563   H     0.33942   0.08286   0.84030   0.00000  Uiso   1.00
H565   H     0.44481   0.31127   0.89112   0.00000  Uiso   1.00
H566   H     0.30639   0.15399   0.87607   0.00000  Uiso   1.00
H568   H     0.14270   0.37240   0.91624   0.00000  Uiso   1.00
H569   H     0.49161   0.38037   0.87724   0.00000  Uiso   1.00
H570   H     0.11386   0.36741   0.99613   0.00000  Uiso   1.00
H572   H     0.24343   0.10041   0.94362   0.00000  Uiso   1.00
H575   H     0.41693   0.36015   0.95674   0.00000  Uiso   1.00
H576   H     0.48913   0.39494   0.92460   0.00000  Uiso   1.00
H591   H     0.38449   0.33856   0.98435   0.00000  Uiso   1.00
H593   H     0.44080   0.14778   0.89002   0.00000  Uiso   1.00
H594   H     0.47865   0.15793   0.92296   0.00000  Uiso   1.00
H595   H     0.48832   0.13095   0.96208   0.00000  Uiso   1.00
H596   H     0.45396   0.09407   0.97548   0.00000  Uiso   1.00
H597   H     0.41892   0.08052   0.94255   0.00000  Uiso   1.00
H598   H     0.36512   0.07115   0.89853   0.00000  Uiso   1.00
H599   H     0.32207   0.07820   0.92185   0.00000  Uiso   1.00
H600   H     0.34229   0.16266   0.93187   0.00000  Uiso   1.00
H601   H     0.38812   0.15606   0.91340   0.00000  Uiso   1.00
H602   H     0.41340   0.12175   0.84188   0.00000  Uiso   1.00
H603   H     0.42415   0.08776   0.80431   0.00000  Uiso   1.00
H604   H     0.41659   0.02254   0.86111   0.00000  Uiso   1.00
H605   H     0.41275   0.05617   0.89822   0.00000  Uiso   1.00
H608   H     0.44190   0.02484   0.74663   0.00000  Uiso   1.00
C837   C     0.34932   0.14687   0.82588   0.00000  Uiso   1.00
C839   C     0.48613   0.15450   0.70603   0.00000  Uiso   1.00
C840   C     0.16656   0.33650   0.96904   0.00000  Uiso   1.00
C841   C     0.27069   0.15977   0.94441   0.00000  Uiso   1.00
C842   C     0.30165   0.12809   0.93075   0.00000  Uiso   1.00
C845   C     0.45910   0.31278   0.81708   0.00000  Uiso   1.00
C847   C     0.46768   0.34159   0.85200   0.00000  Uiso   1.00
C848   C     0.42510   0.03419   0.80890   0.00000  Uiso   1.00
N255   N     0.47074   0.36154   0.96413   0.00000  Uiso   1.00
N256   N     0.42117   0.21756   0.77131   0.00000  Uiso   1.00
C851   C     0.42377   0.18997   0.73135   0.00000  Uiso   1.00
C852   C     0.42852   0.24409   0.81178   0.00000  Uiso   1.00
C853   C     0.48013   0.37573   0.91851   0.00000  Uiso   1.00
C854   C     0.45392   0.33563   0.92557   0.00000  Uiso   1.00
C855   C     0.42443   0.34984   0.97498   0.00000  Uiso   1.00
C856   C     0.49689   0.38453   0.99858   0.00000  Uiso   1.00
C857   C     0.48003   0.36891   0.89087   0.00000  Uiso   1.00
C858   C     0.40441   0.33818   0.99225   0.00000  Uiso   1.00
C859   C     0.45254   0.32939   0.89809   0.00000  Uiso   1.00
C862   C     0.28393   0.23171   0.96546   0.00000  Uiso   1.00
C864   C     0.43690   0.26740   0.82438   0.00000  Uiso   1.00
C866   C     0.28727   0.20483   0.95599   0.00000  Uiso   1.00
C868   C     0.44039   0.17478   0.71512   0.00000  Uiso   1.00
C871   C     0.24077   0.19559   0.96196   0.00000  Uiso   1.00
C874   C     0.23624   0.22222   0.97234   0.00000  Uiso   1.00
C876   C     0.45240   0.28281   0.77882   0.00000  Uiso   1.00
C879   C     0.29864   0.29503   0.98617   0.00000  Uiso   1.00
C882   C     0.44233   0.25979   0.76697   0.00000  Uiso   1.00
C885   C     0.44491   0.13488   0.90918   0.00000  Uiso   1.00
C887   C     0.46623   0.14152   0.92711   0.00000  Uiso   1.00
C888   C     0.47064   0.12531   0.95058   0.00000  Uiso   1.00
C890   C     0.45261   0.10458   0.95658   0.00000  Uiso   1.00
C891   C     0.43250   0.09692   0.93829   0.00000  Uiso   1.00
C892   C     0.36027   0.09118   0.90584   0.00000  Uiso   1.00
C894   C     0.33586   0.09552   0.91779   0.00000  Uiso   1.00
C895   C     0.38257   0.20953   0.80293   0.00000  Uiso   1.00
C896   C     0.34778   0.14253   0.92532   0.00000  Uiso   1.00
C897   C     0.19111   0.30271   0.99705   0.00000  Uiso   1.00
C898   C     0.37423   0.13796   0.91588   0.00000  Uiso   1.00
C899   C     0.47930   0.19478   0.73292   0.00000  Uiso   1.00
C900   C     0.41484   0.09991   0.84517   0.00000  Uiso   1.00
C901   C     0.41868   0.08087   0.82374   0.00000  Uiso   1.00
C902   C     0.20979   0.31669   0.95382   0.00000  Uiso   1.00
C903   C     0.41538   0.04481   0.85752   0.00000  Uiso   1.00
C904   C     0.36250   0.19238   0.81259   0.00000  Uiso   1.00
C905   C     0.41076   0.06396   0.87768   0.00000  Uiso   1.00
C906   C     0.23163   0.29876   0.95636   0.00000  Uiso   1.00
C907   C     0.46365   0.21223   0.74837   0.00000  Uiso   1.00
C909   C     0.40063   0.17061   0.77605   0.00000  Uiso   1.00
C910   C     0.38298   0.15349   0.78966   0.00000  Uiso   1.00
C913   C     0.45073   0.28676   0.80691   0.00000  Uiso   1.00
C914   C     0.32865   0.12220   0.92541   0.00000  Uiso   1.00
C917   C     0.18932   0.31920   0.97414   0.00000  Uiso   1.00
C918   C     0.41867   0.05255   0.82949   0.00000  Uiso   1.00
C920   C     0.26601   0.18590   0.95377   0.00000  Uiso   1.00
C921   C     0.46868   0.17331   0.71771   0.00000  Uiso   1.00
C922   C     0.36381   0.16389   0.80870   0.00000  Uiso   1.00
C924   C     0.46527   0.34696   0.87991   0.00000  Uiso   1.00
C925   C     0.49573   0.37196   0.97419   0.00000  Uiso   1.00
C926   C     0.45192   0.35027   0.98245   0.00000  Uiso   1.00
C927   C     0.46666   0.35872   0.93649   0.00000  Uiso   1.00
C928   C     0.43573   0.20846   0.74950   0.00000  Uiso   1.00
C929   C     0.40212   0.19884   0.78360   0.00000  Uiso   1.00
C930   C     0.43023   0.24053   0.78340   0.00000  Uiso   1.00
N258   N     0.25669   0.26739   0.98407   0.00000  Uiso   1.00
N259   N     0.40737   0.10696   0.89544   0.00000  Uiso   1.00
C931   C     0.40928   0.09104   0.87177   0.00000  Uiso   1.00
C933   C     0.23380   0.28467   0.98051   0.00000  Uiso   1.00
C935   C     0.43036   0.11176   0.91333   0.00000  Uiso   1.00
C936   C     0.25787   0.24164   0.97255   0.00000  Uiso   1.00
C937   C     0.27802   0.28132   0.99889   0.00000  Uiso   1.00
C938   C     0.38080   0.11197   0.90704   0.00000  Uiso   1.00
N266   N     0.37393   0.40638   0.96472   0.00000  Uiso   1.00
N272   N     0.20531   0.41485   0.80823   0.00000  Uiso   1.00
N273   N     0.21524   0.43362   0.76639   0.00000  Uiso   1.00
N274   N     0.24695   0.43728   0.80393   0.00000  Uiso   1.00
N278   N     0.40587   0.39911   0.71942   0.00000  Uiso   1.00
N279   N     0.43659   0.37585   0.69388   0.00000  Uiso   1.00
N280   N     0.43244   0.36399   0.73982   0.00000  Uiso   1.00
C945   C     0.35089   0.41311   0.97631   0.00000  Uiso   1.00
C949   C     0.22887   0.42302   0.81790   0.00000  Uiso   1.00
C952   C     0.41764   0.39359   0.69563   0.00000  Uiso   1.00
N294   N     0.24725   0.40434   0.92869   0.00000  Uiso   1.00
C979   C     0.21879   0.39870   0.88848   0.00000  Uiso   1.00
C980   C     0.21512   0.40333   0.86091   0.00000  Uiso   1.00
C981   C     0.25874   0.42854   0.85793   0.00000  Uiso   1.00
C982   C     0.26343   0.42172   0.88515   0.00000  Uiso   1.00
C983   C     0.22564   0.39028   0.97121   0.00000  Uiso   1.00
C984   C     0.20599   0.39558   0.99149   0.00000  Uiso   1.00
C985   C     0.18628   0.41560   0.98682   0.00000  Uiso   1.00
C986   C     0.18554   0.42955   0.96239   0.00000  Uiso   1.00
C987   C     0.20417   0.42385   0.94102   0.00000  Uiso   1.00
C988   C     0.27630   0.41240   0.96730   0.00000  Uiso   1.00
C989   C     0.30189   0.41372   0.97985   0.00000  Uiso   1.00
C990   C     0.32061   0.39824   0.93774   0.00000  Uiso   1.00
C991   C     0.29587   0.39580   0.92612   0.00000  Uiso   1.00
C999   C     0.20234   0.30962   0.52122   0.00000  Uiso   1.00
C1000  C     0.19819   0.28383   0.53244   0.00000  Uiso   1.00
C1001  C     0.21389   0.26198   0.52432   0.00000  Uiso   1.00
C1002  C     0.23270   0.26506   0.50347   0.00000  Uiso   1.00
C1009  C     0.36683   0.49987   0.59923   0.00000  Uiso   1.00
C1011  C     0.31265   0.49094   0.61324   0.00000  Uiso   1.00
C1012  C     0.33009   0.46831   0.61183   0.00000  Uiso   1.00
C1013  C     0.36758   0.41027   0.57331   0.00000  Uiso   1.00
C1014  C     0.36298   0.39949   0.54719   0.00000  Uiso   1.00
C1015  C     0.38342   0.43756   0.52623   0.00000  Uiso   1.00
C1016  C     0.38468   0.45031   0.55177   0.00000  Uiso   1.00
C1017  C     0.37680   0.44136   0.65140   0.00000  Uiso   1.00
C1018  C     0.38664   0.42651   0.67370   0.00000  Uiso   1.00
C1019  C     0.42186   0.40794   0.64743   0.00000  Uiso   1.00
C1020  C     0.41320   0.42349   0.62448   0.00000  Uiso   1.00
C1035  C     0.12639   0.47131   0.56465   0.00000  Uiso   1.00
C1036  C     0.11360   0.45308   0.54685   0.00000  Uiso   1.00
C1037  C     0.11183   0.45937   0.51884   0.00000  Uiso   1.00
C1038  C     0.11778   0.48621   0.51154   0.00000  Uiso   1.00
H611   H     0.33734   0.39491   0.92351   0.00000  Uiso   1.00
H612   H     0.29616   0.38523   0.90596   0.00000  Uiso   1.00
H621   H     0.32572   0.33718   0.51018   0.00000  Uiso   1.00
H623   H     0.28623   0.30391   0.50977   0.00000  Uiso   1.00
H625   H     0.19118   0.32653   0.52981   0.00000  Uiso   1.00
H627   H     0.18168   0.28379   0.54750   0.00000  Uiso   1.00
H629   H     0.20912   0.24314   0.53281   0.00000  Uiso   1.00
H640   H     0.18012   0.41360   0.77404   0.00000  Uiso   1.00
H642   H     0.25093   0.45473   0.76349   0.00000  Uiso   1.00
H646   H     0.29093   0.48852   0.61753   0.00000  Uiso   1.00
H648   H     0.32232   0.44922   0.61842   0.00000  Uiso   1.00
H649   H     0.35705   0.39910   0.58932   0.00000  Uiso   1.00
H650   H     0.41661   0.40889   0.96968   0.00000  Uiso   1.00
H651   H     0.35250   0.38074   0.54405   0.00000  Uiso   1.00
H653   H     0.38540   0.44972   0.50832   0.00000  Uiso   1.00
H654   H     0.39610   0.47059   0.55361   0.00000  Uiso   1.00
H656   H     0.36044   0.45487   0.65471   0.00000  Uiso   1.00
H657   H     0.37832   0.42947   0.69504   0.00000  Uiso   1.00
H659   H     0.43869   0.39390   0.64456   0.00000  Uiso   1.00
H660   H     0.42303   0.41900   0.60495   0.00000  Uiso   1.00
H663   H     0.20146   0.38820   0.89643   0.00000  Uiso   1.00
H666   H     0.40350   0.38643   0.76023   0.00000  Uiso   1.00
H668   H     0.19649   0.39595   0.85458   0.00000  Uiso   1.00
H669   H     0.46271   0.34878   0.71521   0.00000  Uiso   1.00
H676   H     0.27108   0.44326   0.84738   0.00000  Uiso   1.00
H680   H     0.28102   0.43165   0.89323   0.00000  Uiso   1.00
H681   H     0.23532   0.49507   0.58906   0.00000  Uiso   1.00
H682   H     0.18905   0.48345   0.57894   0.00000  Uiso   1.00
H684   H     0.24141   0.37637   0.97616   0.00000  Uiso   1.00
H692   H     0.13087   0.46551   0.58419   0.00000  Uiso   1.00
H694   H     0.10752   0.43322   0.55255   0.00000  Uiso   1.00
H695   H     0.17270   0.44622   0.95800   0.00000  Uiso   1.00
H696   H     0.10390   0.44491   0.50365   0.00000  Uiso   1.00
H699   H     0.20415   0.43832   0.92465   0.00000  Uiso   1.00
H707   H     0.25986   0.42074   0.98075   0.00000  Uiso   1.00
C1046  C     0.36926   0.41238   0.52229   0.00000  Uiso   1.00
C1051  C     0.40838   0.40901   0.67239   0.00000  Uiso   1.00
C1052  C     0.32569   0.40844   0.96449   0.00000  Uiso   1.00
C1056  C     0.23469   0.41764   0.84544   0.00000  Uiso   1.00
C1064  C     0.22432   0.40393   0.94553   0.00000  Uiso   1.00
C1065  C     0.24387   0.40777   0.90152   0.00000  Uiso   1.00
C1067  C     0.27256   0.40512   0.93954   0.00000  Uiso   1.00
N295   N     0.37656   0.45016   0.60180   0.00000  Uiso   1.00
C1071  C     0.38807   0.43697   0.62573   0.00000  Uiso   1.00
C1073  C     0.13503   0.49810   0.55598   0.00000  Uiso   1.00
C1075  C     0.37747   0.43681   0.57671   0.00000  Uiso   1.00
C1082  C     0.35764   0.47275   0.60321   0.00000  Uiso   1.00
C1085  C     0.44389   0.36171   0.71529   0.00000  Uiso   1.00
C1089  C     0.41401   0.38375   0.74127   0.00000  Uiso   1.00
C1090  C     0.19932   0.41903   0.78178   0.00000  Uiso   1.00
C1093  C     0.23828   0.44251   0.77786   0.00000  Uiso   1.00
C1096  C     0.39694   0.41191   0.97894   0.00000  Uiso   1.00
H716   H     0.47734   0.39292   0.60653   0.00000  Uiso   1.00
H717   H     0.48099   0.40012   0.65472   0.00000  Uiso   1.00
H720   H     0.48831   0.30098   0.56765   0.00000  Uiso   1.00
H721   H     0.44453   0.27787   0.55938   0.00000  Uiso   1.00
H722   H     0.40557   0.35773   0.55734   0.00000  Uiso   1.00
H723   H     0.44761   0.37755   0.56968   0.00000  Uiso   1.00
H724   H     0.48386   0.35943   0.52279   0.00000  Uiso   1.00
H728   H     0.41904   0.47858   0.83937   0.00000  Uiso   1.00
H729   H     0.43815   0.49209   0.88116   0.00000  Uiso   1.00
H732   H     0.44635   0.46172   0.73905   0.00000  Uiso   1.00
H733   H     0.46754   0.42637   0.71180   0.00000  Uiso   1.00
H735   H     0.48804   0.43424   0.81027   0.00000  Uiso   1.00
H736   H     0.42006   0.43610   0.75805   0.00000  Uiso   1.00
H737   H     0.37177   0.43304   0.74806   0.00000  Uiso   1.00
H752   H     0.43811   0.20777   0.87897   0.00000  Uiso   1.00
H753   H     0.45404   0.14541   0.82867   0.00000  Uiso   1.00
H756   H     0.37532   0.24437   0.52704   0.00000  Uiso   1.00
H757   H     0.33432   0.31331   0.54262   0.00000  Uiso   1.00
H760   H     0.25675   0.43955   0.61373   0.00000  Uiso   1.00
H761   H     0.27115   0.44779   0.56520   0.00000  Uiso   1.00
H762   H     0.29609   0.41223   0.54093   0.00000  Uiso   1.00
H763   H     0.31080   0.37137   0.56603   0.00000  Uiso   1.00
H764   H     0.29904   0.36409   0.61474   0.00000  Uiso   1.00
H765   H     0.28841   0.36224   0.68160   0.00000  Uiso   1.00
H766   H     0.26332   0.32605   0.70018   0.00000  Uiso   1.00
H767   H     0.21179   0.32307   0.69506   0.00000  Uiso   1.00
H768   H     0.18754   0.35785   0.66681   0.00000  Uiso   1.00
H769   H     0.21352   0.39094   0.64243   0.00000  Uiso   1.00
H770   H     0.23829   0.44048   0.67130   0.00000  Uiso   1.00
H771   H     0.25347   0.47190   0.70543   0.00000  Uiso   1.00
H772   H     0.33530   0.44317   0.69617   0.00000  Uiso   1.00
H773   H     0.32049   0.40942   0.66119   0.00000  Uiso   1.00
H779   H     0.22381   0.48283   0.85981   0.00000  Uiso   1.00
H780   H     0.23115   0.47254   0.91093   0.00000  Uiso   1.00
H787   H     0.22630   0.46420   0.99189   0.00000  Uiso   1.00
N301   N     0.28835   0.48614   0.74233   0.00000  Uiso   1.00
N302   N     0.32096   0.49103   0.77612   0.00000  Uiso   1.00
N303   N     0.32936   0.46451   0.73861   0.00000  Uiso   1.00
N304   N     0.44517   0.17506   0.85358   0.00000  Uiso   1.00
N306   N     0.47997   0.17937   0.82351   0.00000  Uiso   1.00
N307   N     0.47122   0.21462   0.85424   0.00000  Uiso   1.00
N312   N     0.35112   0.27765   0.53447   0.00000  Uiso   1.00
N314   N     0.37562   0.31730   0.54712   0.00000  Uiso   1.00
N315   N     0.39791   0.27635   0.54039   0.00000  Uiso   1.00
N321   N     0.22936   0.48851   0.95719   0.00000  Uiso   1.00
C1099  C     0.45884   0.16568   0.83281   0.00000  Uiso   1.00
C1100  C     0.45163   0.19859   0.86427   0.00000  Uiso   1.00
C1103  C     0.35286   0.30431   0.53972   0.00000  Uiso   1.00
C1105  C     0.37468   0.26522   0.53383   0.00000  Uiso   1.00
C1109  C     0.22725   0.48423   0.98399   0.00000  Uiso   1.00
C1111  C     0.30423   0.46999   0.72980   0.00000  Uiso   1.00
C1112  C     0.48401   0.20471   0.83353   0.00000  Uiso   1.00
C1116  C     0.39787   0.30355   0.54779   0.00000  Uiso   1.00
C1120  C     0.29684   0.49687   0.76561   0.00000  Uiso   1.00
C1121  C     0.33747   0.47520   0.76139   0.00000  Uiso   1.00
N325   N     0.26785   0.40075   0.64498   0.00000  Uiso   1.00
N327   N     0.49601   0.35423   0.57542   0.00000  Uiso   1.00
C1129  C     0.48758   0.37837   0.61844   0.00000  Uiso   1.00
C1131  C     0.44612   0.35611   0.56718   0.00000  Uiso   1.00
C1133  C     0.49062   0.38211   0.64634   0.00000  Uiso   1.00
C1135  C     0.26663   0.42428   0.60228   0.00000  Uiso   1.00
C1136  C     0.44067   0.48210   0.83972   0.00000  Uiso   1.00
C1137  C     0.27449   0.42850   0.57476   0.00000  Uiso   1.00
C1139  C     0.28954   0.40890   0.56180   0.00000  Uiso   1.00
C1140  C     0.45156   0.48726   0.86482   0.00000  Uiso   1.00
C1141  C     0.29862   0.38586   0.57650   0.00000  Uiso   1.00
C1143  C     0.29238   0.38214   0.60414   0.00000  Uiso   1.00
C1144  C     0.26753   0.36049   0.67353   0.00000  Uiso   1.00
C1145  C     0.49776   0.48443   0.84726   0.00000  Uiso   1.00
C1146  C     0.25251   0.34013   0.68587   0.00000  Uiso   1.00
C1148  C     0.22396   0.33829   0.68382   0.00000  Uiso   1.00
C1149  C     0.48725   0.47814   0.82178   0.00000  Uiso   1.00
C1150  C     0.21022   0.35692   0.66798   0.00000  Uiso   1.00
C1152  C     0.22464   0.37613   0.65379   0.00000  Uiso   1.00
C1153  C     0.25905   0.44033   0.67692   0.00000  Uiso   1.00
C1154  C     0.46110   0.44859   0.74881   0.00000  Uiso   1.00
C1155  C     0.26771   0.45935   0.69601   0.00000  Uiso   1.00
C1156  C     0.31310   0.44086   0.69123   0.00000  Uiso   1.00
C1157  C     0.47267   0.42773   0.73317   0.00000  Uiso   1.00
C1158  C     0.30454   0.42268   0.67097   0.00000  Uiso   1.00
C1159  C     0.46968   0.31312   0.56556   0.00000  Uiso   1.00
C1163  C     0.49771   0.41424   0.77301   0.00000  Uiso   1.00
C1166  C     0.48438   0.43393   0.78852   0.00000  Uiso   1.00
C1168  C     0.44484   0.30023   0.56083   0.00000  Uiso   1.00
C1169  C     0.22293   0.49833   0.87440   0.00000  Uiso   1.00
C1170  C     0.22703   0.49306   0.90198   0.00000  Uiso   1.00
C1171  C     0.40763   0.45152   0.76613   0.00000  Uiso   1.00
C1174  C     0.37990   0.44927   0.76276   0.00000  Uiso   1.00
C1178  C     0.37454   0.48873   0.79251   0.00000  Uiso   1.00
C1180  C     0.42269   0.34323   0.55840   0.00000  Uiso   1.00
C1182  C     0.40271   0.48952   0.79515   0.00000  Uiso   1.00
C1184  C     0.49939   0.37097   0.52910   0.00000  Uiso   1.00
C1189  C     0.47972   0.49220   0.86856   0.00000  Uiso   1.00
C1190  C     0.42140   0.31581   0.55530   0.00000  Uiso   1.00
C1191  C     0.49182   0.40964   0.74527   0.00000  Uiso   1.00
C1192  C     0.36255   0.46943   0.77340   0.00000  Uiso   1.00
C1196  C     0.29463   0.45795   0.70536   0.00000  Uiso   1.00
C1199  C     0.27663   0.42078   0.66391   0.00000  Uiso   1.00
C1200  C     0.25339   0.37829   0.65700   0.00000  Uiso   1.00
C1206  C     0.49892   0.35719   0.60427   0.00000  Uiso   1.00
C1207  C     0.47107   0.34123   0.56919   0.00000  Uiso   1.00
C1208  C     0.27499   0.40168   0.61719   0.00000  Uiso   1.00
N328   N     0.44822   0.46765   0.79242   0.00000  Uiso   1.00
C1210  C     0.45855   0.47674   0.81809   0.00000  Uiso   1.00
C1211  C     0.42071   0.47015   0.78347   0.00000  Uiso   1.00
C1212  C     0.46459   0.45140   0.77660   0.00000  Uiso   1.00
N380   N     0.01062   0.36269   0.95998   0.00000  Uiso   1.00
N381   N     0.00446   0.36335   0.91319   0.00000  Uiso   1.00
N382   N     0.03490   0.33171   0.93376   0.00000  Uiso   1.00
C1415  C     0.02270   0.34382   0.91206   0.00000  Uiso   1.00
H924   H     0.02690   0.33721   0.89217   0.00000  Uiso   1.00
H945   H     0.10083   0.30149   0.99783   0.00000  Uiso   1.00
H961   H     0.06427   0.30325   0.95984   0.00000  Uiso   1.00
C1433  C     0.02931   0.34235   0.95807   0.00000  Uiso   1.00
C1486  C     0.06218   0.31475   0.97897   0.00000  Uiso   1.00
C1494  C     0.04054   0.33209   0.98153   0.00000  Uiso   1.00
N439   N     0.44165   0.48554   0.53605   0.00000  Uiso   1.00
N440   N     0.47726   0.45701   0.53428   0.00000  Uiso   1.00
N451   N     0.49173   0.26280   0.93106   0.00000  Uiso   1.00
C1610  C     0.46119   0.47314   0.54835   0.00000  Uiso   1.00
C1613  C     0.43839   0.48631   0.50959   0.00000  Uiso   1.00
N463   N     0.47564   0.48356   0.66045   0.00000  Uiso   1.00
C1635  C     0.48759   0.45958   0.61736   0.00000  Uiso   1.00
C1636  C     0.48116   0.45572   0.58868   0.00000  Uiso   1.00
C1637  C     0.42582   0.48953   0.66586   0.00000  Uiso   1.00
C1638  C     0.44792   0.49285   0.59162   0.00000  Uiso   1.00
C1652  C     0.45445   0.49691   0.61885   0.00000  Uiso   1.00
C1676  C     0.21505   0.49625   0.64850   0.00000  Uiso   1.00
C1677  C     0.19818   0.47327   0.64512   0.00000  Uiso   1.00
C1678  C     0.18515   0.46240   0.66774   0.00000  Uiso   1.00
C1679  C     0.19014   0.47302   0.69373   0.00000  Uiso   1.00
C1680  C     0.20328   0.49783   0.69613   0.00000  Uiso   1.00
H1048  H     0.49235   0.44124   0.57707   0.00000  Uiso   1.00
H1057  H     0.42291   0.47527   0.64891   0.00000  Uiso   1.00
H1088  H     0.19746   0.46167   0.62719   0.00000  Uiso   1.00
H1090  H     0.17427   0.44328   0.66699   0.00000  Uiso   1.00
H1091  H     0.18145   0.46235   0.71013   0.00000  Uiso   1.00
H1118  H     0.49890   0.44397   0.62734   0.00000  Uiso   1.00
H1122  H     0.38418   0.49685   0.67034   0.00000  Uiso   1.00
H1126  H     0.48228   0.47556   0.71312   0.00000  Uiso   1.00
H1146  H     0.00769   0.36746   0.78451   0.00000  Uiso   1.00
H1148  H     0.47680   0.25357   0.89099   0.00000  Uiso   1.00
C1718  C     0.46240   0.47380   0.57630   0.00000  Uiso   1.00
C1730  C     0.45328   0.49493   0.67520   0.00000  Uiso   1.00
C1731  C     0.47185   0.47980   0.63213   0.00000  Uiso   1.00
C1750  C     0.47314   0.45589   0.50753   0.00000  Uiso   1.00
C1757  C     0.48986   0.26670   0.90366   0.00000  Uiso   1.00
N16    N     0.94328   0.30622   0.86658   0.00000  Uiso   1.00
N17    N     0.98776   0.29181   0.87384   0.00000  Uiso   1.00
N18    N     0.96973   0.29362   0.83036   0.00000  Uiso   1.00
N31    N     0.33864   0.46503   0.85933   0.00000  Uiso   1.00
N32    N     0.35243   0.42648   0.88176   0.00000  Uiso   1.00
N33    N     0.36340   0.46925   0.89936   0.00000  Uiso   1.00
C9     C     0.96361   0.29895   0.88275   0.00000  Uiso   1.00
C10    C     0.99010   0.28782   0.84678   0.00000  Uiso   1.00
C16    C     0.34008   0.43795   0.86108   0.00000  Uiso   1.00
C37    C     0.92343   0.31247   0.94456   0.00000  Uiso   1.00
C54    C     0.93283   0.31100   0.91798   0.00000  Uiso   1.00
C70    C     0.97731   0.29789   0.93146   0.00000  Uiso   1.00
C72    C     0.96837   0.29735   0.95871   0.00000  Uiso   1.00
C76    C     0.33406   0.36991   0.73466   0.00000  Uiso   1.00
C77    C     0.35205   0.35776   0.71612   0.00000  Uiso   1.00
C78    C     0.35810   0.33027   0.71995   0.00000  Uiso   1.00
C79    C     0.34425   0.31419   0.74021   0.00000  Uiso   1.00
C80    C     0.32600   0.32714   0.75843   0.00000  Uiso   1.00
C85    C     0.32527   0.37430   0.81909   0.00000  Uiso   1.00
C86    C     0.33483   0.39158   0.83989   0.00000  Uiso   1.00
C87    C     0.31832   0.43192   0.81549   0.00000  Uiso   1.00
H1     H     0.66810   0.27539   0.99789   0.00000  Uiso   1.00
H19    H     0.90136   0.31445   0.94833   0.00000  Uiso   1.00
H22    H     0.54208   0.22869   0.98301   0.00000  Uiso   1.00
H25    H     0.92924   0.30908   0.82822   0.00000  Uiso   1.00
H27    H     0.91713   0.31547   0.90291   0.00000  Uiso   1.00
H45    H     0.99655   0.26936   0.79365   0.00000  Uiso   1.00
H52    H     0.99784   0.29186   0.92684   0.00000  Uiso   1.00
H57    H     0.92454   0.35510   0.99934   0.00000  Uiso   1.00
H58    H     0.98257   0.28927   0.97361   0.00000  Uiso   1.00
H66    H     0.32823   0.39141   0.73201   0.00000  Uiso   1.00
H67    H     0.36026   0.36787   0.69836   0.00000  Uiso   1.00
H69    H     0.37230   0.32006   0.70731   0.00000  Uiso   1.00
H71    H     0.34591   0.29167   0.73855   0.00000  Uiso   1.00
H73    H     0.31594   0.31722   0.77523   0.00000  Uiso   1.00
H77    H     0.88266   0.31991   0.99791   0.00000  Uiso   1.00
H81    H     0.32972   0.35294   0.81910   0.00000  Uiso   1.00
H82    H     0.62132   0.25765   0.98984   0.00000  Uiso   1.00
H83    H     0.34296   0.38279   0.85884   0.00000  Uiso   1.00
H88    H     0.35270   0.50121   0.87432   0.00000  Uiso   1.00
H91    H     0.37140   0.43245   0.91968   0.00000  Uiso   1.00
C94    C     0.95974   0.30299   0.91079   0.00000  Uiso   1.00
C103   C     0.33275   0.42116   0.83894   0.00000  Uiso   1.00
N37    N     0.93290   0.30211   0.99346   0.00000  Uiso   1.00
C113   C     0.32230   0.35512   0.75624   0.00000  Uiso   1.00
C121   C     0.94169   0.30403   0.96553   0.00000  Uiso   1.00
C138   C     0.36276   0.44210   0.90127   0.00000  Uiso   1.00
C140   C     0.94683   0.30279   0.84032   0.00000  Uiso   1.00
C141   C     0.35018   0.48001   0.87827   0.00000  Uiso   1.00
H139   H     0.97956   0.39823   0.60904   0.00000  Uiso   1.00
H140   H     0.99849   0.44364   0.62388   0.00000  Uiso   1.00
N94    N     0.50828   0.15247   0.58826   0.00000  Uiso   1.00
C268   C     0.50543   0.13143   0.60549   0.00000  Uiso   1.00
H215   H     0.53391   0.21518   0.52195   0.00000  Uiso   1.00
H216   H     0.52863   0.18778   0.56199   0.00000  Uiso   1.00
H238   H     0.52285   0.12506   0.61658   0.00000  Uiso   1.00
C305   C     0.51245   0.20929   0.52740   0.00000  Uiso   1.00
C306   C     0.51045   0.19391   0.55071   0.00000  Uiso   1.00
H259   H     0.53310   0.19956   0.92447   0.00000  Uiso   1.00
H262   H     0.54000   0.15035   0.99676   0.00000  Uiso   1.00
H263   H     0.59517   0.13131   0.98134   0.00000  Uiso   1.00
H264   H     0.63737   0.13897   0.99993   0.00000  Uiso   1.00
H265   H     0.63501   0.22173   0.97479   0.00000  Uiso   1.00
H266   H     0.59361   0.21422   0.95213   0.00000  Uiso   1.00
H267   H     0.57766   0.16760   0.89684   0.00000  Uiso   1.00
H268   H     0.57189   0.13692   0.86001   0.00000  Uiso   1.00
H269   H     0.55691   0.09104   0.87176   0.00000  Uiso   1.00
H270   H     0.55041   0.07682   0.92154   0.00000  Uiso   1.00
H271   H     0.54841   0.11361   0.95676   0.00000  Uiso   1.00
H286   H     0.98275   0.19687   0.97386   0.00000  Uiso   1.00
N121   N     0.67698   0.21174   0.99367   0.00000  Uiso   1.00
C395   C     0.66623   0.18713   0.99892   0.00000  Uiso   1.00
N127   N     0.56574   0.16423   0.95063   0.00000  Uiso   1.00
C397   C     0.55413   0.09805   0.91420   0.00000  Uiso   1.00
C399   C     0.56096   0.10509   0.88792   0.00000  Uiso   1.00
C405   C     0.55660   0.11766   0.93619   0.00000  Uiso   1.00
C418   C     0.52599   0.19398   0.94504   0.00000  Uiso   1.00
C421   C     0.50105   0.20311   0.95590   0.00000  Uiso   1.00
C424   C     0.56922   0.13087   0.88135   0.00000  Uiso   1.00
C431   C     0.50442   0.17628   0.99663   0.00000  Uiso   1.00
C435   C     0.52938   0.16567   0.98535   0.00000  Uiso   1.00
C439   C     0.60440   0.15180   0.97909   0.00000  Uiso   1.00
C443   C     0.62842   0.15535   0.99105   0.00000  Uiso   1.00
C448   C     0.62676   0.20198   0.97525   0.00000  Uiso   1.00
C451   C     0.60241   0.19624   0.96230   0.00000  Uiso   1.00
C458   C     0.57228   0.14849   0.90365   0.00000  Uiso   1.00
C464   C     0.64080   0.18159   0.98972   0.00000  Uiso   1.00
C474   C     0.54081   0.17458   0.96040   0.00000  Uiso   1.00
C479   C     0.59034   0.17078   0.96434   0.00000  Uiso   1.00
C480   C     0.56498   0.14431   0.92991   0.00000  Uiso   1.00
H359   H     0.53127   0.07801   0.74613   0.00000  Uiso   1.00
H360   H     0.50057   0.06774   0.70919   0.00000  Uiso   1.00
H363   H     0.51706   0.13637   0.83780   0.00000  Uiso   1.00
H367   H     0.51033   0.05108   0.81222   0.00000  Uiso   1.00
H368   H     0.53565   0.14830   0.76831   0.00000  Uiso   1.00
H369   H     0.58144   0.16592   0.75476   0.00000  Uiso   1.00
H370   H     0.61618   0.10010   0.80054   0.00000  Uiso   1.00
H371   H     0.57077   0.08231   0.80726   0.00000  Uiso   1.00
H375   H     0.99560   0.34442   0.67758   0.00000  Uiso   1.00
H377   H     0.69377   0.12994   0.78360   0.00000  Uiso   1.00
H390   H     0.69941   0.31362   0.70067   0.00000  Uiso   1.00
H391   H     0.74747   0.32681   0.68674   0.00000  Uiso   1.00
H392   H     0.74481   0.26146   0.62765   0.00000  Uiso   1.00
H393   H     0.70048   0.24237   0.65173   0.00000  Uiso   1.00
H394   H     0.62441   0.24320   0.70049   0.00000  Uiso   1.00
H395   H     0.61783   0.20431   0.72941   0.00000  Uiso   1.00
H396   H     0.70559   0.20267   0.74462   0.00000  Uiso   1.00
H397   H     0.70783   0.24556   0.71905   0.00000  Uiso   1.00
H398   H     0.64673   0.30810   0.71562   0.00000  Uiso   1.00
H399   H     0.61228   0.34031   0.70455   0.00000  Uiso   1.00
H400   H     0.62852   0.31689   0.61933   0.00000  Uiso   1.00
H401   H     0.65305   0.27792   0.63480   0.00000  Uiso   1.00
H404   H     0.82230   0.34526   0.66237   0.00000  Uiso   1.00
H405   H     0.82482   0.27740   0.61162   0.00000  Uiso   1.00
H406   H     0.57289   0.37927   0.59617   0.00000  Uiso   1.00
H407   H     0.55821   0.39851   0.67616   0.00000  Uiso   1.00
N147   N     0.67881   0.16444   0.76389   0.00000  Uiso   1.00
N148   N     0.63096   0.16882   0.76164   0.00000  Uiso   1.00
N149   N     0.65148   0.13124   0.78411   0.00000  Uiso   1.00
N156   N     0.82766   0.31219   0.63667   0.00000  Uiso   1.00
N157   N     0.78915   0.28505   0.63176   0.00000  Uiso   1.00
N158   N     0.78833   0.32076   0.66178   0.00000  Uiso   1.00
N159   N     0.59471   0.35623   0.62336   0.00000  Uiso   1.00
N160   N     0.56461   0.39154   0.63562   0.00000  Uiso   1.00
N162   N     0.58561   0.36690   0.66880   0.00000  Uiso   1.00
C494   C     0.67645   0.14121   0.77753   0.00000  Uiso   1.00
C498   C     0.81500   0.29046   0.62769   0.00000  Uiso   1.00
C500   C     0.81351   0.32643   0.65350   0.00000  Uiso   1.00
C501   C     0.57768   0.37618   0.61749   0.00000  Uiso   1.00
C502   C     0.56869   0.38639   0.66079   0.00000  Uiso   1.00
C512   C     0.65577   0.17848   0.75595   0.00000  Uiso   1.00
C513   C     0.62951   0.14439   0.77470   0.00000  Uiso   1.00
C517   C     0.77594   0.30009   0.65011   0.00000  Uiso   1.00
C519   C     0.59791   0.35216   0.65007   0.00000  Uiso   1.00
N168   N     0.66990   0.27137   0.68775   0.00000  Uiso   1.00
N170   N     0.52366   0.10253   0.79333   0.00000  Uiso   1.00
C525   C     0.57402   0.10251   0.79868   0.00000  Uiso   1.00
C553   C     0.71026   0.30045   0.68633   0.00000  Uiso   1.00
C554   C     0.73693   0.30884   0.67856   0.00000  Uiso   1.00
C555   C     0.73566   0.27090   0.64662   0.00000  Uiso   1.00
C557   C     0.71040   0.26127   0.65775   0.00000  Uiso   1.00
C559   C     0.64272   0.23482   0.70925   0.00000  Uiso   1.00
C561   C     0.63770   0.21152   0.72585   0.00000  Uiso   1.00
C562   C     0.59980   0.11211   0.79455   0.00000  Uiso   1.00
C563   C     0.68628   0.21168   0.73650   0.00000  Uiso   1.00
C564   C     0.68871   0.23502   0.71952   0.00000  Uiso   1.00
C566   C     0.63999   0.30791   0.69550   0.00000  Uiso   1.00
C568   C     0.62036   0.32755   0.68810   0.00000  Uiso   1.00
C570   C     0.62914   0.31548   0.64136   0.00000  Uiso   1.00
C572   C     0.64361   0.29205   0.64994   0.00000  Uiso   1.00
C584   C     0.50834   0.06733   0.82615   0.00000  Uiso   1.00
C587   C     0.51054   0.08524   0.74786   0.00000  Uiso   1.00
C592   C     0.55336   0.13888   0.77615   0.00000  Uiso   1.00
C593   C     0.51007   0.11495   0.83951   0.00000  Uiso   1.00
C595   C     0.57992   0.14872   0.76963   0.00000  Uiso   1.00
C597   C     0.74956   0.29454   0.65742   0.00000  Uiso   1.00
C598   C     0.60360   0.13598   0.77988   0.00000  Uiso   1.00
C603   C     0.66084   0.20038   0.73963   0.00000  Uiso   1.00
C609   C     0.61458   0.33114   0.65966   0.00000  Uiso   1.00
C619   C     0.51310   0.09577   0.81975   0.00000  Uiso   1.00
C621   C     0.66785   0.24730   0.70499   0.00000  Uiso   1.00
C622   C     0.69706   0.27664   0.67760   0.00000  Uiso   1.00
C624   C     0.50383   0.10098   0.77089   0.00000  Uiso   1.00
C628   C     0.65069   0.28934   0.67635   0.00000  Uiso   1.00
C630   C     0.54998   0.11437   0.78917   0.00000  Uiso   1.00
N172   N     0.58150   0.34780   0.50207   0.00000  Uiso   1.00
N173   N     0.55308   0.31424   0.51667   0.00000  Uiso   1.00
N174   N     0.58617   0.33270   0.54630   0.00000  Uiso   1.00
N184   N     0.64390   0.17801   0.64706   0.00000  Uiso   1.00
N185   N     0.61844   0.16144   0.68325   0.00000  Uiso   1.00
N186   N     0.66035   0.14059   0.67275   0.00000  Uiso   1.00
N188   N     0.62673   0.49689   0.67087   0.00000  Uiso   1.00
C631   C     0.56651   0.31508   0.54107   0.00000  Uiso   1.00
C633   C     0.59384   0.34865   0.52728   0.00000  Uiso   1.00
C637   C     0.62183   0.17810   0.66223   0.00000  Uiso   1.00
C638   C     0.61277   0.49885   0.64826   0.00000  Uiso   1.00
N193   N     0.53867   0.23983   0.62022   0.00000  Uiso   1.00
C642   C     0.57841   0.19882   0.67238   0.00000  Uiso   1.00
C643   C     0.55729   0.21559   0.66146   0.00000  Uiso   1.00
C656   C     0.56495   0.27885   0.60672   0.00000  Uiso   1.00
C657   C     0.57261   0.29677   0.58589   0.00000  Uiso   1.00
C658   C     0.53602   0.27894   0.55847   0.00000  Uiso   1.00
C659   C     0.51093   0.20037   0.63220   0.00000  Uiso   1.00
C660   C     0.52796   0.26298   0.57940   0.00000  Uiso   1.00
C661   C     0.65632   0.45868   0.60303   0.00000  Uiso   1.00
C662   C     0.64553   0.46974   0.62596   0.00000  Uiso   1.00
C663   C     0.60553   0.48248   0.60017   0.00000  Uiso   1.00
C664   C     0.61628   0.46921   0.57661   0.00000  Uiso   1.00
C665   C     0.67004   0.47564   0.52364   0.00000  Uiso   1.00
C666   C     0.68967   0.48717   0.50657   0.00000  Uiso   1.00
C667   C     0.72123   0.45678   0.52787   0.00000  Uiso   1.00
C668   C     0.70096   0.44500   0.54428   0.00000  Uiso   1.00
C669   C     0.63713   0.39490   0.56916   0.00000  Uiso   1.00
C670   C     0.62342   0.37059   0.56104   0.00000  Uiso   1.00
C671   C     0.62218   0.38518   0.51449   0.00000  Uiso   1.00
C672   C     0.63379   0.41010   0.52222   0.00000  Uiso   1.00
C673   C     0.58798   0.23245   0.62410   0.00000  Uiso   1.00
C674   C     0.60848   0.21472   0.63467   0.00000  Uiso   1.00
H419   H     0.57691   0.27908   0.62494   0.00000  Uiso   1.00
H420   H     0.53638   0.21374   0.67189   0.00000  Uiso   1.00
H422   H     0.59297   0.30853   0.58770   0.00000  Uiso   1.00
H424   H     0.67894   0.15690   0.63755   0.00000  Uiso   1.00
H426   H     0.52401   0.28078   0.54029   0.00000  Uiso   1.00
H427   H     0.63626   0.12917   0.70419   0.00000  Uiso   1.00
H429   H     0.67537   0.44639   0.60689   0.00000  Uiso   1.00
H430   H     0.65892   0.47070   0.64524   0.00000  Uiso   1.00
H432   H     0.58635   0.49350   0.60009   0.00000  Uiso   1.00
H433   H     0.60621   0.46904   0.55720   0.00000  Uiso   1.00
H435   H     0.64987   0.48175   0.51987   0.00000  Uiso   1.00
H439   H     0.74209   0.44976   0.53068   0.00000  Uiso   1.00
H441   H     0.70460   0.42808   0.55825   0.00000  Uiso   1.00
H442   H     0.64257   0.39707   0.59016   0.00000  Uiso   1.00
H443   H     0.61847   0.35627   0.57757   0.00000  Uiso   1.00
H447   H     0.63663   0.42382   0.50416   0.00000  Uiso   1.00
H449   H     0.51243   0.24712   0.57367   0.00000  Uiso   1.00
H450   H     0.52647   0.18571   0.63797   0.00000  Uiso   1.00
H454   H     0.58981   0.23981   0.60389   0.00000  Uiso   1.00
H456   H     0.57466   0.18510   0.68957   0.00000  Uiso   1.00
H457   H     0.62715   0.21219   0.62508   0.00000  Uiso   1.00
C676   C     0.71632   0.47825   0.50954   0.00000  Uiso   1.00
C677   C     0.60254   0.19788   0.65648   0.00000  Uiso   1.00
C679   C     0.61403   0.36689   0.53425   0.00000  Uiso   1.00
C681   C     0.61994   0.48271   0.62497   0.00000  Uiso   1.00
C682   C     0.55752   0.29810   0.56149   0.00000  Uiso   1.00
C685   C     0.51337   0.22831   0.62446   0.00000  Uiso   1.00
C686   C     0.54331   0.26095   0.60286   0.00000  Uiso   1.00
C687   C     0.56058   0.23079   0.63703   0.00000  Uiso   1.00
C693   C     0.63878   0.14415   0.68844   0.00000  Uiso   1.00
C697   C     0.66219   0.15799   0.65153   0.00000  Uiso   1.00
N194   N     0.65270   0.44163   0.55682   0.00000  Uiso   1.00
C700   C     0.67435   0.45433   0.54220   0.00000  Uiso   1.00
C704   C     0.64143   0.45639   0.57950   0.00000  Uiso   1.00
C705   C     0.64186   0.41602   0.54934   0.00000  Uiso   1.00
C731   C     0.61179   0.49794   0.86465   0.00000  Uiso   1.00
H532   H     0.61825   0.47755   0.86226   0.00000  Uiso   1.00
N234   N     0.51282   0.15699   0.70716   0.00000  Uiso   1.00
N236   N     0.51847   0.12091   0.67824   0.00000  Uiso   1.00
N247   N     0.59062   0.40223   0.98392   0.00000  Uiso   1.00
N249   N     0.74924   0.20884   0.93437   0.00000  Uiso   1.00
N250   N     0.73681   0.24567   0.90852   0.00000  Uiso   1.00
N251   N     0.74146   0.25078   0.95482   0.00000  Uiso   1.00
C826   C     0.52877   0.13874   0.69643   0.00000  Uiso   1.00
C833   C     0.74557   0.22041   0.91031   0.00000  Uiso   1.00
C834   C     0.74781   0.22536   0.95629   0.00000  Uiso   1.00
H538   H     0.50185   0.19583   0.73571   0.00000  Uiso   1.00
H548   H     0.54987   0.14479   0.69712   0.00000  Uiso   1.00
H571   H     0.56126   0.37981   0.95478   0.00000  Uiso   1.00
H573   H     0.52064   0.35884   0.93916   0.00000  Uiso   1.00
H577   H     0.71125   0.34347   0.96740   0.00000  Uiso   1.00
H578   H     0.73464   0.29825   0.96692   0.00000  Uiso   1.00
H579   H     0.71616   0.28354   0.88391   0.00000  Uiso   1.00
H580   H     0.70331   0.33355   0.88236   0.00000  Uiso   1.00
H581   H     0.66683   0.39034   0.88103   0.00000  Uiso   1.00
H582   H     0.68815   0.41668   0.84109   0.00000  Uiso   1.00
H583   H     0.73821   0.42406   0.83805   0.00000  Uiso   1.00
H584   H     0.76665   0.40739   0.87875   0.00000  Uiso   1.00
H585   H     0.74760   0.38150   0.91387   0.00000  Uiso   1.00
H586   H     0.70376   0.39512   0.96271   0.00000  Uiso   1.00
H587   H     0.66959   0.42266   0.99270   0.00000  Uiso   1.00
H588   H     0.60617   0.38170   0.94782   0.00000  Uiso   1.00
H589   H     0.63867   0.36137   0.91737   0.00000  Uiso   1.00
H590   H     0.75484   0.21643   0.97628   0.00000  Uiso   1.00
H592   H     0.74633   0.20507   0.89234   0.00000  Uiso   1.00
C843   C     0.61463   0.41213   0.98965   0.00000  Uiso   1.00
C844   C     0.56893   0.41010   0.99737   0.00000  Uiso   1.00
C846   C     0.73337   0.25984   0.93099   0.00000  Uiso   1.00
C850   C     0.51940   0.37003   0.95859   0.00000  Uiso   1.00
C860   C     0.71418   0.33062   0.94946   0.00000  Uiso   1.00
C861   C     0.72523   0.30456   0.94905   0.00000  Uiso   1.00
C863   C     0.71773   0.29694   0.90242   0.00000  Uiso   1.00
C865   C     0.70842   0.32384   0.90025   0.00000  Uiso   1.00
C867   C     0.68927   0.39401   0.87903   0.00000  Uiso   1.00
C869   C     0.70080   0.40843   0.85785   0.00000  Uiso   1.00
C870   C     0.72969   0.41483   0.85612   0.00000  Uiso   1.00
C872   C     0.74555   0.40536   0.87826   0.00000  Uiso   1.00
C873   C     0.73332   0.39085   0.89914   0.00000  Uiso   1.00
C875   C     0.68188   0.39314   0.96078   0.00000  Uiso   1.00
C877   C     0.66395   0.40802   0.97683   0.00000  Uiso   1.00
C878   C     0.62883   0.38722   0.94963   0.00000  Uiso   1.00
C880   C     0.64673   0.37259   0.93420   0.00000  Uiso   1.00
C883   C     0.54230   0.38424   0.96590   0.00000  Uiso   1.00
C912   C     0.54369   0.39962   0.98915   0.00000  Uiso   1.00
C919   C     0.72557   0.28707   0.92760   0.00000  Uiso   1.00
C923   C     0.63584   0.40356   0.97189   0.00000  Uiso   1.00
N257   N     0.69571   0.36785   0.91996   0.00000  Uiso   1.00
C932   C     0.70623   0.38576   0.90026   0.00000  Uiso   1.00
C934   C     0.67472   0.37733   0.93800   0.00000  Uiso   1.00
C939   C     0.70393   0.34020   0.92347   0.00000  Uiso   1.00
H718   H     0.52825   0.32395   0.65812   0.00000  Uiso   1.00
H719   H     0.52396   0.32307   0.61098   0.00000  Uiso   1.00
H726   H     0.55171   0.42746   0.55220   0.00000  Uiso   1.00
H727   H     0.53030   0.39381   0.58596   0.00000  Uiso   1.00
H730   H     0.52015   0.48710   0.84657   0.00000  Uiso   1.00
H731   H     0.50119   0.47631   0.80388   0.00000  Uiso   1.00
H734   H     0.51475   0.40230   0.77984   0.00000  Uiso   1.00
H740   H     0.54207   0.27659   0.82671   0.00000  Uiso   1.00
H741   H     0.50593   0.25016   0.84876   0.00000  Uiso   1.00
H742   H     0.51472   0.18707   0.78977   0.00000  Uiso   1.00
H743   H     0.54710   0.21519   0.76545   0.00000  Uiso   1.00
H744   H     0.61980   0.27820   0.76092   0.00000  Uiso   1.00
H745   H     0.66386   0.25866   0.77633   0.00000  Uiso   1.00
H746   H     0.62488   0.19986   0.82854   0.00000  Uiso   1.00
H747   H     0.58100   0.22276   0.81896   0.00000  Uiso   1.00
H748   H     0.57138   0.26783   0.72681   0.00000  Uiso   1.00
H749   H     0.55914   0.30858   0.70220   0.00000  Uiso   1.00
H750   H     0.54736   0.35279   0.77830   0.00000  Uiso   1.00
H751   H     0.55523   0.31067   0.80398   0.00000  Uiso   1.00
H754   H     0.73810   0.22923   0.80216   0.00000  Uiso   1.00
H755   H     0.69974   0.17686   0.85553   0.00000  Uiso   1.00
N305   N     0.52336   0.37366   0.73957   0.00000  Uiso   1.00
N308   N     0.69588   0.22874   0.80230   0.00000  Uiso   1.00
N309   N     0.72218   0.20306   0.83103   0.00000  Uiso   1.00
N310   N     0.52658   0.34838   0.70119   0.00000  Uiso   1.00
N311   N     0.67372   0.19700   0.82988   0.00000  Uiso   1.00
N313   N     0.50005   0.38763   0.70255   0.00000  Uiso   1.00
N319   N     0.56424   0.43849   0.50611   0.00000  Uiso   1.00
C1101  C     0.72027   0.22133   0.81092   0.00000  Uiso   1.00
C1102  C     0.69809   0.19160   0.83918   0.00000  Uiso   1.00
C1113  C     0.53433   0.35366   0.72582   0.00000  Uiso   1.00
C1114  C     0.67321   0.21594   0.81103   0.00000  Uiso   1.00
C1115  C     0.50965   0.36651   0.68979   0.00000  Uiso   1.00
C1117  C     0.50569   0.39111   0.72856   0.00000  Uiso   1.00
N324   N     0.56969   0.26085   0.78085   0.00000  Uiso   1.00
C1123  C     0.51654   0.24209   0.83165   0.00000  Uiso   1.00
C1124  C     0.55812   0.31026   0.72527   0.00000  Uiso   1.00
C1125  C     0.62108   0.26218   0.77874   0.00000  Uiso   1.00
C1126  C     0.52580   0.39332   0.56494   0.00000  Uiso   1.00
C1127  C     0.55730   0.31011   0.78138   0.00000  Uiso   1.00
C1128  C     0.64632   0.25008   0.78578   0.00000  Uiso   1.00
C1130  C     0.51138   0.38698   0.50972   0.00000  Uiso   1.00
C1132  C     0.62441   0.21720   0.81493   0.00000  Uiso   1.00
C1134  C     0.53669   0.22418   0.78295   0.00000  Uiso   1.00
C1138  C     0.51666   0.33987   0.64881   0.00000  Uiso   1.00
C1142  C     0.59957   0.22898   0.80799   0.00000  Uiso   1.00
C1147  C     0.51524   0.33945   0.62008   0.00000  Uiso   1.00
C1151  C     0.52007   0.20651   0.79825   0.00000  Uiso   1.00
C1160  C     0.55325   0.33469   0.76681   0.00000  Uiso   1.00
C1181  C     0.53582   0.25754   0.81676   0.00000  Uiso   1.00
C1183  C     0.56753   0.28606   0.73842   0.00000  Uiso   1.00
C1185  C     0.53636   0.41234   0.54587   0.00000  Uiso   1.00
C1186  C     0.64858   0.22812   0.80390   0.00000  Uiso   1.00
C1188  C     0.50403   0.36180   0.66211   0.00000  Uiso   1.00
C1194  C     0.53065   0.40725   0.51749   0.00000  Uiso   1.00
C1195  C     0.50767   0.21669   0.82210   0.00000  Uiso   1.00
C1197  C     0.54999   0.33405   0.73771   0.00000  Uiso   1.00
C1198  C     0.50770   0.37200   0.55681   0.00000  Uiso   1.00
C1201  C     0.56464   0.28599   0.76610   0.00000  Uiso   1.00
C1202  C     0.54702   0.24830   0.79261   0.00000  Uiso   1.00
C1204  C     0.59649   0.25092   0.78909   0.00000  Uiso   1.00
N347   N     0.68427   0.46629   0.89970   0.00000  Uiso   1.00
N348   N     0.69655   0.47367   0.94436   0.00000  Uiso   1.00
C1223  C     0.68363   0.49275   0.89548   0.00000  Uiso   1.00
C1237  C     0.80800   0.47560   0.57313   0.00000  Uiso   1.00
C1238  C     0.82691   0.45614   0.56196   0.00000  Uiso   1.00
C1239  C     0.85125   0.46508   0.55106   0.00000  Uiso   1.00
C1240  C     0.85793   0.49274   0.55029   0.00000  Uiso   1.00
C1258  C     0.67867   0.49555   0.81890   0.00000  Uiso   1.00
C1259  C     0.67991   0.48348   0.84547   0.00000  Uiso   1.00
C1287  C     0.52890   0.49541   0.55523   0.00000  Uiso   1.00
H789   H     0.51322   0.48072   0.55659   0.00000  Uiso   1.00
H791   H     0.52674   0.49218   0.51398   0.00000  Uiso   1.00
H806   H     0.79119   0.46618   0.58452   0.00000  Uiso   1.00
H807   H     0.68130   0.48224   0.80151   0.00000  Uiso   1.00
H808   H     0.67885   0.46203   0.84804   0.00000  Uiso   1.00
H809   H     0.82498   0.43373   0.56545   0.00000  Uiso   1.00
H813   H     0.86480   0.45095   0.54268   0.00000  Uiso   1.00
H816   H     0.87801   0.49749   0.54094   0.00000  Uiso   1.00
H854   H     0.69066   0.43540   0.92895   0.00000  Uiso   1.00
C1320  C     0.68941   0.45632   0.92446   0.00000  Uiso   1.00
N386   N     0.81564   0.35563   0.95253   0.00000  Uiso   1.00
N387   N     0.81623   0.37443   0.90928   0.00000  Uiso   1.00
N388   N     0.79029   0.33637   0.91782   0.00000  Uiso   1.00
N395   N     0.80916   0.26078   0.70785   0.00000  Uiso   1.00
N396   N     0.79128   0.22414   0.68568   0.00000  Uiso   1.00
N397   N     0.77093   0.24318   0.72274   0.00000  Uiso   1.00
N398   N     0.65122   0.46928   0.74246   0.00000  Uiso   1.00
N399   N     0.66630   0.43849   0.77619   0.00000  Uiso   1.00
N400   N     0.69117   0.44526   0.73643   0.00000  Uiso   1.00
C1418  C     0.79983   0.33629   0.94252   0.00000  Uiso   1.00
C1423  C     0.81060   0.24218   0.68817   0.00000  Uiso   1.00
C1424  C     0.77099   0.22644   0.70263   0.00000  Uiso   1.00
C1425  C     0.64830   0.45628   0.76648   0.00000  Uiso   1.00
C1426  C     0.67342   0.46403   0.72882   0.00000  Uiso   1.00
H932   H     0.93657   0.48823   0.94181   0.00000  Uiso   1.00
H933   H     0.88322   0.41092   0.99743   0.00000  Uiso   1.00
H934   H     0.84908   0.37764   0.98499   0.00000  Uiso   1.00
H935   H     0.84459   0.41391   0.90480   0.00000  Uiso   1.00
H936   H     0.88053   0.44404   0.91783   0.00000  Uiso   1.00
H937   H     0.92774   0.42639   0.91408   0.00000  Uiso   1.00
H938   H     0.96233   0.39276   0.90175   0.00000  Uiso   1.00
H939   H     0.98520   0.39393   0.98822   0.00000  Uiso   1.00
H940   H     0.94695   0.42507   0.99688   0.00000  Uiso   1.00
H941   H     0.79234   0.32172   0.95840   0.00000  Uiso   1.00
H965   H     0.81390   0.34095   0.76895   0.00000  Uiso   1.00
H966   H     0.82252   0.30474   0.73695   0.00000  Uiso   1.00
H967   H     0.74758   0.26694   0.75845   0.00000  Uiso   1.00
H968   H     0.73622   0.30535   0.78853   0.00000  Uiso   1.00
H969   H     0.74801   0.31430   0.83485   0.00000  Uiso   1.00
H970   H     0.76087   0.32159   0.88285   0.00000  Uiso   1.00
H971   H     0.81756   0.38679   0.86126   0.00000  Uiso   1.00
H972   H     0.80026   0.38565   0.81457   0.00000  Uiso   1.00
H973   H     0.71217   0.36175   0.81805   0.00000  Uiso   1.00
H974   H     0.68378   0.39718   0.80427   0.00000  Uiso   1.00
H975   H     0.73233   0.41783   0.73454   0.00000  Uiso   1.00
H976   H     0.76502   0.38077   0.75120   0.00000  Uiso   1.00
H977   H     0.82850   0.24385   0.67507   0.00000  Uiso   1.00
H980   H     0.75657   0.20925   0.70437   0.00000  Uiso   1.00
H981   H     0.67759   0.47080   0.70816   0.00000  Uiso   1.00
H983   H     0.63106   0.46301   0.77907   0.00000  Uiso   1.00
C1430  C     0.99805   0.37212   0.93825   0.00000  Uiso   1.00
C1431  C     0.82379   0.37426   0.93394   0.00000  Uiso   1.00
C1432  C     0.79889   0.35586   0.90131   0.00000  Uiso   1.00
C1435  C     0.78991   0.26100   0.72618   0.00000  Uiso   1.00
C1437  C     0.68740   0.43232   0.76033   0.00000  Uiso   1.00
C1438  C     0.85300   0.39374   0.97084   0.00000  Uiso   1.00
C1443  C     0.85149   0.41375   0.92548   0.00000  Uiso   1.00
C1446  C     0.87452   0.42882   0.93287   0.00000  Uiso   1.00
C1450  C     0.94162   0.42022   0.92944   0.00000  Uiso   1.00
C1453  C     0.96211   0.40109   0.92274   0.00000  Uiso   1.00
C1455  C     0.79697   0.32651   0.76524   0.00000  Uiso   1.00
C1456  C     0.97269   0.39987   0.97108   0.00000  Uiso   1.00
C1457  C     0.80319   0.30397   0.74753   0.00000  Uiso   1.00
C1458  C     0.76205   0.28281   0.76060   0.00000  Uiso   1.00
C1459  C     0.95115   0.41662   0.97672   0.00000  Uiso   1.00
C1460  C     0.75388   0.30474   0.77677   0.00000  Uiso   1.00
C1461  C     0.89661   0.47635   0.99531   0.00000  Uiso   1.00
C1462  C     0.76248   0.33095   0.84054   0.00000  Uiso   1.00
C1463  C     0.76841   0.33603   0.86798   0.00000  Uiso   1.00
C1465  C     0.80028   0.37340   0.85574   0.00000  Uiso   1.00
C1467  C     0.79167   0.37100   0.82908   0.00000  Uiso   1.00
C1468  C     0.71882   0.37340   0.80001   0.00000  Uiso   1.00
C1470  C     0.70217   0.39611   0.79282   0.00000  Uiso   1.00
C1471  C     0.72875   0.40816   0.75440   0.00000  Uiso   1.00
C1473  C     0.74774   0.38643   0.76259   0.00000  Uiso   1.00
C1478  C     0.87406   0.41131   0.97772   0.00000  Uiso   1.00
C1484  C     0.92579   0.49190   0.95978   0.00000  Uiso   1.00
C1488  C     0.70540   0.41268   0.76994   0.00000  Uiso   1.00
C1489  C     0.78605   0.28195   0.74534   0.00000  Uiso   1.00
C1491  C     0.84184   0.39372   0.94365   0.00000  Uiso   1.00
C1495  C     0.97780   0.39114   0.94380   0.00000  Uiso   1.00
C1496  C     0.78838   0.35638   0.87483   0.00000  Uiso   1.00
N402   N     0.91194   0.44341   0.96214   0.00000  Uiso   1.00
N404   N     0.76295   0.34856   0.79431   0.00000  Uiso   1.00
C1502  C     0.74334   0.36954   0.78501   0.00000  Uiso   1.00
C1503  C     0.93591   0.42785   0.95558   0.00000  Uiso   1.00
C1505  C     0.77162   0.32673   0.77884   0.00000  Uiso   1.00
C1506  C     0.88635   0.42843   0.95845   0.00000  Uiso   1.00
C1508  C     0.91107   0.47104   0.97201   0.00000  Uiso   1.00
C1509  C     0.77332   0.35069   0.82159   0.00000  Uiso   1.00
H999   H     0.79667   0.13489   0.94203   0.00000  Uiso   1.00
H1000  H     0.83825   0.15964   0.93838   0.00000  Uiso   1.00
H1003  H     0.73960   0.06853   0.96502   0.00000  Uiso   1.00
H1004  H     0.69889   0.08011   0.94539   0.00000  Uiso   1.00
H1005  H     0.71904   0.16456   0.94418   0.00000  Uiso   1.00
H1006  H     0.76282   0.15454   0.96412   0.00000  Uiso   1.00
H1010  H     0.82230   0.07503   0.99749   0.00000  Uiso   1.00
H1011  H     0.62551   0.10317   0.90330   0.00000  Uiso   1.00
H1012  H     0.57556   0.26891   0.92825   0.00000  Uiso   1.00
H1013  H     0.56404   0.29202   0.97089   0.00000  Uiso   1.00
H1014  H     0.64546   0.32660   0.97372   0.00000  Uiso   1.00
H1015  H     0.65538   0.30412   0.93127   0.00000  Uiso   1.00
H1016  H     0.67048   0.25218   0.92093   0.00000  Uiso   1.00
H1017  H     0.68685   0.20624   0.92491   0.00000  Uiso   1.00
H1018  H     0.61292   0.18080   0.87932   0.00000  Uiso   1.00
H1019  H     0.59818   0.22778   0.87846   0.00000  Uiso   1.00
H1020  H     0.58753   0.30549   0.87753   0.00000  Uiso   1.00
H1021  H     0.59171   0.32698   0.83352   0.00000  Uiso   1.00
H1022  H     0.67684   0.30216   0.83229   0.00000  Uiso   1.00
H1023  H     0.66731   0.27464   0.87111   0.00000  Uiso   1.00
H1024  H     0.92134   0.19348   0.94201   0.00000  Uiso   1.00
H1044  H     0.60238   0.35017   0.75274   0.00000  Uiso   1.00
H1045  H     0.68543   0.32943   0.75510   0.00000  Uiso   1.00
N405   N     0.66333   0.10895   0.92522   0.00000  Uiso   1.00
N406   N     0.63862   0.14321   0.90444   0.00000  Uiso   1.00
N407   N     0.67891   0.15555   0.92172   0.00000  Uiso   1.00
N409   N     0.88661   0.17571   0.95823   0.00000  Uiso   1.00
N411   N     0.92599   0.18508   0.98345   0.00000  Uiso   1.00
N425   N     0.64582   0.34351   0.75013   0.00000  Uiso   1.00
N426   N     0.66307   0.32372   0.78912   0.00000  Uiso   1.00
N427   N     0.61813   0.33702   0.78796   0.00000  Uiso   1.00
C1512  C     0.87482   0.16560   0.97980   0.00000  Uiso   1.00
C1517  C     0.65556   0.16222   0.91035   0.00000  Uiso   1.00
C1518  C     0.68165   0.12962   0.92950   0.00000  Uiso   1.00
C1520  C     0.63896   0.32671   0.80055   0.00000  Uiso   1.00
C1523  C     0.91144   0.18579   0.96074   0.00000  Uiso   1.00
C1528  C     0.64211   0.11625   0.91057   0.00000  Uiso   1.00
C1533  C     0.66580   0.33030   0.76381   0.00000  Uiso   1.00
C1534  C     0.62218   0.34588   0.76257   0.00000  Uiso   1.00
N434   N     0.62378   0.27207   0.90180   0.00000  Uiso   1.00
C1542  C     0.65751   0.23644   0.91320   0.00000  Uiso   1.00
C1543  C     0.60908   0.31692   0.84026   0.00000  Uiso   1.00
C1544  C     0.74937   0.13745   0.96089   0.00000  Uiso   1.00
C1547  C     0.66733   0.20981   0.91468   0.00000  Uiso   1.00
C1549  C     0.65557   0.30162   0.84022   0.00000  Uiso   1.00
C1550  C     0.60569   0.30338   0.86522   0.00000  Uiso   1.00
C1553  C     0.80792   0.13721   0.95989   0.00000  Uiso   1.00
C1557  C     0.83258   0.15177   0.95827   0.00000  Uiso   1.00
C1570  C     0.73679   0.08962   0.96209   0.00000  Uiso   1.00
C1572  C     0.65217   0.28842   0.86449   0.00000  Uiso   1.00
C1573  C     0.71246   0.09635   0.95050   0.00000  Uiso   1.00
C1574  C     0.62652   0.19626   0.88813   0.00000  Uiso   1.00
C1576  C     0.63641   0.30094   0.94091   0.00000  Uiso   1.00
C1577  C     0.59123   0.28088   0.93895   0.00000  Uiso   1.00
C1580  C     0.72474   0.14381   0.94738   0.00000  Uiso   1.00
C1581  C     0.58459   0.29345   0.96385   0.00000  Uiso   1.00
C1582  C     0.61773   0.22365   0.88833   0.00000  Uiso   1.00
C1583  C     0.63048   0.31287   0.96491   0.00000  Uiso   1.00
C1588  C     0.65025   0.18985   0.90370   0.00000  Uiso   1.00
C1589  C     0.63486   0.31642   0.82715   0.00000  Uiso   1.00
C1590  C     0.70593   0.12275   0.94184   0.00000  Uiso   1.00
C1594  C     0.60367   0.31097   0.97637   0.00000  Uiso   1.00
C1595  C     0.84843   0.15340   0.98073   0.00000  Uiso   1.00
C1601  C     0.61789   0.28299   0.92801   0.00000  Uiso   1.00
C1602  C     0.63255   0.24354   0.90136   0.00000  Uiso   1.00
C1605  C     0.62632   0.28694   0.87726   0.00000  Uiso   1.00
N435   N     0.77842   0.10480   0.98373   0.00000  Uiso   1.00
C1606  C     0.80234   0.12251   0.98398   0.00000  Uiso   1.00
C1607  C     0.75575   0.11078   0.96851   0.00000  Uiso   1.00
N436   N     0.58869   0.43578   0.69832   0.00000  Uiso   1.00
N437   N     0.60587   0.41465   0.73614   0.00000  Uiso   1.00
N438   N     0.56563   0.43861   0.74013   0.00000  Uiso   1.00
N445   N     0.61173   0.47658   0.95324   0.00000  Uiso   1.00
N446   N     0.56595   0.47863   0.95685   0.00000  Uiso   1.00
N448   N     0.83133   0.45325   0.72694   0.00000  Uiso   1.00
N449   N     0.79402   0.46228   0.69925   0.00000  Uiso   1.00
N450   N     0.80776   0.41903   0.70821   0.00000  Uiso   1.00
N452   N     0.50525   0.28363   0.89036   0.00000  Uiso   1.00
N453   N     0.52634   0.29611   0.93223   0.00000  Uiso   1.00
C1609  C     0.58600   0.42379   0.75183   0.00000  Uiso   1.00
C1611  C     0.60740   0.42130   0.71046   0.00000  Uiso   1.00
C1612  C     0.56808   0.44437   0.71310   0.00000  Uiso   1.00
C1616  C     0.58754   0.46896   0.94439   0.00000  Uiso   1.00
C1617  C     0.79162   0.43556   0.69534   0.00000  Uiso   1.00
C1618  C     0.82801   0.42754   0.72306   0.00000  Uiso   1.00
C1619  C     0.52315   0.29817   0.90500   0.00000  Uiso   1.00
C1624  C     0.62890   0.41871   0.66552   0.00000  Uiso   1.00
C1625  C     0.65158   0.41180   0.64987   0.00000  Uiso   1.00
C1626  C     0.74324   0.38524   0.66389   0.00000  Uiso   1.00
C1627  C     0.76639   0.39657   0.67635   0.00000  Uiso   1.00
C1628  C     0.75016   0.44110   0.66697   0.00000  Uiso   1.00
C1629  C     0.72701   0.42932   0.65371   0.00000  Uiso   1.00
C1630  C     0.69365   0.34759   0.62214   0.00000  Uiso   1.00
C1631  C     0.69313   0.33106   0.59885   0.00000  Uiso   1.00
C1632  C     0.69602   0.34351   0.57307   0.00000  Uiso   1.00
C1633  C     0.69753   0.37163   0.57023   0.00000  Uiso   1.00
C1634  C     0.69803   0.38817   0.59385   0.00000  Uiso   1.00
C1639  C     0.54856   0.34712   0.85318   0.00000  Uiso   1.00
C1640  C     0.53520   0.32450   0.86477   0.00000  Uiso   1.00
C1641  C     0.55693   0.33436   0.90816   0.00000  Uiso   1.00
C1642  C     0.57197   0.35464   0.89544   0.00000  Uiso   1.00
C1643  C     0.60502   0.42140   0.88703   0.00000  Uiso   1.00
C1644  C     0.60774   0.43996   0.90875   0.00000  Uiso   1.00
C1645  C     0.55925   0.43690   0.91732   0.00000  Uiso   1.00
C1646  C     0.55682   0.41940   0.89535   0.00000  Uiso   1.00
C1647  C     0.55857   0.41818   0.82113   0.00000  Uiso   1.00
C1648  C     0.56239   0.42691   0.79554   0.00000  Uiso   1.00
C1649  C     0.60386   0.40074   0.79102   0.00000  Uiso   1.00
C1650  C     0.59931   0.39131   0.81772   0.00000  Uiso   1.00
C1655  C     0.52398   0.47440   0.65840   0.00000  Uiso   1.00
C1668  C     0.54729   0.46424   0.67107   0.00000  Uiso   1.00
C1669  C     0.67377   0.39133   0.68973   0.00000  Uiso   1.00
C1670  C     0.52534   0.46813   0.71508   0.00000  Uiso   1.00
C1671  C     0.65256   0.40072   0.70643   0.00000  Uiso   1.00
C1699  C     0.50142   0.47593   0.70186   0.00000  Uiso   1.00
C1700  C     0.88461   0.40326   0.76672   0.00000  Uiso   1.00
C1701  C     0.86562   0.42150   0.75415   0.00000  Uiso   1.00
C1702  C     0.84248   0.38259   0.73653   0.00000  Uiso   1.00
C1703  C     0.86201   0.36421   0.74787   0.00000  Uiso   1.00
C1704  C     0.89372   0.30531   0.78030   0.00000  Uiso   1.00
C1705  C     0.87658   0.28428   0.78868   0.00000  Uiso   1.00
C1706  C     0.85460   0.28927   0.80665   0.00000  Uiso   1.00
C1707  C     0.85071   0.31694   0.81516   0.00000  Uiso   1.00
C1708  C     0.86819   0.33712   0.80705   0.00000  Uiso   1.00
C1709  C     0.94261   0.36772   0.80325   0.00000  Uiso   1.00
C1710  C     0.97103   0.37277   0.80408   0.00000  Uiso   1.00
C1711  C     0.98735   0.36440   0.78216   0.00000  Uiso   1.00
C1712  C     0.97493   0.35686   0.75646   0.00000  Uiso   1.00
C1713  C     0.94616   0.35698   0.75512   0.00000  Uiso   1.00
H1054  H     0.71188   0.44286   0.64597   0.00000  Uiso   1.00
H1062  H     0.74229   0.36324   0.66322   0.00000  Uiso   1.00
H1064  H     0.54264   0.35222   0.83298   0.00000  Uiso   1.00
H1066  H     0.69157   0.33726   0.64094   0.00000  Uiso   1.00
H1068  H     0.52679   0.47958   0.63655   0.00000  Uiso   1.00
H1070  H     0.52279   0.31122   0.85176   0.00000  Uiso   1.00
H1072  H     0.56322   0.45975   0.65624   0.00000  Uiso   1.00
H1074  H     0.69150   0.38291   0.70057   0.00000  Uiso   1.00
H1075  H     0.64862   0.41794   0.62830   0.00000  Uiso   1.00
H1076  H     0.56328   0.33033   0.92851   0.00000  Uiso   1.00
H1077  H     0.52548   0.46741   0.73738   0.00000  Uiso   1.00
H1078  H     0.69282   0.30970   0.60219   0.00000  Uiso   1.00
H1080  H     0.58813   0.36588   0.90493   0.00000  Uiso   1.00
H1083  H     0.77868   0.38177   0.68670   0.00000  Uiso   1.00
H1085  H     0.62371   0.41375   0.87903   0.00000  Uiso   1.00
H1087  H     0.70009   0.33061   0.55577   0.00000  Uiso   1.00
H1089  H     0.62783   0.44768   0.91437   0.00000  Uiso   1.00
H1093  H     0.54171   0.44700   0.92624   0.00000  Uiso   1.00
H1095  H     0.69885   0.38006   0.54898   0.00000  Uiso   1.00
H1097  H     0.53821   0.41245   0.88819   0.00000  Uiso   1.00
H1101  H     0.53990   0.42619   0.83144   0.00000  Uiso   1.00
H1103  H     0.70110   0.40894   0.59115   0.00000  Uiso   1.00
H1105  H     0.54589   0.44022   0.78741   0.00000  Uiso   1.00
H1109  H     0.62228   0.39576   0.77951   0.00000  Uiso   1.00
H1111  H     0.75228   0.46296   0.66935   0.00000  Uiso   1.00
H1113  H     0.61362   0.37815   0.82653   0.00000  Uiso   1.00
H1120  H     0.61262   0.43100   0.65625   0.00000  Uiso   1.00
H1127  H     0.65328   0.39405   0.72834   0.00000  Uiso   1.00
H1129  H     0.90096   0.41239   0.77820   0.00000  Uiso   1.00
H1130  H     0.86833   0.44263   0.75713   0.00000  Uiso   1.00
H1131  H     0.82858   0.37172   0.72328   0.00000  Uiso   1.00
H1132  H     0.85794   0.34286   0.74627   0.00000  Uiso   1.00
H1133  H     0.91076   0.30143   0.76767   0.00000  Uiso   1.00
H1134  H     0.81756   0.49341   0.71630   0.00000  Uiso   1.00
H1135  H     0.88284   0.26401   0.78327   0.00000  Uiso   1.00
H1137  H     0.84069   0.27479   0.81559   0.00000  Uiso   1.00
H1139  H     0.83179   0.32154   0.82488   0.00000  Uiso   1.00
H1141  H     0.86406   0.35712   0.81224   0.00000  Uiso   1.00
H1142  H     0.93066   0.36798   0.82168   0.00000  Uiso   1.00
H1143  H     0.50947   0.27525   0.96744   0.00000  Uiso   1.00
H1144  H     0.98001   0.38007   0.82293   0.00000  Uiso   1.00
H1147  H     0.98899   0.35094   0.74064   0.00000  Uiso   1.00
H1149  H     0.93717   0.35123   0.73596   0.00000  Uiso   1.00
C1714  C     0.53817   0.31835   0.89211   0.00000  Uiso   1.00
C1715  C     0.58517   0.44819   0.92428   0.00000  Uiso   1.00
C1716  C     0.77020   0.42505   0.67976   0.00000  Uiso   1.00
C1717  C     0.54683   0.45935   0.69943   0.00000  Uiso   1.00
C1721  C     0.62938   0.41223   0.69498   0.00000  Uiso   1.00
C1723  C     0.84434   0.41043   0.73805   0.00000  Uiso   1.00
C1728  C     0.58378   0.41664   0.77939   0.00000  Uiso   1.00
C1729  C     0.50023   0.47790   0.67381   0.00000  Uiso   1.00
N464   N     0.90266   0.35807   0.77666   0.00000  Uiso   1.00
N465   N     0.57560   0.39061   0.86011   0.00000  Uiso   1.00
N467   N     0.69675   0.39059   0.64412   0.00000  Uiso   1.00
C1733  C     0.67454   0.39796   0.66126   0.00000  Uiso   1.00
C1734  C     0.72221   0.40109   0.65388   0.00000  Uiso   1.00
C1735  C     0.88296   0.37457   0.76441   0.00000  Uiso   1.00
C1736  C     0.57926   0.41035   0.88098   0.00000  Uiso   1.00
C1737  C     0.57597   0.39834   0.83219   0.00000  Uiso   1.00
C1739  C     0.56579   0.36405   0.86894   0.00000  Uiso   1.00
C1743  C     0.88871   0.33308   0.78764   0.00000  Uiso   1.00
C1745  C     0.69700   0.37564   0.62003   0.00000  Uiso   1.00
C1749  C     0.93076   0.36058   0.77822   0.00000  Uiso   1.00
C1753  C     0.61355   0.49523   0.97229   0.00000  Uiso   1.00
C1754  C     0.81369   0.47117   0.71559   0.00000  Uiso   1.00
C1756  C     0.50975   0.27779   0.94395   0.00000  Uiso   1.00
C1761  C     0.56951   0.49839   0.97517   0.00000  Uiso   1.00
H92    H     0.27461   0.52170   0.51633   0.00000  Uiso   1.00
H93    H     0.32331   0.51037   0.53159   0.00000  Uiso   1.00
C173   C     0.28356   0.50148   0.51488   0.00000  Uiso   1.00
H301   H     0.34090   0.97437   0.54673   0.00000  Uiso   1.00
H302   H     0.33942   0.93391   0.57119   0.00000  Uiso   1.00
H303   H     0.36436   0.93076   0.61894   0.00000  Uiso   1.00
H304   H     0.38353   0.97070   0.63729   0.00000  Uiso   1.00
C427   C     0.35990   0.99813   0.57825   0.00000  Uiso   1.00
C429   C     0.35048   0.97489   0.56653   0.00000  Uiso   1.00
C430   C     0.34931   0.94975   0.58122   0.00000  Uiso   1.00
C432   C     0.36173   0.94803   0.60674   0.00000  Uiso   1.00
C434   C     0.37349   0.97107   0.61673   0.00000  Uiso   1.00
C472   C     0.37151   0.99723   0.60428   0.00000  Uiso   1.00
N208   N     0.35506   0.58237   0.85414   0.00000  Uiso   1.00
N209   N     0.39720   0.56186   0.84573   0.00000  Uiso   1.00
N210   N     0.37636   0.58573   0.81137   0.00000  Uiso   1.00
N217   N     0.20333   0.65379   0.51574   0.00000  Uiso   1.00
C712   C     0.37611   0.56667   0.86119   0.00000  Uiso   1.00
C713   C     0.39714   0.57087   0.82053   0.00000  Uiso   1.00
C724   C     0.35665   0.59072   0.82853   0.00000  Uiso   1.00
C729   C     0.19161   0.62974   0.51995   0.00000  Uiso   1.00
H466   H     0.41671   0.51652   0.92706   0.00000  Uiso   1.00
H467   H     0.41664   0.53473   0.88330   0.00000  Uiso   1.00
H468   H     0.33820   0.57159   0.89838   0.00000  Uiso   1.00
H469   H     0.33900   0.55412   0.94714   0.00000  Uiso   1.00
H475   H     0.33863   0.60256   0.82082   0.00000  Uiso   1.00
H499   H     0.46404   0.60220   0.76140   0.00000  Uiso   1.00
H500   H     0.41610   0.60093   0.77690   0.00000  Uiso   1.00
H501   H     0.43922   0.54331   0.83733   0.00000  Uiso   1.00
H502   H     0.48451   0.54429   0.82138   0.00000  Uiso   1.00
H503   H     0.48629   0.54518   0.73972   0.00000  Uiso   1.00
H504   H     0.49833   0.55037   0.69064   0.00000  Uiso   1.00
H525   H     0.18583   0.62303   0.54009   0.00000  Uiso   1.00
C744   C     0.45694   0.58794   0.77619   0.00000  Uiso   1.00
C746   C     0.42961   0.58747   0.78558   0.00000  Uiso   1.00
C748   C     0.44237   0.55449   0.81831   0.00000  Uiso   1.00
C749   C     0.46980   0.55474   0.80964   0.00000  Uiso   1.00
C750   C     0.39807   0.52882   0.92235   0.00000  Uiso   1.00
C758   C     0.39744   0.53856   0.89512   0.00000  Uiso   1.00
C770   C     0.35524   0.56087   0.90589   0.00000  Uiso   1.00
C779   C     0.35447   0.54972   0.93169   0.00000  Uiso   1.00
C798   C     0.42293   0.57114   0.80713   0.00000  Uiso   1.00
C799   C     0.37577   0.55416   0.88699   0.00000  Uiso   1.00
N227   N     0.37838   0.52478   0.96944   0.00000  Uiso   1.00
C814   C     0.47640   0.57241   0.78935   0.00000  Uiso   1.00
C817   C     0.40312   0.51978   0.98462   0.00000  Uiso   1.00
C818   C     0.35577   0.51461   0.98348   0.00000  Uiso   1.00
C822   C     0.37771   0.53439   0.94242   0.00000  Uiso   1.00
N252   N     0.43894   0.99590   0.77145   0.00000  Uiso   1.00
C836   C     0.43311   0.98957   0.79739   0.00000  Uiso   1.00
H606   H     0.43043   0.96745   0.80181   0.00000  Uiso   1.00
N275   N     0.26500   0.57198   0.58528   0.00000  Uiso   1.00
N276   N     0.30930   0.56232   0.59825   0.00000  Uiso   1.00
N277   N     0.27401   0.52885   0.59813   0.00000  Uiso   1.00
C950   C     0.30045   0.53716   0.60186   0.00000  Uiso   1.00
C951   C     0.25705   0.54653   0.58859   0.00000  Uiso   1.00
C1010  C     0.34766   0.52183   0.60079   0.00000  Uiso   1.00
C1026  C     0.18319   0.55263   0.57062   0.00000  Uiso   1.00
C1027  C     0.21072   0.56040   0.57413   0.00000  Uiso   1.00
C1028  C     0.22110   0.51242   0.58386   0.00000  Uiso   1.00
C1029  C     0.19375   0.50600   0.57871   0.00000  Uiso   1.00
C1030  C     0.11683   0.55405   0.59072   0.00000  Uiso   1.00
C1031  C     0.10515   0.56758   0.61195   0.00000  Uiso   1.00
C1032  C     0.10664   0.55629   0.63759   0.00000  Uiso   1.00
C1033  C     0.12110   0.53230   0.64314   0.00000  Uiso   1.00
C1034  C     0.13500   0.52061   0.62037   0.00000  Uiso   1.00
C1039  C     0.13032   0.50407   0.52958   0.00000  Uiso   1.00
H644   H     0.38787   0.50349   0.59114   0.00000  Uiso   1.00
H645   H     0.35378   0.54226   0.59469   0.00000  Uiso   1.00
H662   H     0.29573   0.60001   0.58655   0.00000  Uiso   1.00
H677   H     0.16855   0.56645   0.56214   0.00000  Uiso   1.00
H679   H     0.21572   0.58131   0.57368   0.00000  Uiso   1.00
H683   H     0.11366   0.56381   0.57173   0.00000  Uiso   1.00
H685   H     0.09396   0.58518   0.60802   0.00000  Uiso   1.00
H686   H     0.09493   0.56660   0.65273   0.00000  Uiso   1.00
H688   H     0.12160   0.52509   0.66342   0.00000  Uiso   1.00
H690   H     0.14761   0.50291   0.62341   0.00000  Uiso   1.00
H700   H     0.13345   0.52350   0.52265   0.00000  Uiso   1.00
C1048  C     0.22987   0.53964   0.58258   0.00000  Uiso   1.00
C1055  C     0.32019   0.51675   0.60492   0.00000  Uiso   1.00
N296   N     0.14659   0.51750   0.57247   0.00000  Uiso   1.00
C1068  C     0.13072   0.52894   0.59415   0.00000  Uiso   1.00
C1078  C     0.17433   0.52597   0.57277   0.00000  Uiso   1.00
C1098  C     0.29048   0.57959   0.59153   0.00000  Uiso   1.00
H738   H     0.36199   0.50545   0.79842   0.00000  Uiso   1.00
H739   H     0.40994   0.50606   0.80826   0.00000  Uiso   1.00
H758   H     0.46265   0.53013   0.94625   0.00000  Uiso   1.00
H774   H     0.16799   0.50569   0.83537   0.00000  Uiso   1.00
H775   H     0.12141   0.52535   0.82173   0.00000  Uiso   1.00
H776   H     0.11503   0.57299   0.80592   0.00000  Uiso   1.00
H777   H     0.15822   0.59931   0.79974   0.00000  Uiso   1.00
H778   H     0.20350   0.58083   0.81717   0.00000  Uiso   1.00
H781   H     0.21994   0.56022   0.92390   0.00000  Uiso   1.00
H782   H     0.21266   0.56693   0.87383   0.00000  Uiso   1.00
H783   H     0.21026   0.51582   0.78248   0.00000  Uiso   1.00
H784   H     0.24354   0.50549   0.75042   0.00000  Uiso   1.00
H785   H     0.30658   0.52287   0.80925   0.00000  Uiso   1.00
H786   H     0.26883   0.53734   0.84462   0.00000  Uiso   1.00
N316   N     0.46969   0.50928   0.91194   0.00000  Uiso   1.00
N323   N     0.22326   0.53465   0.96550   0.00000  Uiso   1.00
C1107  C     0.47903   0.51946   0.93515   0.00000  Uiso   1.00
C1110  C     0.22225   0.52911   0.99210   0.00000  Uiso   1.00
C1118  C     0.48838   0.50306   0.89281   0.00000  Uiso   1.00
C1122  C     0.22757   0.51426   0.94845   0.00000  Uiso   1.00
N326   N     0.21406   0.53145   0.83538   0.00000  Uiso   1.00
C1161  C     0.16549   0.52574   0.82663   0.00000  Uiso   1.00
C1162  C     0.13960   0.53773   0.82036   0.00000  Uiso   1.00
C1164  C     0.13582   0.56564   0.81258   0.00000  Uiso   1.00
C1165  C     0.16042   0.57950   0.80877   0.00000  Uiso   1.00
C1167  C     0.18547   0.56930   0.81776   0.00000  Uiso   1.00
C1172  C     0.22345   0.54291   0.90952   0.00000  Uiso   1.00
C1173  C     0.21674   0.54657   0.88133   0.00000  Uiso   1.00
C1175  C     0.23047   0.51920   0.78997   0.00000  Uiso   1.00
C1176  C     0.25048   0.51229   0.77066   0.00000  Uiso   1.00
C1177  C     0.28455   0.52276   0.80560   0.00000  Uiso   1.00
C1179  C     0.26328   0.53093   0.82432   0.00000  Uiso   1.00
C1187  C     0.22660   0.51631   0.92005   0.00000  Uiso   1.00
C1193  C     0.27771   0.51210   0.77897   0.00000  Uiso   1.00
C1203  C     0.23633   0.52646   0.81667   0.00000  Uiso   1.00
C1205  C     0.21829   0.52494   0.86279   0.00000  Uiso   1.00
C1209  C     0.18893   0.54154   0.82615   0.00000  Uiso   1.00
N367   N     0.40428   0.58030   0.67167   0.00000  Uiso   1.00
N368   N     0.43897   0.59749   0.64576   0.00000  Uiso   1.00
N369   N     0.40759   0.56970   0.62533   0.00000  Uiso   1.00
C1333  C     0.42958   0.58363   0.62464   0.00000  Uiso   1.00
C1344  C     0.47709   0.60805   0.56859   0.00000  Uiso   1.00
C1345  C     0.46483   0.60516   0.59443   0.00000  Uiso   1.00
C1346  C     0.43435   0.57043   0.57773   0.00000  Uiso   1.00
C1347  C     0.44580   0.57515   0.55190   0.00000  Uiso   1.00
H870   H     0.45321   0.64501   0.51112   0.00000  Uiso   1.00
H874   H     0.49423   0.62120   0.56537   0.00000  Uiso   1.00
H878   H     0.46951   0.61718   0.61280   0.00000  Uiso   1.00
H885   H     0.41804   0.55568   0.58099   0.00000  Uiso   1.00
H888   H     0.43851   0.56486   0.53374   0.00000  Uiso   1.00
H914   H     0.37675   0.55635   0.65492   0.00000  Uiso   1.00
H916   H     0.43436   0.60410   0.68577   0.00000  Uiso   1.00
C1390  C     0.44344   0.58590   0.59967   0.00000  Uiso   1.00
N375   N     0.47645   0.59693   0.51987   0.00000  Uiso   1.00
C1404  C     0.46701   0.59319   0.54681   0.00000  Uiso   1.00
C1408  C     0.42534   0.59480   0.66886   0.00000  Uiso   1.00
C1409  C     0.39522   0.56787   0.65028   0.00000  Uiso   1.00
N442   N     0.38939   0.54787   0.73611   0.00000  Uiso   1.00
N443   N     0.34201   0.55552   0.74022   0.00000  Uiso   1.00
N444   N     0.35968   0.52744   0.70570   0.00000  Uiso   1.00
N454   N     0.27914   0.62124   0.53107   0.00000  Uiso   1.00
N455   N     0.26482   0.66544   0.53633   0.00000  Uiso   1.00
N456   N     0.29522   0.65437   0.50180   0.00000  Uiso   1.00
N460   N     0.17055   0.67932   0.61397   0.00000  Uiso   1.00
N461   N     0.20864   0.65336   0.62586   0.00000  Uiso   1.00
N462   N     0.16344   0.63679   0.63071   0.00000  Uiso   1.00
C1614  C     0.33862   0.53961   0.71678   0.00000  Uiso   1.00
C1615  C     0.38562   0.53268   0.71456   0.00000  Uiso   1.00
C1620  C     0.29521   0.62837   0.51071   0.00000  Uiso   1.00
C1623  C     0.19086   0.63339   0.63201   0.00000  Uiso   1.00
C1651  C     0.40370   0.50323   0.67850   0.00000  Uiso   1.00
C1653  C     0.43469   0.52432   0.71130   0.00000  Uiso   1.00
C1654  C     0.45668   0.51081   0.69842   0.00000  Uiso   1.00
C1661  C     0.40172   0.51963   0.51182   0.00000  Uiso   1.00
C1666  C     0.31118   0.58327   0.50310   0.00000  Uiso   1.00
C1672  C     0.19353   0.56222   0.66130   0.00000  Uiso   1.00
C1673  C     0.18504   0.58669   0.64897   0.00000  Uiso   1.00
C1674  C     0.23074   0.60442   0.64535   0.00000  Uiso   1.00
C1675  C     0.23991   0.58008   0.65522   0.00000  Uiso   1.00
C1681  C     0.26631   0.55375   0.70741   0.00000  Uiso   1.00
C1682  C     0.29334   0.55562   0.71538   0.00000  Uiso   1.00
C1683  C     0.30684   0.52053   0.68241   0.00000  Uiso   1.00
C1684  C     0.27946   0.51867   0.67585   0.00000  Uiso   1.00
H1052  H     0.37115   0.56785   0.76763   0.00000  Uiso   1.00
H1055  H     0.36824   0.54695   0.51004   0.00000  Uiso   1.00
H1056  H     0.40462   0.51942   0.53399   0.00000  Uiso   1.00
H1059  H     0.43657   0.50822   0.58010   0.00000  Uiso   1.00
H1065  H     0.29803   0.57661   0.51772   0.00000  Uiso   1.00
H1069  H     0.25194   0.63549   0.56086   0.00000  Uiso   1.00
H1071  H     0.28094   0.69252   0.50691   0.00000  Uiso   1.00
H1079  H     0.17556   0.54992   0.66797   0.00000  Uiso   1.00
H1081  H     0.16327   0.58967   0.64804   0.00000  Uiso   1.00
H1082  H     0.24634   0.61815   0.64062   0.00000  Uiso   1.00
H1084  H     0.26185   0.58061   0.65624   0.00000  Uiso   1.00
H1086  H     0.22800   0.50453   0.63256   0.00000  Uiso   1.00
H1092  H     0.20510   0.50748   0.71586   0.00000  Uiso   1.00
H1094  H     0.24984   0.56671   0.71584   0.00000  Uiso   1.00
H1096  H     0.29949   0.57109   0.73105   0.00000  Uiso   1.00
H1098  H     0.32127   0.50763   0.67201   0.00000  Uiso   1.00
H1099  H     0.27237   0.50512   0.65974   0.00000  Uiso   1.00
H1124  H     0.13104   0.65845   0.61729   0.00000  Uiso   1.00
H1125  H     0.21151   0.69399   0.61248   0.00000  Uiso   1.00
H1136  H     0.43754   0.53556   0.72969   0.00000  Uiso   1.00
H1138  H     0.44356   0.51409   0.62803   0.00000  Uiso   1.00
H1145  H     0.47617   0.51622   0.70579   0.00000  Uiso   1.00
C1720  C     0.31302   0.53894   0.70490   0.00000  Uiso   1.00
C1722  C     0.40801   0.51993   0.70106   0.00000  Uiso   1.00
C1726  C     0.20166   0.60847   0.64292   0.00000  Uiso   1.00
N468   N     0.23229   0.53391   0.67552   0.00000  Uiso   1.00
C1744  C     0.21651   0.51016   0.67389   0.00000  Uiso   1.00
C1746  C     0.22163   0.55881   0.66419   0.00000  Uiso   1.00
C1747  C     0.25937   0.53520   0.68665   0.00000  Uiso   1.00
C1751  C     0.19797   0.67675   0.61641   0.00000  Uiso   1.00
C1752  C     0.26481   0.63977   0.54409   0.00000  Uiso   1.00
C1755  C     0.36764   0.55810   0.74850   0.00000  Uiso   1.00
C1758  C     0.27977   0.67241   0.51553   0.00000  Uiso   1.00
C1760  C     0.15365   0.65909   0.61946   0.00000  Uiso   1.00
H220   H     0.63859   0.90373   0.54163   0.00000  Uiso   1.00
H221   H     0.68113   0.91195   0.56193   0.00000  Uiso   1.00
H222   H     0.72324   0.91685   0.53366   0.00000  Uiso   1.00
C312   C     0.65238   0.90646   0.50032   0.00000  Uiso   1.00
C313   C     0.65591   0.90577   0.52856   0.00000  Uiso   1.00
C315   C     0.68138   0.90981   0.53983   0.00000  Uiso   1.00
C316   C     0.70379   0.91395   0.52361   0.00000  Uiso   1.00
N187   N     0.58975   0.51414   0.64682   0.00000  Uiso   1.00
N189   N     0.59735   0.52789   0.69152   0.00000  Uiso   1.00
H448   H     0.56546   0.54175   0.66679   0.00000  Uiso   1.00
H451   H     0.63317   0.51081   0.70840   0.00000  Uiso   1.00
C692   C     0.61895   0.51100   0.69125   0.00000  Uiso   1.00
C694   C     0.58366   0.52881   0.66898   0.00000  Uiso   1.00
N214   N     0.54689   0.59188   0.61545   0.00000  Uiso   1.00
N215   N     0.52213   0.57066   0.64971   0.00000  Uiso   1.00
N216   N     0.54996   0.60622   0.66008   0.00000  Uiso   1.00
N220   N     0.58791   0.54508   0.87559   0.00000  Uiso   1.00
N221   N     0.61870   0.51125   0.88732   0.00000  Uiso   1.00
N222   N     0.59379   0.50862   0.84745   0.00000  Uiso   1.00
C716   C     0.53177   0.58805   0.66755   0.00000  Uiso   1.00
C718   C     0.58389   0.53266   0.85258   0.00000  Uiso   1.00
C726   C     0.52802   0.57404   0.62400   0.00000  Uiso   1.00
C727   C     0.55896   0.60637   0.63552   0.00000  Uiso   1.00
C730   C     0.60572   0.53410   0.89237   0.00000  Uiso   1.00
H495   H     0.52713   0.60236   0.82333   0.00000  Uiso   1.00
H496   H     0.56533   0.58222   0.85359   0.00000  Uiso   1.00
H497   H     0.56378   0.50801   0.80975   0.00000  Uiso   1.00
H498   H     0.52597   0.52485   0.77899   0.00000  Uiso   1.00
H505   H     0.54752   0.61833   0.70900   0.00000  Uiso   1.00
H506   H     0.53892   0.61151   0.75886   0.00000  Uiso   1.00
H507   H     0.57766   0.61755   0.63129   0.00000  Uiso   1.00
H509   H     0.52040   0.55840   0.61091   0.00000  Uiso   1.00
H531   H     0.60813   0.54538   0.91206   0.00000  Uiso   1.00
C738   C     0.53562   0.58086   0.81998   0.00000  Uiso   1.00
C739   C     0.55615   0.57055   0.83838   0.00000  Uiso   1.00
C741   C     0.55589   0.52873   0.81165   0.00000  Uiso   1.00
C742   C     0.53478   0.53849   0.79441   0.00000  Uiso   1.00
C751   C     0.50026   0.56061   0.73233   0.00000  Uiso   1.00
C752   C     0.50821   0.56491   0.70493   0.00000  Uiso   1.00
C754   C     0.53422   0.60261   0.71635   0.00000  Uiso   1.00
C756   C     0.52939   0.59890   0.74456   0.00000  Uiso   1.00
C797   C     0.52485   0.58485   0.69579   0.00000  Uiso   1.00
C801   C     0.56559   0.54435   0.83316   0.00000  Uiso   1.00
N224   N     0.50372   0.57471   0.78031   0.00000  Uiso   1.00
C811   C     0.52539   0.56402   0.79844   0.00000  Uiso   1.00
C816   C     0.51180   0.57840   0.75210   0.00000  Uiso   1.00
H759   H     0.54339   0.52072   0.92665   0.00000  Uiso   1.00
N317   N     0.51561   0.50450   0.89827   0.00000  Uiso   1.00
N318   N     0.50507   0.52578   0.94000   0.00000  Uiso   1.00
C1106  C     0.52160   0.51596   0.92174   0.00000  Uiso   1.00
N329   N     0.69494   0.55974   0.51083   0.00000  Uiso   1.00
N332   N     0.81987   0.56943   0.70684   0.00000  Uiso   1.00
N333   N     0.79589   0.56756   0.74763   0.00000  Uiso   1.00
N334   N     0.77977   0.54599   0.70896   0.00000  Uiso   1.00
N349   N     0.68717   0.51032   0.91515   0.00000  Uiso   1.00
C1214  C     0.72084   0.56752   0.50978   0.00000  Uiso   1.00
C1215  C     0.77747   0.55262   0.73581   0.00000  Uiso   1.00
C1217  C     0.79980   0.55645   0.69437   0.00000  Uiso   1.00
C1241  C     0.83834   0.51178   0.55811   0.00000  Uiso   1.00
C1242  C     0.77651   0.52575   0.63064   0.00000  Uiso   1.00
C1243  C     0.77603   0.53550   0.65653   0.00000  Uiso   1.00
C1244  C     0.81877   0.55813   0.64731   0.00000  Uiso   1.00
C1245  C     0.81988   0.54638   0.62265   0.00000  Uiso   1.00
C1246  C     0.74908   0.53053   0.56864   0.00000  Uiso   1.00
C1247  C     0.72962   0.54285   0.55146   0.00000  Uiso   1.00
C1248  C     0.76580   0.56862   0.53109   0.00000  Uiso   1.00
C1249  C     0.78512   0.55466   0.54700   0.00000  Uiso   1.00
C1250  C     0.53644   0.50194   0.52949   0.00000  Uiso   1.00
C1251  C     0.61623   0.53128   0.51594   0.00000  Uiso   1.00
C1253  C     0.63351   0.53709   0.76708   0.00000  Uiso   1.00
C1254  C     0.60893   0.55098   0.76120   0.00000  Uiso   1.00
C1255  C     0.60772   0.57904   0.76585   0.00000  Uiso   1.00
C1256  C     0.63049   0.59379   0.77459   0.00000  Uiso   1.00
C1257  C     0.65507   0.57981   0.78095   0.00000  Uiso   1.00
C1260  C     0.67988   0.52901   0.86490   0.00000  Uiso   1.00
C1261  C     0.68079   0.53910   0.83839   0.00000  Uiso   1.00
C1262  C     0.72670   0.54923   0.79042   0.00000  Uiso   1.00
C1263  C     0.75208   0.55139   0.77870   0.00000  Uiso   1.00
C1264  C     0.73445   0.52889   0.74051   0.00000  Uiso   1.00
C1265  C     0.70927   0.52397   0.75267   0.00000  Uiso   1.00
C1267  C     0.64242   0.54056   0.51373   0.00000  Uiso   1.00
C1283  C     0.56971   0.53364   0.54843   0.00000  Uiso   1.00
C1284  C     0.55984   0.52725   0.57362   0.00000  Uiso   1.00
C1285  C     0.54001   0.50769   0.57862   0.00000  Uiso   1.00
H790   H     0.83265   0.58907   0.74023   0.00000  Uiso   1.00
H796   H     0.61277   0.51961   0.53395   0.00000  Uiso   1.00
H799   H     0.63517   0.51376   0.76784   0.00000  Uiso   1.00
H801   H     0.59136   0.53828   0.75532   0.00000  Uiso   1.00
H802   H     0.58881   0.58954   0.76198   0.00000  Uiso   1.00
H803   H     0.63034   0.61581   0.77636   0.00000  Uiso   1.00
H805   H     0.67365   0.58974   0.78818   0.00000  Uiso   1.00
H810   H     0.68292   0.54308   0.88235   0.00000  Uiso   1.00
H812   H     0.68201   0.56157   0.83343   0.00000  Uiso   1.00
H814   H     0.72214   0.56085   0.80900   0.00000  Uiso   1.00
H815   H     0.76737   0.56420   0.78818   0.00000  Uiso   1.00
H817   H     0.73648   0.52223   0.71935   0.00000  Uiso   1.00
H819   H     0.69329   0.51196   0.74233   0.00000  Uiso   1.00
H820   H     0.84211   0.53352   0.55440   0.00000  Uiso   1.00
H825   H     0.65796   0.53251   0.52805   0.00000  Uiso   1.00
H828   H     0.75861   0.51415   0.62571   0.00000  Uiso   1.00
H831   H     0.75951   0.52897   0.67111   0.00000  Uiso   1.00
H836   H     0.83698   0.56893   0.65383   0.00000  Uiso   1.00
H839   H     0.83609   0.55315   0.60890   0.00000  Uiso   1.00
H843   H     0.74290   0.51351   0.58242   0.00000  Uiso   1.00
H847   H     0.70974   0.53473   0.55167   0.00000  Uiso   1.00
H853   H     0.58545   0.54891   0.54799   0.00000  Uiso   1.00
H855   H     0.77160   0.58390   0.51719   0.00000  Uiso   1.00
H856   H     0.70025   0.51608   0.95246   0.00000  Uiso   1.00
H857   H     0.57058   0.53782   0.58943   0.00000  Uiso   1.00
H862   H     0.53175   0.50236   0.59804   0.00000  Uiso   1.00
H863   H     0.80750   0.56162   0.54766   0.00000  Uiso   1.00
C1293  C     0.73872   0.56096   0.53126   0.00000  Uiso   1.00
C1294  C     0.75582   0.54334   0.75146   0.00000  Uiso   1.00
C1296  C     0.79885   0.55024   0.66620   0.00000  Uiso   1.00
C1299  C     0.68077   0.50103   0.86851   0.00000  Uiso   1.00
C1303  C     0.55921   0.52043   0.52527   0.00000  Uiso   1.00
N355   N     0.67773   0.53684   0.78769   0.00000  Uiso   1.00
N356   N     0.79577   0.52194   0.58413   0.00000  Uiso   1.00
C1306  C     0.67761   0.52301   0.81499   0.00000  Uiso   1.00
C1307  C     0.65481   0.55175   0.77828   0.00000  Uiso   1.00
C1309  C     0.79825   0.52991   0.61264   0.00000  Uiso   1.00
C1311  C     0.81309   0.50327   0.57090   0.00000  Uiso   1.00
C1312  C     0.70469   0.53719   0.77658   0.00000  Uiso   1.00
C1314  C     0.77656   0.53577   0.56601   0.00000  Uiso   1.00
C1315  C     0.69376   0.50076   0.93897   0.00000  Uiso   1.00
C1325  C     0.81700   0.57560   0.73264   0.00000  Uiso   1.00
N359   N     0.60360   0.60976   0.52581   0.00000  Uiso   1.00
N360   N     0.64050   0.62878   0.50219   0.00000  Uiso   1.00
N370   N     0.81248   0.63192   0.64353   0.00000  Uiso   1.00
N371   N     0.85422   0.63344   0.62039   0.00000  Uiso   1.00
N372   N     0.81571   0.61825   0.59768   0.00000  Uiso   1.00
C1327  C     0.62952   0.61583   0.52418   0.00000  Uiso   1.00
C1329  C     0.58771   0.61539   0.50577   0.00000  Uiso   1.00
C1334  C     0.80114   0.62301   0.61930   0.00000  Uiso   1.00
N373   N     0.69097   0.59777   0.61851   0.00000  Uiso   1.00
C1335  C     0.68946   0.57928   0.66399   0.00000  Uiso   1.00
C1336  C     0.68560   0.61774   0.57321   0.00000  Uiso   1.00
C1337  C     0.67397   0.61904   0.54702   0.00000  Uiso   1.00
C1338  C     0.63560   0.59381   0.56688   0.00000  Uiso   1.00
C1339  C     0.65024   0.58881   0.59082   0.00000  Uiso   1.00
C1350  C     0.55206   0.59294   0.53039   0.00000  Uiso   1.00
C1351  C     0.52475   0.58774   0.53487   0.00000  Uiso   1.00
C1365  C     0.64840   0.60257   0.64547   0.00000  Uiso   1.00
C1366  C     0.63481   0.59638   0.66990   0.00000  Uiso   1.00
C1381  C     0.67494   0.57092   0.68588   0.00000  Uiso   1.00
C1382  C     0.73092   0.61462   0.64371   0.00000  Uiso   1.00
C1383  C     0.75937   0.61799   0.64489   0.00000  Uiso   1.00
C1384  C     0.64790   0.58007   0.68889   0.00000  Uiso   1.00
C1385  C     0.76236   0.60354   0.59635   0.00000  Uiso   1.00
C1386  C     0.73446   0.59924   0.59672   0.00000  Uiso   1.00
H865   H     0.68259   0.63205   0.53129   0.00000  Uiso   1.00
H876   H     0.61680   0.58487   0.56357   0.00000  Uiso   1.00
H882   H     0.72638   0.58727   0.57919   0.00000  Uiso   1.00
H883   H     0.68472   0.55782   0.70013   0.00000  Uiso   1.00
H884   H     0.63843   0.61678   0.63019   0.00000  Uiso   1.00
H886   H     0.63917   0.57521   0.60425   0.00000  Uiso   1.00
H898   H     0.70521   0.62992   0.57445   0.00000  Uiso   1.00
H900   H     0.56469   0.59014   0.54796   0.00000  Uiso   1.00
H904   H     0.51915   0.57891   0.55439   0.00000  Uiso   1.00
H909   H     0.71058   0.57127   0.66350   0.00000  Uiso   1.00
H912   H     0.61537   0.60524   0.67722   0.00000  Uiso   1.00
H913   H     0.72111   0.62077   0.66368   0.00000  Uiso   1.00
H917   H     0.77008   0.62614   0.66243   0.00000  Uiso   1.00
H919   H     0.84947   0.64357   0.66157   0.00000  Uiso   1.00
H920   H     0.77432   0.59988   0.57733   0.00000  Uiso   1.00
H921   H     0.85420   0.61655   0.58175   0.00000  Uiso   1.00
H922   H     0.63522   0.57404   0.70603   0.00000  Uiso   1.00
C1389  C     0.56137   0.60574   0.50683   0.00000  Uiso   1.00
C1391  C     0.64694   0.60849   0.54492   0.00000  Uiso   1.00
C1392  C     0.77377   0.61526   0.62015   0.00000  Uiso   1.00
C1395  C     0.67633   0.59357   0.64252   0.00000  Uiso   1.00
C1396  C     0.67622   0.60016   0.59331   0.00000  Uiso   1.00
C1397  C     0.71786   0.60389   0.61968   0.00000  Uiso   1.00
C1398  C     0.50581   0.59726   0.51497   0.00000  Uiso   1.00
C1407  C     0.83930   0.63781   0.64213   0.00000  Uiso   1.00
C1410  C     0.84191   0.62328   0.59916   0.00000  Uiso   1.00
N390   N     0.92173   0.56991   0.99711   0.00000  Uiso   1.00
H931   H     0.93526   0.53560   0.96057   0.00000  Uiso   1.00
C1477  C     0.92388   0.51896   0.97036   0.00000  Uiso   1.00
C1492  C     0.90749   0.52457   0.99297   0.00000  Uiso   1.00
N447   N     0.59285   0.50690   0.98418   0.00000  Uiso   1.00
H1116  H     0.63295   0.50080   0.98041   0.00000  Uiso   1.00
H1128  H     0.55216   0.50618   0.98545   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
N4     C125    1.348   .     S
N4     C134    1.366   1_455 S
N25    C128    1.374   .     S
N25    C14     1.374   1_455 S
N27    C128    1.315   .     S
N27    C135    1.339   1_455 S
H46    C125    1.105   .     S
H56    C128    1.108   .     S
C125   N5      1.391   1_455 S
N40    C145    1.304   .     S
N40    C144    1.339   .     S
N41    C144    1.359   .     S
N41    C154    1.321   .     S
N42    C145    1.364   .     S
N42    C154    1.345   .     S
N43    C142    1.387   .     S
N43    C155    1.351   .     S
N44    C143    1.403   .     S
N44    C142    1.348   .     S
N45    C143    1.324   .     S
N45    C155    1.346   .     S
N46    C156    1.327   .     S
N46    C146    1.392   .     S
N47    C156    1.356   .     S
N47    C157    1.338   .     S
N48    C157    1.328   .     S
N48    C146    1.344   .     S
N61    C153    1.319   .     S
N61    C164    1.333   .     S
N62    C165    1.318   .     S
N62    C164    1.351   .     S
N63    C165    1.340   .     S
N63    C153    1.367   .     S
C142   C238    1.430   .     S
C143   C237    1.437   .     S
C144   C235    1.401   .     S
C145   C232    1.453   .     S
C146   C230    1.411   .     S
C153   C240    1.444   .     S
C154   H128    1.114   .     S
C155   H104    1.134   .     S
C156   H105    1.058   .     S
C157   H107    1.094   .     S
C164   H164    1.134   .     S
C165   H166    1.115   .     S
H95    C166    1.147   .     S
H96    C193    1.093   .     S
H97    C214    1.060   .     S
H98    C226    1.152   .     S
H99    C171    1.102   .     S
H103   C210    1.145   .     S
H106   C228    1.133   .     S
H108   C168    1.082   .     S
H109   C169    1.091   .     S
H110   C175    1.120   .     S
H111   C177    1.108   .     S
H125   C227    1.145   .     S
H127   C167    1.084   .     S
H142   C192    1.104   .     S
H143   C194    1.143   .     S
H144   C196    1.103   .     S
H145   C197    1.080   .     S
H146   C198    1.112   .     S
H147   C200    1.086   .     S
H148   C202    1.079   .     S
H149   C204    1.085   .     S
H150   C206    1.097   .     S
H151   C207    1.091   .     S
H152   C209    1.142   .     S
H153   C211    1.089   .     S
H154   C213    1.108   .     S
H157   C215    1.156   .     S
H158   C216    1.085   .     S
H160   C218    1.071   .     S
H161   C220    1.117   .     S
H163   C223    1.099   .     S
H165   C225    1.109   .     S
N65    C242    1.429   .     S
N65    C241    1.396   .     S
N65    C243    1.483   .     S
C167   C230    1.436   .     S
C167   C215    1.393   .     S
C168   C241    1.436   .     S
C168   C175    1.402   .     S
C169   C243    1.387   .     S
C169   C177    1.425   .     S
C171   C250    1.423   .     S
C171   C226    1.424   .     S
C175   C230    1.442   .     S
C177   C235    1.398   .     S
C192   C194    1.424   .     S
C192   C254    1.433   .     S
C193   C250    1.475   .     S
C193   C214    1.393   .     S
C194   C240    1.485   .     S
C196   C197    1.420   .     S
C196   C240    1.404   .     S
C197   C254    1.390   .     S
C198   C200    1.447   .     S
C198   C249    1.436   .     S
C200   C232    1.425   .     S
C202   C204    1.427   .     S
C202   C232    1.379   .     S
C204   C249    1.392   .     S
C206   C252    1.512   .     S
C206   C207    1.482   .     S
C207   C209    1.410   .     S
C209   C211    1.423   .     S
C211   C213    1.434   .     S
C213   C252    1.420   .     S
C214   C237    1.426   .     S
C215   C241    1.444   .     S
C216   C227    1.425   .     S
C216   C242    1.476   .     S
C218   C235    1.462   .     S
C218   C228    1.426   .     S
C220   C223    1.412   .     S
C220   C242    1.467   .     S
C223   C238    1.429   .     S
C226   C237    1.423   .     S
C227   C238    1.447   .     S
C228   C243    1.465   .     S
N66    C250    1.439   .     S
N66    C248    1.542   .     S
N66    C253    1.461   .     S
N67    C249    1.501   .     S
N67    C254    1.453   .     S
N67    C252    1.417   .     S
C248   C166    1.391   .     S
C248   C225    1.417   .     S
N82    C260    1.318   .     S
N82    C278    1.321   .     S
N83    C261    1.374   .     S
N83    C260    1.348   .     S
N90    C266    1.366   .     S
N90    C267    1.349   .     S
N91    C266    1.352   .     S
N91    C280    1.357   .     S
N92    C280    1.380   .     S
N92    C267    1.334   .     S
C260   H186    1.081   .     S
C261   H184    1.133   .     S
C261   N81     1.327   .     S
C266   H234    1.094   .     S
C267   H232    1.142   .     S
H208   C294    1.083   .     S
H209   C296    1.114   .     S
H210   C297    1.113   .     S
H211   C298    1.087   .     S
C280   C358    1.432   .     S
C292   C368    1.425   .     S
C292   C294    1.401   .     S
C292   H207    1.086   .     S
C294   C358    1.384   .     S
C296   C297    1.428   .     S
C296   C358    1.464   .     S
C297   C368    1.403   .     S
N101   C368    1.448   .     S
N101   C375    1.467   .     S
N101   C364    1.435   .     S
H258   C378    1.108   .     S
H261   C431    1.055   1_554 S
H285   C377    1.105   .     S
N109   C377    1.324   .     S
N109   C376    1.348   1_554 S
N111   C378    1.374   .     S
N111   C391    1.318   1_554 S
N112   C378    1.377   .     S
N112   C390    1.352   1_554 S
C377   N107    1.351   1_554 S
H346   C499    1.109   .     S
H347   C526    1.078   .     S
H348   C588    1.112   .     S
H350   C576    1.086   .     S
H351   C589    1.174   .     S
H352   C532    1.042   .     S
H353   C524    1.132   .     S
H354   C528    1.098   .     S
H355   C542    1.119   .     S
H356   C573    1.095   .     S
H357   C578    1.109   .     S
H358   C581    1.065   .     S
H378   C533    1.074   .     S
H379   C534    1.069   .     S
H384   C543    1.089   .     S
H385   C545    1.097   .     S
N144   C511    1.288   .     S
N144   C493    1.349   .     S
N146   C511    1.334   .     S
N146   C510    1.369   .     S
N151   C520    1.341   .     S
N151   C515    1.373   .     S
N155   C499    1.344   .     S
N155   C515    1.341   .     S
N161   C520    1.343   .     S
N161   C499    1.338   .     S
C511   C599    1.464   .     S
C515   C608    1.423   .     S
C520   C600    1.491   .     S
N171   C627    1.467   .     S
N171   C614    1.377   .     S
N171   C615    1.486   .     S
C524   C528    1.440   .     S
C524   C608    1.435   .     S
C526   C588    1.402   .     S
C526   C627    1.414   .     S
C528   C614    1.379   .     S
C532   C589    1.382   .     S
C532   C608    1.435   .     S
C542   C573    1.413   .     S
C542   C615    1.443   .     S
C543   C545    1.412   .     S
C543   C607    1.425   .     S
C573   C599    1.502   .     S
C576   C627    1.366   .     S
C576   C577    1.405   .     S
C577   H349    1.097   .     S
C577   C605    1.439   .     S
C578   C581    1.448   .     S
C578   C599    1.399   .     S
C581   C615    1.420   .     S
C588   C605    1.466   .     S
C589   C614    1.450   .     S
N178   C688    1.335   .     S
N178   C635    1.350   .     S
N181   C636    1.316   .     S
N181   C695    1.326   .     S
N182   C690    1.377   .     S
N182   C695    1.358   .     S
N183   C690    1.327   .     S
N183   C636    1.354   .     S
C636   C680    1.434   .     S
C644   C645    1.441   .     S
C644   H417    1.089   .     S
C644   C703    1.463   .     S
C645   H425    1.114   .     S
C645   C684    1.426   .     S
C654   H412    1.103   .     S
C654   C655    1.475   .     S
C654   C680    1.429   .     S
C655   H414    1.128   .     S
C655   C701    1.408   .     S
H416   C688    1.122   .     S
H421   C695    1.068   .     S
H423   C690    1.107   .     S
C680   C653    1.448   .     S
C688   N179    1.345   .     S
N197   C732    1.335   .     S
N197   C707    1.304   .     S
N198   C732    1.378   .     S
N198   C708    1.379   .     S
N202   C709    1.322   .     S
N202   C721    1.306   .     S
N203   C709    1.346   .     S
N203   C710    1.319   .     S
N204   C710    1.319   .     S
N204   C721    1.356   .     S
N207   C723    1.367   .     S
N207   C711    1.356   .     S
C709   C796    1.483   .     S
C710   C807    1.419   .     S
C721   H494    1.073   .     S
C732   H478    1.064   .     S
H470   C792    1.101   .     S
H474   C787    1.110   .     S
H476   C743    1.087   .     S
H493   C734    1.065   .     S
C743   C734    1.431   .     S
C743   C805    1.436   .     S
C787   C792    1.434   .     S
C787   C796    1.447   .     S
C807   C736    1.405   .     S
C807   C788    1.420   1_554 S
N228   C838    1.337   .     S
N228   C823    1.311   .     S
N229   C849    1.361   .     S
N229   C823    1.355   .     S
N230   C849    1.348   .     S
N230   C838    1.365   .     S
C823   H535    1.066   .     S
H557   C886    1.079   .     S
H558   C889    1.139   .     S
H559   C893    1.067   .     S
H560   C897    1.098   1_554 S
H564   C856    1.110   1_554 S
H607   C884    1.131   .     S
H609   C908    1.107   .     S
C838   C915    1.426   .     S
C849   C916    1.416   .     S
C881   C915    1.421   .     S
C881   H556    1.101   1_554 S
C881   C879    1.415   1_554 S
C884   C908    1.404   .     S
C884   C916    1.489   .     S
C886   C915    1.393   .     S
C886   C889    1.436   .     S
C889   C937    1.440   1_554 S
C893   C897    1.455   1_554 S
C893   C933    1.398   1_554 S
C908   C926    1.425   1_554 S
C916   C858    1.433   1_554 S
N260   C943    1.401   .     S
N260   C942    1.315   .     S
N261   C942    1.331   .     S
N261   C940    1.307   .     S
N262   C940    1.366   .     S
N262   C943    1.373   .     S
N267   C944    1.321   .     S
N267   C1096   1.327   1_554 S
N268   C944    1.330   .     S
N268   C945    1.345   1_554 S
N269   C948    1.357   .     S
N269   C946    1.321   .     S
N270   C947    1.325   .     S
N270   C946    1.362   .     S
N271   C948    1.349   .     S
N271   C947    1.356   .     S
N281   C1094   1.376   .     S
N281   C953    1.352   .     S
N282   C1097   1.352   .     S
N282   C953    1.353   .     S
N283   C1097   1.357   .     S
N283   C1094   1.355   .     S
N290   C1092   1.359   .     S
N290   C956    1.367   .     S
N291   C1092   1.337   .     S
N291   C1095   1.369   .     S
N292   C956    1.363   .     S
N292   C1095   1.356   .     S
C940   C1053   1.440   .     S
C942   C1060   1.435   .     S
C943   C1058   1.398   .     S
C944   C1057   1.460   .     S
C946   C1046   1.448   .     S
C947   C1047   1.420   .     S
C948   C1061   1.444   .     S
C953   C1050   1.427   .     S
C956   C1059   1.378   .     S
N293   C1062   1.445   .     S
N293   C1063   1.457   .     S
N293   C1066   1.402   .     S
C957   H628    1.143   .     S
C957   C958    1.436   .     S
C957   C1053   1.446   .     S
C958   C1081   1.395   .     S
C958   H693    1.109   .     S
C959   C960    1.407   .     S
C959   C1080   1.404   .     S
C959   H647    1.130   .     S
C960   H673    1.073   .     S
C960   C1050   1.408   .     S
C961   C1050   1.404   .     S
C961   C962    1.445   .     S
C961   H708    1.126   .     S
C962   C1080   1.436   .     S
C962   H617    1.088   .     S
C967   C1076   1.436   .     S
C967   H689    1.091   .     S
C967   C968    1.407   .     S
C968   H697    1.107   .     S
C968   C1057   1.470   .     S
C969   H610    1.091   .     S
C969   C1057   1.401   .     S
C969   C970    1.392   .     S
C970   H613    1.057   .     S
C970   C1076   1.423   .     S
C971   C1070   1.394   .     S
C971   H619    1.115   .     S
C971   C972    1.420   .     S
C972   H622    1.131   .     S
C972   C1058   1.414   .     S
C973   H626    1.130   .     S
C973   C1058   1.401   .     S
C973   C974    1.482   .     S
C974   H630    1.127   .     S
C974   C1070   1.387   .     S
C975   H639    1.075   .     S
C975   C1063   1.396   .     S
C975   C1044   1.453   .     S
C976   C1043   1.437   .     S
C976   C1053   1.444   .     S
C976   H658    1.119   .     S
C977   C1062   1.418   .     S
C977   H655    1.130   .     S
C977   C992    1.428   .     S
C978   H614    1.131   .     S
C978   C993    1.419   .     S
C978   C1077   1.372   .     S
C993   C1054   1.420   .     S
C993   H616    1.087   .     S
C994   H618    1.100   .     S
C994   C995    1.433   .     S
C994   C1072   1.449   .     S
C995   H620    1.096   .     S
C995   C1047   1.494   .     S
C996   C1047   1.428   .     S
C996   C997    1.443   .     S
C996   H621    1.104   .     S
C997   C1072   1.443   .     S
C997   H623    1.098   .     S
C998   H624    1.075   .     S
C998   C1069   1.402   .     S
C998   C999    1.411   .     S
C1003  C1074   1.457   .     S
C1003  H632    1.085   .     S
C1003  C1004   1.392   .     S
C1004  H634    1.094   .     S
C1004  C1059   1.421   .     S
C1005  C1006   1.451   .     S
C1005  C1059   1.384   .     S
C1005  H636    1.139   .     S
C1006  H638    1.138   .     S
C1006  C1074   1.386   .     S
C1021  C1023   1.406   .     S
C1021  C1054   1.460   .     S
C1021  H665    1.093   .     S
C1022  H667    1.104   .     S
C1022  C1066   1.502   .     S
C1022  C1024   1.474   .     S
C1023  H672    1.100   .     S
C1023  C1077   1.410   .     S
C1024  H670    1.124   .     S
C1024  C1060   1.424   .     S
C1025  C1040   1.441   .     S
C1025  H675    1.063   .     S
C1025  C1060   1.415   .     S
C1040  H702    1.051   .     S
C1040  C1066   1.418   .     S
C1041  C1063   1.491   .     S
C1041  H705    1.142   .     S
C1041  C1042   1.412   .     S
C1042  H709    1.098   .     S
C1042  C1061   1.460   .     S
C1043  C1081   1.401   .     S
C1043  H713    1.139   .     S
C1044  C1061   1.437   .     S
C1044  H635    1.113   .     S
H631   C1002   1.098   .     S
H671   C1094   1.095   .     S
H674   C1097   1.166   .     S
H687   C984    1.076   1_554 S
H691   C985    1.054   1_554 S
H698   C1038   1.111   .     S
H710   C1092   1.054   .     S
H711   C1095   1.108   .     S
H712   C989    1.127   1_554 S
C1054  C955    1.412   .     S
C1062  C1008   1.436   .     S
N297   C1072   1.461   .     S
N297   C1069   1.454   .     S
N297   C1074   1.483   .     S
N298   C1077   1.429   .     S
N298   C1081   1.442   .     S
N298   C1080   1.484   .     S
N299   C1070   1.477   .     S
N299   C1076   1.502   .     S
N299   C1079   1.500   .     S
C1069  C1002   1.439   .     S
N335   C1316   1.360   .     S
N335   C1323   1.331   .     S
N336   C1316   1.345   .     S
N336   C1218   1.394   .     S
H794   C1316   1.127   .     S
N377   C1414   1.369   .     S
N377   C1434   1.383   .     S
N378   C1427   1.380   .     S
N378   C1414   1.328   .     S
N379   C1434   1.337   .     S
N379   C1427   1.396   .     S
N383   C1416   1.350   .     S
N383   C1428   1.370   .     S
N384   C1417   1.369   .     S
N384   C1416   1.363   .     S
N385   C1428   1.329   .     S
N385   C1417   1.360   .     S
C1414  H925    1.095   .     S
C1416  H927    1.132   .     S
C1417  H928    1.115   .     S
H923   C1485   1.154   .     S
H926   C1482   1.055   .     S
H942   C1452   1.088   .     S
H943   C1469   1.155   .     S
H947   C1481   1.113   .     S
H949   C1464   1.081   .     S
H950   C1472   1.115   .     S
H963   C1451   1.093   .     S
H978   C1475   1.146   .     S
H979   C1476   1.100   .     S
H982   C1479   1.161   .     S
H984   C1483   1.101   .     S
C1427  C1487   1.460   .     S
C1428  C1497   1.476   .     S
C1434  C1493   1.483   .     S
N401   C1499   1.442   .     S
N401   C1500   1.454   .     S
N401   C1498   1.393   .     S
C1451  C1499   1.451   .     S
C1451  C1481   1.419   .     S
C1452  C1499   1.430   .     S
C1452  C1469   1.447   .     S
C1464  C1487   1.441   .     S
C1464  C1454   1.430   .     S
C1469  C1493   1.386   .     S
C1472  C1487   1.438   .     S
C1472  C1480   1.441   .     S
C1474  C1498   1.454   .     S
C1474  H945    1.152   1_554 S
C1474  C1486   1.448   1_554 S
C1475  C1500   1.455   .     S
C1475  C1479   1.386   .     S
C1476  C1483   1.454   .     S
C1476  C1494   1.433   1_554 S
C1479  C1497   1.456   .     S
C1481  C1493   1.479   .     S
C1482  C1500   1.439   .     S
C1482  C1485   1.385   .     S
C1483  C1498   1.448   .     S
C1485  C1497   1.420   .     S
N441   C1613   1.368   .     S
N441   C1750   1.345   .     S
N457   C1759   1.311   .     S
N457   C1621   1.374   .     S
N459   C1759   1.414   .     S
N459   C1622   1.310   .     S
H1051  C1658   1.091   .     S
H1058  C1662   1.087   .     S
H1073  C1759   1.097   .     S
H1102  C1686   1.058   .     S
H1112  C1692   1.143   .     S
H1140  C1750   1.061   .     S
N1     C2      1.340   .     S
N1     C4      1.359   .     S
N2     C1      1.373   .     S
N2     C2      1.309   .     S
N3     C4      1.354   .     S
N3     C1      1.350   .     S
N5     C3      1.373   .     S
N5     C125    1.391   1_655 S
N6     C3      1.382   .     S
N6     C134    1.386   .     S
N7     C133    1.335   .     S
N7     C6      1.312   .     S
N8     C133    1.348   .     S
N8     C5      1.352   .     S
N9     C6      1.355   .     S
N9     C5      1.313   .     S
N10    C137    1.327   .     S
N10    C132    1.321   .     S
N11    C132    1.333   .     S
N11    C7      1.372   .     S
N12    C7      1.323   .     S
N12    C137    1.373   .     S
N13    C127    1.355   .     S
N13    C129    1.292   .     S
N14    C127    1.365   .     S
N14    C8      1.344   .     S
N15    C129    1.346   .     S
N15    C8      1.330   .     S
N26    C14     1.339   .     S
N26    C135    1.350   .     S
C1     C104    1.425   .     S
C2     C105    1.391   .     S
C3     C95     1.431   .     S
C4     C102    1.417   .     S
C5     C106    1.431   .     S
C6     C100    1.429   1_545 S
C7     C101    1.437   .     S
C8     C97     1.422   .     S
C14    C92     1.413   .     S
C14    N25     1.374   1_655 S
N34    C111    1.446   .     S
N34    C107    1.422   .     S
N34    C108    1.396   .     S
C17    C92     1.417   .     S
C17    H86     1.125   .     S
C17    C18     1.417   .     S
C18    H24     1.147   .     S
C18    C116    1.441   .     S
C19    C20     1.424   .     S
C19    C120    1.445   .     S
C19    H77     1.101   1_554 S
C20    H4      1.122   .     S
C20    C105    1.437   .     S
C21    H16     1.104   .     S
C21    C105    1.468   .     S
C21    C22     1.436   .     S
C22    C120    1.426   .     S
C22    H29     1.130   .     S
C23    C118    1.405   .     S
C23    C24     1.404   .     S
C23    H65     1.048   .     S
C24    C97     1.429   .     S
C24    H72     1.126   .     S
C25    C97     1.447   .     S
C25    C26     1.443   .     S
C25    H82     1.143   1_554 S
C26    C118    1.409   .     S
C26    H1      1.102   1_554 S
C27    H6      1.113   .     S
C27    C124    1.452   .     S
C27    C28     1.444   .     S
C28    C102    1.379   .     S
C28    H9      1.091   .     S
C29    C30     1.458   .     S
C29    C102    1.420   .     S
C29    H13     1.141   .     S
C30    C124    1.402   .     S
C30    H21     1.081   .     S
C31    H28     1.119   .     S
C31    C32     1.408   .     S
C31    C119    1.456   .     S
C32    C101    1.396   .     S
C32    H31     1.153   .     S
C33    C34     1.384   .     S
C33    C101    1.439   .     S
C33    H35     1.089   .     S
C34    H38     1.091   .     S
C34    C119    1.401   .     S
C35    H50     1.089   .     S
C35    C90     1.424   .     S
C35    C111    1.405   .     S
C36    C107    1.424   .     S
C36    H68     1.098   .     S
C36    C52     1.458   .     S
C38    C89     1.431   .     S
C38    H70     1.040   .     S
C38    C92     1.415   .     S
C52    H18     1.136   .     S
C52    C95     1.418   .     S
C53    C95     1.468   .     S
C53    C55     1.436   .     S
C53    H23     1.099   .     S
C55    C107    1.462   .     S
C55    H26     1.177   .     S
C56    C69     1.416   .     S
C56    C108    1.420   .     S
C56    H48     1.118   .     S
C69    H51     1.121   .     S
C69    C104    1.420   .     S
C71    H55     1.083   .     S
C71    C104    1.433   .     S
C71    C73     1.416   .     S
C73    H59     1.085   .     S
C73    C108    1.439   .     S
C74    C111    1.422   .     S
C74    H63     1.078   .     S
C74    C75     1.438   .     S
C75    H89     1.098   .     S
C75    C106    1.445   .     S
C89    C116    1.423   .     S
C89    H57     1.103   1_554 S
C90    C106    1.404   .     S
C90    H43     1.104   .     S
H15    C137    1.102   .     S
H17    C132    1.071   .     S
H20    C129    1.133   .     S
H41    C134    1.061   .     S
H60    C135    1.121   .     S
H64    C133    1.148   .     S
N38    C119    1.446   .     S
N38    C124    1.451   .     S
N38    C118    1.457   .     S
C116   N37     1.405   1_554 S
C120   N37     1.515   1_554 S
C127   H22     1.077   1_554 S
C134   N4      1.366   1_655 S
C135   N27     1.339   1_655 S
N72    C273    1.362   .     S
N72    C283    1.351   1_545 S
N75    C274    1.345   .     S
N75    C257    1.353   .     S
N76    C257    1.375   .     S
N76    C258    1.379   .     S
N77    C258    1.360   .     S
N77    C274    1.345   .     S
N78    C277    1.379   .     S
N78    C259    1.357   .     S
N79    C276    1.343   .     S
N79    C259    1.335   .     S
N80    C276    1.355   .     S
N80    C277    1.341   .     S
N81    C278    1.370   .     S
C257   H167    1.106   .     S
C258   H168    1.125   .     S
C259   H182    1.102   .     S
H169   C309    1.093   .     S
H170   C332    1.112   .     S
H171   C334    1.123   .     S
H172   C287    1.115   .     S
H173   C299    1.105   .     S
H174   C307    1.143   .     S
H175   C319    1.065   .     S
H176   C327    1.128   .     S
H177   C339    1.082   .     S
H178   C345    1.077   .     S
H179   C295    1.083   .     S
H180   C335    1.129   .     S
H185   C288    1.098   .     S
H205   C342    1.117   .     S
H212   C300    1.105   .     S
H213   C301    1.099   .     S
H214   C303    1.110   .     S
H233   C290    1.113   .     S
H241   C286    1.101   .     S
H243   C344    1.097   .     S
C273   C349    1.383   .     S
C273   N73     1.414   1_545 S
C274   C357    1.430   .     S
C276   C352    1.467   .     S
C277   C347    1.434   .     S
C278   C359    1.423   .     S
C286   C357    1.427   .     S
C286   C344    1.452   .     S
C287   C334    1.417   .     S
C287   C374    1.404   .     S
C288   C311    1.420   .     S
C288   C357    1.466   .     S
C290   C342    1.401   .     S
C290   C354    1.448   1_545 S
C295   C347    1.459   .     S
C295   C335    1.444   .     S
C298   C300    1.476   .     S
C298   C375    1.419   .     S
C299   C307    1.398   .     S
C299   C365    1.422   .     S
C300   C352    1.414   .     S
C301   C352    1.454   .     S
C301   C303    1.441   .     S
C303   C375    1.429   .     S
C307   C349    1.475   .     S
C309   C374    1.363   .     S
C309   C332    1.437   .     S
C311   C361    1.402   .     S
C311   H200    1.113   1_545 S
C319   C327    1.402   .     S
C319   C349    1.428   .     S
C327   C365    1.457   .     S
C332   C359    1.451   .     S
C334   C359    1.421   .     S
C335   C367    1.449   .     S
C339   C345    1.433   .     S
C339   C367    1.437   .     S
C342   C362    1.411   1_545 S
C344   C361    1.435   .     S
C345   C347    1.471   .     S
C361   N99     1.439   1_545 S
N100   C374    1.453   .     S
N100   C365    1.478   .     S
N100   C367    1.491   .     S
H314   C383    1.069   .     S
H315   C380    1.114   .     S
N119   C383    1.385   .     S
N119   C380    1.351   .     S
N120   C380    1.382   .     S
N120   C395    1.315   1_554 S
C383   N121    1.330   1_554 S
H402   C497    1.096   .     S
N179   C691    1.334   .     S
N180   C691    1.339   .     S
N180   C635    1.381   .     S
N191   C696    1.337   .     S
N191   C639    1.355   .     S
C632   C678    1.409   .     S
C632   N172    1.373   .     S
C632   N173    1.342   .     S
C635   C684    1.411   .     S
C639   N192    1.349   .     S
C639   C676    1.412   .     S
C646   H428    1.098   .     S
C646   C684    1.435   .     S
C646   C647    1.453   .     S
C647   C703    1.399   .     S
C647   H431    1.119   .     S
C648   H436    1.069   .     S
C648   C702    1.460   .     S
C648   C649    1.398   .     S
C649   H440    1.114   .     S
C649   C678    1.444   .     S
C650   H444    1.092   .     S
C650   C651    1.465   .     S
C650   C678    1.444   .     S
C651   H452    1.083   .     S
C651   C702    1.449   .     S
C652   C701    1.409   .     S
C652   C653    1.447   .     S
C652   H410    1.108   .     S
C653   H411    1.099   .     S
H418   C691    1.086   .     S
H445   C671    1.085   .     S
H455   C696    1.121   .     S
C696   N190    1.335   .     S
N195   C702    1.459   .     S
N195   C701    1.497   .     S
N195   C703    1.394   .     S
N206   C723    1.303   .     S
N206   C722    1.363   .     S
C723   H473    1.078   .     S
N246   C832    1.339   .     S
N246   C843    1.362   1_554 S
N248   C832    1.326   .     S
N248   C844    1.322   1_554 S
C832   H574    1.141   .     S
H567   C911    1.135   .     S
C911   C856    1.477   1_554 S
C911   C912    1.442   1_554 S
H714   C1108   1.101   .     S
H715   C1104   1.078   .     S
H725   C1130   1.055   .     S
N300   C1104   1.350   .     S
N300   C1108   1.323   .     S
N320   C1108   1.325   .     S
N320   C1119   1.356   .     S
C1104  N319    1.315   .     S
C1119  N319    1.325   .     S
C1119  C1194   1.430   .     S
N337   C1218   1.348   .     S
N337   C1323   1.320   .     S
C1218  C1289   1.469   .     S
H792   C1323   1.070   .     S
H821   C1324   1.110   .     S
H929   C1461   1.126   1_554 S
H987   C1578   1.118   1_545 S
H988   C1571   1.076   .     S
H991   C1575   1.111   .     S
H992   C1567   1.080   .     S
H993   C1539   1.137   .     S
H1001  C1561   1.078   .     S
H1002  C1565   1.086   .     S
H1007  C1540   1.087   .     S
H1008  C1584   1.142   .     S
H1009  C1538   1.080   .     S
H1025  C1524   1.159   .     S
H1026  C1526   1.130   .     S
H1027  C1525   1.101   .     S
H1028  C1529   1.092   .     S
H1029  C1527   1.093   .     S
H1032  C1554   1.069   1_545 S
H1042  C1531   1.087   1_545 S
N412   C1524   1.296   .     S
N412   C1512   1.372   1_554 S
N413   C1513   1.326   .     S
N413   C1511   1.332   1_545 S
N414   C1525   1.328   .     S
N414   C1526   1.299   .     S
N415   C1514   1.344   .     S
N415   C1525   1.381   .     S
N416   C1526   1.354   .     S
N416   C1514   1.374   .     S
N417   C1513   1.383   .     S
N417   C1515   1.350   1_545 S
N418   C1529   1.365   .     S
N418   C1527   1.374   .     S
N419   C1527   1.392   .     S
N419   C1516   1.371   .     S
N420   C1529   1.340   .     S
N420   C1516   1.348   .     S
C1513  C1587   1.440   .     S
C1514  C1594   1.432   1_554 S
C1516  C1586   1.409   .     S
C1524  N411    1.395   1_554 S
C1538  C1541   1.410   .     S
C1538  C1587   1.426   .     S
C1539  C1586   1.502   .     S
C1539  C1548   1.485   1_545 S
C1540  C1608   1.429   .     S
C1540  C1584   1.435   .     S
C1541  C1608   1.431   .     S
C1541  H1010   1.117   1_554 S
C1561  C1565   1.355   .     S
C1561  C1595   1.391   1_554 S
C1565  C1606   1.457   1_554 S
C1567  C1586   1.466   .     S
C1567  C1575   1.386   .     S
C1571  C1578   1.469   1_545 S
C1571  C1592   1.464   1_545 S
C1575  C1603   1.410   1_545 S
C1584  C1587   1.460   .     S
C1608  N435    1.434   1_554 S
H372   C490    1.120   .     S
H373   C489    1.144   .     S
H376   C493    1.047   .     S
H381   C538    1.111   .     S
H383   C541    1.094   .     S
H386   C547    1.058   .     S
H387   C548    1.126   .     S
H388   C550    1.133   .     S
H389   C551    1.134   .     S
H408   C505    1.080   .     S
H409   C503    1.103   .     S
N138   C490    1.331   .     S
N138   C506    1.345   .     S
N139   C506    1.383   .     S
N139   C489    1.368   .     S
N140   C490    1.331   .     S
N140   C489    1.336   .     S
N145   C493    1.335   .     S
N145   C510    1.296   .     S
N163   C505    1.357   .     S
N163   C503    1.357   .     S
N164   C522    1.405   .     S
N164   C503    1.347   .     S
N165   C505    1.336   .     S
N165   C522    1.352   .     S
C506   C605    1.483   .     S
C510   C607    1.417   .     S
C522   C602    1.403   .     S
N167   C620    1.476   .     S
N167   C623    1.472   .     S
N167   C616    1.373   .     S
C533   C534    1.432   .     S
C533   C620    1.425   .     S
C534   C606    1.371   1_455 S
C538   C620    1.458   .     S
C538   C536    1.392   1_455 S
C539   C616    1.454   .     S
C539   C541    1.426   .     S
C539   H382    1.058   1_455 S
C541   C607    1.425   .     S
C545   C616    1.452   .     S
C547   C548    1.449   .     S
C547   C623    1.406   .     S
C548   C602    1.413   .     S
C550   C602    1.426   .     S
C550   C551    1.453   .     S
C551   C623    1.377   .     S
N196   C707    1.388   .     S
N196   C708    1.395   .     S
N199   C720    1.361   .     S
N199   C706    1.350   .     S
N200   C719    1.304   .     S
N200   C706    1.354   .     S
N201   C719    1.344   .     S
N201   C720    1.323   .     S
N205   C711    1.363   .     S
N205   C722    1.289   .     S
N211   C714    1.370   .     S
N211   C725    1.340   1_455 S
N212   C714    1.346   .     S
N212   C715    1.349   1_455 S
N218   C728    1.339   .     S
N218   C717    1.323   .     S
N219   C717    1.371   .     S
N219   C729    1.378   .     S
C706   C802    1.459   .     S
C707   C805    1.387   .     S
C708   C795    1.438   .     S
C711   C800    1.468   .     S
C714   C803    1.473   .     S
C717   C804    1.421   .     S
C719   H471    1.084   .     S
C720   H528    1.099   .     S
C728   H527    1.057   .     S
C728   N217    1.319   .     S
H458   C755    1.125   .     S
H459   C737    1.097   .     S
H464   C736    1.114   .     S
H465   C740    1.144   .     S
H477   C745    1.139   .     S
H479   C753    1.067   .     S
H480   C757    1.098   .     S
H481   C760    1.102   .     S
H482   C764    1.061   .     S
H483   C768    1.095   .     S
H484   C772    1.089   .     S
H485   C777    1.126   .     S
H486   C781    1.071   .     S
H487   C785    1.105   .     S
H488   C786    1.053   .     S
H489   C790    1.114   .     S
H490   C793    1.125   .     S
H492   C733    1.124   .     S
H508   C735    1.094   .     S
H510   C759    1.115   .     S
H514   C767    1.119   1_455 S
H518   C775    1.081   .     S
H519   C776    1.118   1_455 S
H526   C761    1.151   .     S
H529   C762    1.070   .     S
H530   C789    1.122   .     S
H533   C794    1.044   .     S
N223   C810    1.419   .     S
N223   C809    1.401   .     S
N223   C808    1.410   .     S
C733   C809    1.435   .     S
C733   C745    1.418   .     S
C734   C808    1.454   .     S
C735   C808    1.443   .     S
C735   C762    1.441   .     S
C736   C740    1.427   .     S
C737   C800    1.437   .     S
C737   C755    1.414   .     S
C740   C818    1.423   1_554 S
C745   C796    1.420   .     S
C753   C757    1.399   .     S
C753   C812    1.408   .     S
C755   C817    1.438   1_554 S
C757   C804    1.438   .     S
C759   C761    1.442   .     S
C759   C810    1.455   .     S
C760   C804    1.443   .     S
C760   C764    1.418   .     S
C761   C802    1.439   .     S
C762   C805    1.413   .     S
C764   C812    1.471   .     S
C768   C772    1.394   .     S
C768   C820    1.454   .     S
C772   C795    1.414   .     S
C775   C776    1.388   1_455 S
C775   C806    1.380   1_455 S
C777   C795    1.413   .     S
C777   C781    1.412   .     S
C781   C820    1.424   .     S
C785   C821    1.421   .     S
C785   C786    1.467   .     S
C786   C803    1.435   .     S
C789   C794    1.454   .     S
C789   C802    1.435   .     S
C790   C803    1.407   .     S
C790   C793    1.445   .     S
C792   C809    1.435   .     S
C793   C821    1.431   .     S
C794   C810    1.451   .     S
C800   C791    1.443   1_554 S
N225   C820    1.446   .     S
N225   C821    1.458   .     S
N225   C812    1.422   .     S
N263   C1083   1.333   .     S
N263   C941    1.381   .     S
N264   C1088   1.352   .     S
N264   C941    1.379   .     S
N265   C1088   1.365   .     S
N265   C1083   1.318   .     S
N284   C1091   1.322   .     S
N284   C954    1.312   .     S
N285   C1091   1.367   .     S
N285   C1086   1.340   .     S
N286   C1086   1.332   .     S
N286   C954    1.330   .     S
N287   C955    1.354   .     S
N287   C1084   1.301   .     S
N288   C1087   1.359   .     S
N288   C1084   1.355   .     S
N289   C1087   1.324   .     S
N289   C955    1.349   .     S
C941   C1049   1.436   .     S
C954   C1045   1.483   .     S
C963   H637    1.125   .     S
C963   C964    1.455   .     S
C963   C1079   1.393   .     S
C964   C1049   1.412   .     S
C964   H652    1.069   .     S
C965   C1049   1.442   .     S
C965   C966    1.409   .     S
C965   H664    1.120   .     S
C966   H678    1.070   .     S
C966   C1079   1.453   .     S
C992   C1045   1.430   .     S
C992   H615    1.090   .     S
C1007  C1008   1.449   .     S
C1007  H641    1.111   .     S
C1007  C1045   1.448   .     S
C1008  H661    1.123   .     S
H633   C1083   1.081   .     S
H643   C1088   1.104   .     S
H701   C1091   1.030   .     S
H704   C1084   1.108   .     S
H706   C1087   1.084   .     S
C1086  H703    1.085   .     S
H788   C1110   1.123   1_554 S
N322   C1109   1.350   1_554 S
N322   C1110   1.385   1_554 S
H826   C1268   1.102   .     S
N364   C1412   1.347   .     S
N364   C1413   1.353   .     S
N365   C1412   1.355   .     S
N365   C1332   1.374   .     S
N366   C1332   1.336   .     S
N366   C1413   1.391   .     S
C1332  C1394   1.457   .     S
C1340  H902    1.096   .     S
C1340  C1341   1.445   .     S
C1340  C1406   1.412   .     S
C1341  H915    1.060   .     S
C1341  C1394   1.418   .     S
C1342  H867    1.084   .     S
C1342  C1394   1.464   .     S
C1342  C1343   1.423   .     S
C1343  C1406   1.446   .     S
C1343  H870    1.057   .     S
H908   C1413   1.089   .     S
H910   C1412   1.095   .     S
C1406  N375    1.466   .     S
N392   C1429   1.350   .     S
N392   C1421   1.312   .     S
N393   C1421   1.338   .     S
N393   C1422   1.364   .     S
N394   C1422   1.314   .     S
N394   C1429   1.342   .     S
C1421  H962    1.093   .     S
C1422  H964    1.102   .     S
H948   C1454   1.083   .     S
H951   C1480   1.127   .     S
H952   C1440   1.107   .     S
H953   C1439   1.116   .     S
H954   C1441   1.082   .     S
H955   C1442   1.170   .     S
H956   C1444   1.114   .     S
H957   C1445   1.139   .     S
H958   C1447   1.094   .     S
H959   C1448   1.063   .     S
H960   C1449   1.124   .     S
C1429  C1490   1.448   .     S
C1439  C1440   1.413   .     S
C1439  C1441   1.415   .     S
C1440  C1501   1.428   .     S
C1441  C1442   1.420   .     S
C1442  C1444   1.413   .     S
C1444  C1501   1.415   .     S
C1445  C1447   1.426   .     S
C1445  C1504   1.426   .     S
C1447  C1490   1.392   .     S
C1448  C1449   1.453   .     S
C1448  C1490   1.440   .     S
C1449  C1504   1.418   .     S
C1454  C1507   1.433   .     S
C1480  C1507   1.431   .     S
N403   C1504   1.425   .     S
N403   C1507   1.406   .     S
N403   C1501   1.467   .     S
H1046  C1536   1.133   .     S
H1047  C1535   1.115   .     S
N428   C1536   1.325   .     S
N428   C1535   1.335   .     S
N430   C1535   1.344   .     S
N430   C1521   1.324   .     S
N431   C1521   1.373   .     S
N431   C1536   1.422   .     S
C1521  C1596   1.455   1_455 S
N458   C1622   1.375   .     S
N458   C1621   1.328   .     S
C1621  C1727   1.404   .     S
C1622  C1725   1.419   .     S
C1656  H1049   1.087   .     S
C1656  C1657   1.396   .     S
C1656  C1732   1.433   .     S
C1657  C1727   1.459   .     S
C1657  H1050   1.047   .     S
C1658  C1727   1.453   .     S
C1658  C1659   1.442   .     S
C1659  C1732   1.401   .     S
C1659  H1053   1.093   .     S
C1660  C1748   1.435   .     S
C1660  C1661   1.456   .     S
C1660  H1055   1.077   .     S
C1662  C1663   1.414   .     S
C1662  C1724   1.452   .     S
C1663  H1060   1.099   .     S
C1663  C1748   1.441   .     S
C1664  C1665   1.402   .     S
C1664  C1740   1.414   .     S
C1664  H1061   1.134   .     S
C1665  H1063   1.093   .     S
C1665  C1719   1.453   .     S
C1667  H1067   1.110   .     S
C1667  C1740   1.397   .     S
C1667  C1666   1.416   .     S
C1685  C1742   1.388   .     S
C1685  H1100   1.065   .     S
C1685  C1686   1.451   .     S
C1686  C1725   1.434   .     S
C1687  H1104   1.156   .     S
C1687  C1725   1.451   .     S
C1687  C1688   1.412   .     S
C1688  H1106   1.130   .     S
C1688  C1742   1.413   .     S
C1689  C1741   1.395   .     S
C1689  H1107   1.116   .     S
C1689  C1690   1.464   .     S
C1690  H1108   1.096   .     S
C1690  C1691   1.448   .     S
C1691  H1110   1.117   .     S
C1691  C1692   1.428   .     S
C1692  C1693   1.418   .     S
C1693  H1114   1.093   .     S
C1693  C1741   1.458   .     S
C1694  C1695   1.400   .     S
C1694  H1115   1.124   .     S
C1694  C1738   1.446   .     S
C1695  C1696   1.413   .     S
C1695  H1117   1.101   .     S
C1696  C1697   1.402   .     S
C1696  H1119   1.053   .     S
C1697  H1121   1.091   .     S
C1697  C1698   1.445   .     S
C1698  C1738   1.478   .     S
C1698  H1123   1.087   .     S
C1719  C1620   1.463   .     S
C1719  C1666   1.366   .     S
C1724  C1613   1.451   .     S
C1724  C1661   1.435   .     S
N466   C1738   1.423   .     S
N466   C1741   1.491   .     S
N466   C1742   1.422   .     S
N469   C1732   1.480   .     S
N469   C1740   1.484   .     S
N469   C1748   1.440   .     S
N28    C131    1.328   .     S
N28    C139    1.361   .     S
N29    C139    1.344   .     S
N29    C15     1.337   .     S
N30    C15     1.372   .     S
N30    C131    1.330   .     S
C15    C93     1.506   .     S
N35    C109    1.434   .     S
N35    C110    1.415   .     S
N35    C112    1.475   .     S
C39    H75     1.067   .     S
C39    C40     1.480   .     S
C39    C112    1.399   .     S
C40    C100    1.400   .     S
C40    H79     1.075   .     S
C41    C100    1.445   .     S
C41    C42     1.445   .     S
C41    H84     1.067   .     S
C42    H90     1.099   .     S
C42    C112    1.422   .     S
C43    H2      1.088   .     S
C43    C44     1.412   .     S
C43    C109    1.436   .     S
C44    H3      1.129   .     S
C44    C93     1.398   .     S
C45    H5      1.075   .     S
C45    C46     1.434   .     S
C45    C93     1.411   .     S
C46    C109    1.474   .     S
C46    H7      1.097   .     S
C47    C110    1.415   .     S
C47    H8      1.123   .     S
C47    C48     1.424   .     S
C48    C49     1.408   .     S
C48    H10     1.102   .     S
C49    H11     1.097   .     S
C49    C50     1.394   .     S
C50    H12     1.093   .     S
C50    C51     1.431   .     S
C51    H14     1.136   .     S
C51    C110    1.425   .     S
H61    C131    1.084   .     S
H62    C139    1.083   .     S
C100   C6      1.429   1_565 S
N69    C284    1.339   .     S
N69    C256    1.350   .     S
N70    C256    1.342   .     S
N70    C279    1.355   .     S
N71    C279    1.381   .     S
N71    C284    1.311   .     S
N73    C281    1.333   .     S
N73    C273    1.414   1_565 S
N74    C283    1.363   .     S
N74    C281    1.377   .     S
N84    C272    1.361   .     S
N84    C262    1.354   .     S
N85    C263    1.352   .     S
N85    C262    1.352   .     S
N86    C272    1.293   .     S
N86    C263    1.364   .     S
N87    C275    1.345   .     S
N87    C264    1.382   .     S
N88    C264    1.350   .     S
N88    C265    1.335   .     S
N89    C265    1.362   .     S
N89    C275    1.356   .     S
N96    C285    1.391   .     S
N96    C270    1.352   .     S
N97    C271    1.311   .     S
N97    C270    1.340   .     S
N98    C271    1.365   .     S
N98    C285    1.360   .     S
C256   H237    1.100   .     S
C262   H201    1.138   .     S
C263   H203    1.076   .     S
C264   H204    1.135   .     S
C265   H206    1.082   .     S
C270   H240    1.099   .     S
C271   H242    1.112   .     S
H181   C337    1.078   .     S
H183   C293    1.062   .     S
H187   C304    1.122   .     S
H188   C314    1.139   .     S
H189   C317    1.125   .     S
H190   C322    1.114   .     S
H191   C325    1.090   .     S
H192   C330    1.118   .     S
H193   C333    1.078   .     S
H194   C338    1.092   .     S
H195   C341    1.098   .     S
H196   C343    1.095   .     S
H197   C346    1.126   .     S
H198   C289    1.097   .     S
H199   C291    1.082   .     S
H200   C311    1.113   1_565 S
H202   C302    1.160   .     S
H219   C312    1.105   .     S
H223   C318    1.110   .     S
H224   C320    1.082   .     S
H225   C321    1.100   .     S
H226   C323    1.081   .     S
H227   C324    1.117   .     S
H228   C326    1.129   .     S
H229   C328    1.054   .     S
H230   C329    1.060   .     S
H231   C331    1.098   .     S
H236   C336    1.054   .     S
H239   C340    1.108   .     S
C272   C355    1.460   .     S
C275   C353    1.425   .     S
C279   C360    1.474   .     S
C281   C356    1.442   .     S
C283   C354    1.414   .     S
C283   N72     1.351   1_565 S
C284   C350    1.473   .     S
C285   C348    1.444   .     S
N99    C363    1.467   .     S
N99    C362    1.467   .     S
N99    C361    1.439   1_565 S
C289   C360    1.459   .     S
C289   C291    1.408   .     S
C291   C373    1.445   .     S
C293   C337    1.403   .     S
C293   C350    1.424   .     S
C302   C363    1.457   .     S
C302   C304    1.408   .     S
C304   C350    1.443   .     S
C314   C371    1.425   .     S
C314   C317    1.438   .     S
C317   C355    1.393   .     S
C318   C370    1.426   .     S
C318   C316    1.434   .     S
C320   C321    1.406   .     S
C320   C372    1.457   .     S
C321   C356    1.413   .     S
C322   C355    1.434   .     S
C322   C325    1.406   .     S
C323   C356    1.416   .     S
C323   C324    1.397   .     S
C324   C372    1.455   .     S
C325   C371    1.459   .     S
C326   C369    1.396   .     S
C326   C328    1.391   .     S
C328   C348    1.472   .     S
C329   C331    1.407   .     S
C329   C348    1.439   .     S
C330   C366    1.413   .     S
C330   C333    1.431   .     S
C331   C369    1.411   .     S
C333   C353    1.436   .     S
C336   C354    1.417   .     S
C336   C340    1.378   .     S
C337   C363    1.431   .     S
C338   C353    1.442   .     S
C338   C341    1.405   .     S
C340   C362    1.449   .     S
C341   C366    1.407   .     S
C343   C346    1.405   .     S
C343   C373    1.446   .     S
C346   C360    1.437   .     S
C354   C290    1.448   1_565 S
C362   C342    1.411   1_565 S
N102   C372    1.469   .     S
N102   C369    1.470   .     S
N102   C370    1.420   .     S
N103   C373    1.464   .     S
N103   C366    1.495   .     S
N103   C371    1.446   .     S
C370   C312    1.414   .     S
H380   C536    1.184   .     S
H382   C539    1.058   1_655 S
H403   C496    1.118   .     S
N152   C497    1.304   .     S
N152   C514    1.346   .     S
N153   C496    1.299   .     S
N153   C514    1.388   .     S
N154   C497    1.352   .     S
N154   C496    1.302   .     S
C514   C606    1.461   .     S
C536   C606    1.416   .     S
C536   C538    1.392   1_655 S
C606   C534    1.371   1_655 S
N190   C699    1.353   .     S
N192   C699    1.367   .     S
H437   C666    1.091   .     S
H453   C699    1.094   .     S
N213   C725    1.359   .     S
N213   C715    1.312   .     S
C715   C806    1.476   .     S
C715   N212    1.349   1_655 S
C722   H472    1.081   .     S
C725   H491    1.074   .     S
C725   N211    1.340   1_655 S
H511   C763    1.154   .     S
H512   C765    1.141   .     S
H513   C766    1.085   .     S
H515   C769    1.118   .     S
H516   C771    1.122   .     S
H517   C773    1.167   .     S
H520   C778    1.090   .     S
H521   C780    1.114   .     S
H522   C782    1.098   .     S
H523   C783    1.057   .     S
H524   C784    1.097   .     S
C763   C765    1.475   .     S
C763   C813    1.444   .     S
C765   C766    1.430   .     S
C766   C767    1.416   .     S
C767   C769    1.433   .     S
C767   H514    1.119   1_655 S
C769   C813    1.418   .     S
C771   C773    1.415   .     S
C771   C815    1.397   .     S
C773   C806    1.425   .     S
C776   C815    1.416   .     S
C776   H519    1.118   1_655 S
C776   C775    1.388   1_655 S
C778   C780    1.452   .     S
C778   C819    1.453   .     S
C780   C782    1.491   .     S
C782   C783    1.435   .     S
C783   C784    1.428   .     S
C784   C819    1.451   .     S
C806   C775    1.380   1_655 S
N226   C815    1.466   .     S
N226   C813    1.478   .     S
N226   C819    1.479   .     S
N330   C1213   1.314   .     S
N330   C1214   1.333   .     S
N331   C1213   1.328   .     S
N331   C1216   1.328   .     S
N338   C1324   1.352   .     S
N338   C1219   1.357   .     S
N339   C1319   1.329   .     S
N339   C1324   1.405   .     S
N340   C1219   1.363   .     S
N340   C1319   1.333   .     S
N341   C1220   1.333   .     S
N341   C1221   1.334   .     S
N342   C1322   1.369   .     S
N342   C1220   1.340   .     S
N343   C1221   1.334   .     S
N343   C1322   1.331   .     S
N344   C1318   1.373   .     S
N344   C1222   1.379   .     S
N345   C1317   1.313   .     S
N345   C1222   1.325   .     S
N346   C1317   1.362   .     S
N346   C1318   1.340   .     S
N350   C1326   1.345   .     S
N350   C1321   1.323   .     S
N351   C1224   1.364   .     S
N351   C1321   1.358   .     S
N352   C1326   1.327   .     S
N352   C1224   1.378   .     S
C1213  C1291   1.390   .     S
C1216  C1292   1.456   .     S
C1216  N329    1.315   .     S
C1219  C1297   1.389   .     S
C1220  C1298   1.428   .     S
C1221  C1288   1.409   .     S
C1222  C1295   1.444   .     S
C1224  C1290   1.454   .     S
N353   C1302   1.457   .     S
N353   C1301   1.388   .     S
N353   C1303   1.452   .     S
N354   C1300   1.451   .     S
N354   C1304   1.360   .     S
N354   C1305   1.475   .     S
C1225  H818    1.067   .     S
C1225  C1226   1.417   .     S
C1225  C1308   1.433   .     S
C1226  C1297   1.430   .     S
C1226  H798    1.109   .     S
C1227  H829    1.105   .     S
C1227  C1228   1.444   .     S
C1227  C1297   1.479   .     S
C1228  H852    1.076   .     S
C1228  C1308   1.399   .     S
C1229  C1313   1.410   .     S
C1229  C1230   1.456   .     S
C1229  H804    1.061   .     S
C1230  H811    1.097   .     S
C1230  C1291   1.432   .     S
C1231  C1291   1.415   .     S
C1231  H824    1.104   .     S
C1231  C1232   1.428   .     S
C1232  H834    1.136   .     S
C1232  C1313   1.373   .     S
C1233  C1234   1.434   .     S
C1233  C1310   1.405   .     S
C1233  H845    1.071   .     S
C1234  H860    1.086   .     S
C1234  C1298   1.377   .     S
C1235  H795    1.092   .     S
C1235  C1298   1.429   .     S
C1235  C1236   1.429   .     S
C1236  C1310   1.443   .     S
C1236  H800    1.099   .     S
C1252  C1266   1.377   .     S
C1252  H797    1.133   .     S
C1252  C1301   1.490   .     S
C1266  C1289   1.401   .     S
C1266  H822    1.111   .     S
C1268  C1289   1.410   .     S
C1268  C1269   1.435   .     S
C1269  C1301   1.454   .     S
C1269  H850    1.167   .     S
C1270  C1305   1.439   .     S
C1270  H830    1.052   .     S
C1270  C1271   1.413   .     S
C1271  H832    1.085   .     S
C1271  C1295   1.446   .     S
C1272  C1295   1.418   .     S
C1272  H833    1.122   .     S
C1272  C1273   1.396   .     S
C1273  C1305   1.456   .     S
C1273  H835    1.098   .     S
C1274  C1304   1.399   .     S
C1274  C1275   1.465   .     S
C1274  H837    1.102   .     S
C1275  H838    1.151   .     S
C1275  C1288   1.419   .     S
C1276  C1288   1.413   .     S
C1276  C1277   1.452   .     S
C1276  H840    1.151   .     S
C1277  H841    1.086   .     S
C1277  C1304   1.478   .     S
C1278  H842    1.032   .     S
C1278  C1300   1.434   .     S
C1278  C1279   1.415   .     S
C1279  H844    1.089   .     S
C1279  C1290   1.430   .     S
C1280  H846    1.140   .     S
C1280  C1290   1.464   .     S
C1280  C1281   1.424   .     S
C1281  C1300   1.498   .     S
C1281  H848    1.085   .     S
C1282  C1286   1.460   .     S
C1282  C1292   1.399   .     S
C1282  H858    1.097   .     S
C1286  H793    1.062   .     S
C1286  C1302   1.414   .     S
H823   C1319   1.121   .     S
H827   C1322   1.104   .     S
H849   C1318   1.168   .     S
H851   C1317   1.097   .     S
H859   C1326   1.142   .     S
H861   C1321   1.112   .     S
C1292  C1267   1.451   .     S
C1302  C1251   1.405   .     S
N357   C1308   1.448   .     S
N357   C1310   1.476   .     S
N357   C1313   1.450   .     S
N358   C1331   1.331   .     S
N358   C1329   1.337   .     S
N361   C1328   1.320   .     S
N361   C1411   1.324   .     S
N362   C1328   1.335   .     S
N362   C1330   1.338   .     S
N363   C1411   1.331   .     S
N363   C1330   1.349   .     S
C1328  C1388   1.429   .     S
C1330  C1387   1.400   .     S
C1331  C1393   1.443   .     S
C1331  N360    1.374   .     S
C1348  H892    1.108   .     S
C1348  C1349   1.388   .     S
C1348  C1398   1.434   .     S
C1349  H895    1.115   .     S
C1349  C1389   1.427   .     S
C1352  H911    1.064   .     S
C1352  C1405   1.459   .     S
C1352  C1353   1.422   .     S
C1353  H918    1.097   .     S
C1353  C1393   1.427   .     S
C1354  C1355   1.478   .     S
C1354  C1393   1.431   .     S
C1354  H864    1.059   .     S
C1355  C1405   1.392   .     S
C1355  H866    1.087   .     S
C1356  H868    1.136   .     S
C1356  C1357   1.426   .     S
C1356  C1403   1.466   .     S
C1357  H869    1.129   .     S
C1357  C1358   1.455   .     S
C1358  H871    1.135   .     S
C1358  C1359   1.405   .     S
C1359  H872    1.056   .     S
C1359  C1360   1.473   .     S
C1360  H873    1.085   .     S
C1360  C1403   1.397   .     S
C1361  C1362   1.391   .     S
C1361  H875    1.113   .     S
C1361  C1400   1.440   .     S
C1362  H877    1.074   .     S
C1362  C1387   1.390   .     S
C1363  H879    1.133   .     S
C1363  C1387   1.405   .     S
C1363  C1364   1.400   .     S
C1364  H880    1.111   .     S
C1364  C1400   1.442   .     S
C1367  C1368   1.415   .     S
C1367  H887    1.144   .     S
C1367  C1399   1.401   .     S
C1368  H889    1.121   .     S
C1368  C1369   1.408   .     S
C1369  H890    1.139   .     S
C1369  C1370   1.396   .     S
C1370  C1371   1.468   .     S
C1370  H891    1.174   .     S
C1371  C1399   1.402   .     S
C1371  H893    1.087   .     S
C1372  H894    1.144   .     S
C1372  C1373   1.428   .     S
C1372  C1401   1.399   .     S
C1373  H896    1.095   .     S
C1373  C1388   1.425   .     S
C1374  C1375   1.463   .     S
C1374  H897    1.087   .     S
C1374  C1388   1.398   .     S
C1375  H899    1.105   .     S
C1375  C1401   1.461   .     S
C1376  C1377   1.397   .     S
C1376  H901    1.212   .     S
C1376  C1402   1.415   .     S
C1377  C1378   1.431   .     S
C1377  H903    1.146   .     S
C1378  C1379   1.400   .     S
C1378  H905    1.117   .     S
C1379  H906    1.090   .     S
C1379  C1380   1.397   .     S
C1380  H907    1.061   .     S
C1380  C1402   1.451   .     S
H881   C1411   1.086   .     S
N374   C1403   1.508   .     S
N374   C1400   1.435   .     S
N374   C1405   1.435   .     S
N376   C1402   1.431   .     S
N376   C1399   1.452   .     S
N376   C1401   1.482   .     S
N389   C1419   1.321   .     S
N389   C1420   1.338   .     S
N391   C1436   1.341   .     S
N391   C1420   1.361   .     S
C1419  H946    1.119   .     S
C1419  N390    1.377   1_554 S
C1420  H944    1.137   .     S
H930   C1466   1.132   .     S
C1436  N390    1.359   1_554 S
C1436  C1492   1.406   1_554 S
C1466  C1461   1.388   1_554 S
C1466  C1492   1.402   1_554 S
H985   C1522   1.039   .     S
H986   C1530   1.134   .     S
H989   C1555   1.073   .     S
H990   C1563   1.064   .     S
H994   C1548   1.103   .     S
H995   C1537   1.116   .     S
H996   C1546   1.101   .     S
H997   C1579   1.109   .     S
H998   C1545   1.133   .     S
H1030  C1551   1.099   .     S
H1031  C1552   1.125   .     S
H1033  C1556   1.116   .     S
H1034  C1558   1.066   .     S
H1035  C1559   1.095   .     S
H1036  C1560   1.134   .     S
H1037  C1562   1.090   .     S
H1038  C1564   1.051   .     S
H1039  C1566   1.056   .     S
H1040  C1568   1.104   .     S
H1041  C1569   1.066   .     S
H1043  C1532   1.142   .     S
N408   C1530   1.340   .     S
N408   C1510   1.385   .     S
N410   C1511   1.313   .     S
N410   C1515   1.331   .     S
N421   C1510   1.345   .     S
N421   C1522   1.360   .     S
N422   C1531   1.322   .     S
N422   C1519   1.336   .     S
N423   C1531   1.376   .     S
N423   C1532   1.351   .     S
N424   C1532   1.352   .     S
N424   C1519   1.375   .     S
N429   C1522   1.341   .     S
N429   C1530   1.325   .     S
C1510  C1591   1.433   .     S
C1511  C1592   1.411   .     S
C1511  N413    1.332   1_565 S
C1515  C1585   1.420   .     S
C1515  N417    1.350   1_565 S
C1519  C1593   1.419   .     S
C1531  H1042   1.087   1_565 S
N432   C1603   1.507   .     S
N432   C1597   1.492   .     S
N432   C1600   1.459   .     S
N433   C1598   1.488   .     S
N433   C1604   1.457   .     S
N433   C1599   1.465   .     S
C1537  C1546   1.424   .     S
C1537  C1597   1.434   .     S
C1545  C1579   1.481   .     S
C1545  C1597   1.432   .     S
C1546  C1591   1.389   .     S
C1548  C1603   1.417   .     S
C1548  C1539   1.485   1_565 S
C1551  C1552   1.411   .     S
C1551  C1598   1.458   .     S
C1552  C1585   1.423   .     S
C1554  C1585   1.424   .     S
C1554  C1556   1.401   .     S
C1554  H1032   1.069   1_565 S
C1555  C1592   1.423   .     S
C1555  C1563   1.431   .     S
C1556  C1598   1.400   .     S
C1558  C1604   1.440   .     S
C1558  C1559   1.416   .     S
C1559  C1596   1.423   .     S
C1560  C1596   1.421   .     S
C1560  C1562   1.407   .     S
C1562  C1604   1.441   .     S
C1563  C1600   1.467   .     S
C1564  C1599   1.430   .     S
C1564  C1566   1.421   .     S
C1566  C1593   1.380   .     S
C1568  C1569   1.401   .     S
C1568  C1593   1.430   .     S
C1569  C1599   1.430   .     S
C1578  C1600   1.426   .     S
C1578  H987    1.118   1_565 S
C1578  C1571   1.469   1_565 S
C1579  C1591   1.429   .     S
C1592  C1571   1.464   1_565 S
C1596  C1521   1.455   1_655 S
C1603  C1575   1.410   1_565 S
N19    C12     1.361   .     S
N19    C126    1.330   .     S
N20    C126    1.334   .     S
N20    C11     1.352   .     S
N21    C12     1.352   .     S
N21    C11     1.376   .     S
N22    C136    1.398   .     S
N22    C130    1.350   .     S
N23    C130    1.376   .     S
N23    C13     1.355   .     S
N24    C136    1.347   .     S
N24    C13     1.354   .     S
C11    C91     1.453   .     S
C12    C98     1.430   .     S
C13    C99     1.422   .     S
C57    C123    1.424   .     S
C57    C58     1.405   .     S
C57    H30     1.102   .     S
C58    C99     1.370   .     S
C58    H32     1.104   .     S
C59    C60     1.468   .     S
C59    H33     1.131   .     S
C59    C99     1.475   .     S
C60    H34     1.148   .     S
C60    C123    1.462   .     S
C61    H36     1.099   .     S
C61    C62     1.402   .     S
C61    C115    1.415   .     S
C62    H37     1.105   .     S
C62    C91     1.394   .     S
C63    C64     1.405   .     S
C63    C91     1.400   .     S
C63    H39     1.160   .     S
C64    H40     1.096   .     S
C64    C115    1.428   .     S
C65    C66     1.425   .     S
C65    H42     1.097   .     S
C65    C114    1.421   .     S
C66    C96     1.414   .     S
C66    H44     1.066   .     S
C67    C68     1.400   .     S
C67    C96     1.437   .     S
C67    H45     1.119   1_455 S
C68    C114    1.455   .     S
C68    H47     1.077   .     S
C81    C82     1.437   .     S
C81    H74     1.112   .     S
C81    C117    1.404   .     S
C82    C98     1.447   .     S
C82    H76     1.151   .     S
C83    H78     1.100   .     S
C83    C84     1.391   .     S
C83    C98     1.422   .     S
C84    H80     1.106   .     S
C84    C117    1.421   .     S
C88    C122    1.470   .     S
C88    H87     1.138   .     S
C88    C87     1.417   .     S
H49    C126    1.119   .     S
H53    C136    1.116   .     S
H54    C130    1.108   .     S
H85    C87     1.114   .     S
C96    C10     1.441   1_455 S
N36    C114    1.445   .     S
N36    C123    1.496   .     S
N36    C115    1.415   .     S
N39    C117    1.490   .     S
N39    C122    1.438   .     S
N39    C113    1.491   .     S
C122   C85     1.455   .     S
N49    C147    1.360   .     S
N49    C149    1.359   .     S
N50    C147    1.380   .     S
N50    C148    1.348   .     S
N51    C148    1.346   .     S
N51    C149    1.317   .     S
N52    C159    1.372   .     S
N52    C158    1.400   .     S
N53    C158    1.342   .     S
N53    C150    1.348   .     S
N54    C159    1.347   .     S
N54    C150    1.368   .     S
N55    C161    1.301   .     S
N55    C160    1.348   .     S
N56    C151    1.361   .     S
N56    C160    1.375   .     S
N57    C151    1.341   .     S
N57    C161    1.366   .     S
N58    C152    1.326   .     S
N58    C163    1.349   .     S
N59    C152    1.348   .     S
N59    C162    1.291   .     S
N60    C162    1.351   .     S
N60    C163    1.349   .     S
C147   C229    1.422   .     S
C148   C236    1.430   .     S
C149   C239    1.430   .     S
C150   C231    1.445   .     S
C151   C233    1.418   .     S
C152   C234    1.435   .     S
C158   H126    1.106   .     S
C159   H124    1.133   .     S
C160   H156    1.098   .     S
C161   H155    1.120   .     S
C162   H162    1.084   .     S
C163   H159    1.077   .     S
H94    C205    1.056   .     S
H100   C180    1.100   .     S
H101   C188    1.080   .     S
H102   C201    1.071   .     S
H112   C183    1.130   .     S
H113   C186    1.062   .     S
H114   C191    1.109   .     S
H115   C195    1.077   .     S
H116   C199    1.079   .     S
H117   C203    1.078   .     S
H118   C208    1.077   .     S
H119   C212    1.116   .     S
H120   C217    1.070   .     S
H121   C219    1.075   .     S
H122   C221    1.099   .     S
H123   C224    1.101   .     S
H129   C170    1.102   .     S
H130   C172    1.096   .     S
H131   C174    1.096   .     S
H132   C176    1.112   .     S
H133   C178    1.088   .     S
H134   C179    1.127   .     S
H135   C181    1.041   .     S
H136   C182    1.095   .     S
H137   C184    1.082   .     S
H138   C185    1.068   .     S
H141   C190    1.098   .     S
N64    C245    1.445   .     S
N64    C246    1.436   .     S
N64    C244    1.482   .     S
C166   C205    1.445   .     S
C170   C255    1.415   .     S
C170   C172    1.446   .     S
C172   C234    1.422   .     S
C174   C234    1.489   .     S
C174   C176    1.447   .     S
C176   C255    1.433   .     S
C178   C179    1.393   .     S
C178   C251    1.438   .     S
C179   C239    1.438   .     S
C180   C188    1.418   .     S
C180   C253    1.449   .     S
C181   C239    1.436   .     S
C181   C182    1.416   .     S
C182   C251    1.414   .     S
C183   C245    1.424   .     S
C183   C186    1.426   .     S
C184   C185    1.449   .     S
C184   C247    1.398   .     S
C185   C187    1.427   .     S
C186   C231    1.408   .     S
C187   C189    1.437   .     S
C187   H139    1.161   1_455 S
C188   C229    1.415   .     S
C189   C190    1.398   .     S
C189   H140    1.067   1_455 S
C190   C247    1.427   .     S
C191   C195    1.422   .     S
C191   C231    1.410   .     S
C195   C245    1.481   .     S
C199   C244    1.420   .     S
C199   C203    1.385   .     S
C201   C229    1.442   .     S
C201   C210    1.414   .     S
C203   C236    1.414   .     S
C205   C222    1.390   .     S
C208   C236    1.445   .     S
C208   C212    1.465   .     S
C210   C253    1.436   .     S
C212   C244    1.450   .     S
C217   C246    1.453   .     S
C217   C219    1.411   .     S
C219   C233    1.480   .     S
C221   C233    1.461   .     S
C221   C224    1.428   .     S
C222   H93     1.117   .     S
C222   C173    1.445   .     S
C224   C246    1.418   .     S
C225   C173    1.431   .     S
N68    C255    1.434   .     S
N68    C251    1.476   .     S
N68    C247    1.488   .     S
N93    C282    1.382   .     S
N93    C269    1.359   .     S
N95    C269    1.358   .     S
N95    C268    1.330   .     S
C269   H235    1.055   .     S
H217   C308    1.122   .     S
H218   C310    1.079   .     S
C282   C351    1.435   .     S
C282   N94     1.377   .     S
C308   C351    1.450   .     S
C308   C310    1.414   .     S
C310   C364    1.414   .     S
C351   C306    1.426   .     S
C364   C305    1.439   .     S
H244   C381    1.107   .     S
H245   C382    1.090   .     S
H246   C411    1.074   .     S
H247   C398    1.108   .     S
H248   C409    1.082   .     S
H249   C428    1.127   .     S
H250   C441    1.118   .     S
H251   C450    1.116   .     S
H252   C420    1.082   .     S
H253   C401    1.113   .     S
H254   C445    1.175   .     S
H255   C459    1.092   .     S
H256   C453    1.057   .     S
H257   C460    1.116   .     S
H260   C421    1.072   .     S
H272   C422    1.136   .     S
H273   C425    1.075   .     S
H274   C454    1.049   .     S
H275   C456    1.078   .     S
H276   C426    1.109   .     S
H277   C407    1.109   .     S
H278   C452    1.111   .     S
H279   C455    1.122   .     S
H280   C457    1.070   .     S
H281   C416    1.123   .     S
H282   C403    1.079   .     S
H283   C423    1.133   .     S
H284   C433    1.111   .     S
H287   C400    1.069   .     S
H288   C402    1.108   .     S
H289   C404    1.134   .     S
H290   C406    1.060   .     S
H291   C408    1.072   .     S
H292   C410    1.019   .     S
H293   C412    1.070   .     S
H294   C413    1.114   .     S
H295   C414    1.069   .     S
H296   C415    1.078   .     S
H297   C417    1.173   .     S
H298   C419    1.108   .     S
H299   C379    1.128   .     S
H300   C427    1.092   1_545 S
H305   C436    1.082   .     S
H306   C437    1.100   .     S
H307   C438    1.119   .     S
H308   C440    1.085   .     S
H309   C442    1.106   .     S
H310   C444    1.126   .     S
H311   C446    1.047   .     S
H312   C447    1.065   .     S
H313   C449    1.130   .     S
H316   C385    1.109   .     S
H317   C384    1.062   .     S
N104   C382    1.435   .     S
N104   C381    1.334   .     S
N105   C386    1.382   .     S
N105   C389    1.334   .     S
N106   C388    1.315   .     S
N106   C386    1.341   .     S
N107   C387    1.316   .     S
N107   C377    1.351   1_556 S
N108   C387    1.365   .     S
N108   C376    1.365   .     S
N110   C388    1.393   .     S
N110   C389    1.342   .     S
N113   C391    1.327   .     S
N113   C390    1.312   .     S
N114   C382    1.342   .     S
N114   C394    1.339   .     S
N115   C392    1.353   .     S
N115   C379    1.386   .     S
N116   C392    1.362   .     S
N116   C393    1.317   .     S
N117   C393    1.347   .     S
N117   C379    1.357   .     S
N118   C381    1.354   .     S
N118   C394    1.357   .     S
N122   C384    1.352   .     S
N122   C385    1.344   .     S
N123   C384    1.321   .     S
N123   C396    1.340   .     S
N124   C396    1.365   .     S
N124   C385    1.366   .     S
C376   N109    1.348   1_556 S
C376   H286    1.168   1_455 S
C386   C469    1.388   .     S
C387   C468    1.411   .     S
C388   C462    1.433   .     S
C389   C466    1.443   .     S
C390   C471    1.457   .     S
C390   N112    1.352   1_556 S
C391   C461    1.451   .     S
C391   N111    1.318   1_556 S
C392   C465    1.458   .     S
C393   C463    1.426   .     S
C394   C470    1.436   .     S
C396   C467    1.393   .     S
N125   C482    1.442   .     S
N125   C473    1.440   .     S
N125   C475    1.423   .     S
N126   C477    1.454   .     S
N126   C483    1.461   .     S
N126   C481    1.429   .     S
N128   C476    1.442   .     S
N128   C485    1.471   .     S
N128   C484    1.447   .     S
N129   C486    1.513   .     S
N129   C478    1.429   .     S
N129   C472    1.435   1_545 S
C398   C411    1.447   .     S
C398   C461    1.448   .     S
C400   C477    1.444   .     S
C400   C402    1.415   .     S
C401   C473    1.421   .     S
C401   C420    1.451   .     S
C402   C466    1.435   .     S
C403   C416    1.470   .     S
C403   C462    1.451   .     S
C404   C466    1.408   .     S
C404   C406    1.382   .     S
C406   C477    1.441   .     S
C407   C452    1.392   .     S
C407   C426    1.405   .     S
C408   C410    1.458   .     S
C408   C481    1.404   .     S
C409   C461    1.482   .     S
C409   C428    1.469   .     S
C410   C463    1.416   .     S
C411   C482    1.415   .     S
C412   C413    1.415   .     S
C412   C463    1.461   .     S
C413   C481    1.422   .     S
C414   C483    1.425   .     S
C414   C415    1.383   .     S
C415   C467    1.422   .     S
C416   C484    1.410   .     S
C417   C467    1.489   .     S
C417   C419    1.479   .     S
C419   C483    1.392   .     S
C420   C470    1.481   .     S
C422   C485    1.452   .     S
C422   C425    1.425   .     S
C423   C433    1.430   .     S
C423   C462    1.335   .     S
C425   C468    1.450   .     S
C426   C476    1.413   .     S
C428   C482    1.391   .     S
C433   C484    1.384   .     S
C436   C486    1.420   .     S
C436   C437    1.453   .     S
C437   C438    1.431   .     S
C438   C440    1.443   .     S
C440   C442    1.403   .     S
C441   C450    1.425   .     S
C441   C473    1.445   .     S
C442   C486    1.450   .     S
C444   C478    1.461   .     S
C444   C446    1.424   .     S
C445   C475    1.419   .     S
C445   C459    1.450   .     S
C446   C465    1.438   .     S
C447   C449    1.390   .     S
C447   C465    1.407   .     S
C449   C478    1.420   .     S
C450   C470    1.430   .     S
C452   C455    1.392   .     S
C453   C460    1.417   .     S
C453   C469    1.464   .     S
C454   C456    1.450   .     S
C454   C468    1.439   .     S
C455   C457    1.432   .     S
C456   C485    1.474   .     S
C457   C476    1.400   .     S
C459   C469    1.438   .     S
C460   C475    1.481   .     S
C471   C421    1.463   .     S
C471   C431    1.412   .     S
H318   C495    1.082   .     S
H319   C487    1.142   .     S
H320   C571    1.147   .     S
H321   C574    1.102   .     S
H322   C523    1.117   .     S
H323   C583    1.031   .     S
H324   C537    1.083   .     S
H325   C546    1.133   .     S
H326   C558    1.114   .     S
H327   C567    1.130   .     S
H328   C579    1.080   .     S
H329   C585    1.067   .     S
H330   C586    1.130   .     S
H331   C529    1.058   .     S
H332   C504    1.132   .     S
H333   C488    1.137   .     S
H334   C530    1.099   .     S
H335   C594    1.082   .     S
H336   C527    1.119   .     S
H337   C535    1.047   .     S
H338   C540    1.074   .     S
H339   C544    1.173   .     S
H340   C549    1.136   .     S
H341   C552    1.063   .     S
H342   C556    1.078   .     S
H343   C560    1.094   .     S
H344   C565    1.104   .     S
H345   C569    1.112   .     S
H361   C590    1.122   .     S
H362   C582    1.101   .     S
H364   C531    1.125   .     S
H365   C575    1.076   .     S
H366   C580    1.071   .     S
H374   C492    1.074   .     S
N130   C495    1.363   .     S
N130   C487    1.314   .     S
N131   C509    1.380   .     S
N131   C518    1.333   .     S
N132   C518    1.347   .     S
N132   C504    1.333   .     S
N133   C504    1.357   .     S
N133   C509    1.369   .     S
N134   C508    1.323   .     S
N134   C487    1.340   .     S
N135   C488    1.368   .     S
N135   C516    1.340   .     S
N136   C516    1.347   .     S
N136   C521    1.359   .     S
N137   C488    1.333   .     S
N137   C521    1.393   .     S
N141   C507    1.354   .     S
N141   C492    1.331   .     S
N142   C507    1.318   .     S
N142   C491    1.379   .     S
N143   C491    1.325   .     S
N143   C492    1.327   .     S
N150   C495    1.388   .     S
N150   C508    1.361   .     S
C491   H375    1.092   1_455 S
C507   C604    1.409   .     S
C508   C610    1.450   .     S
C509   C596    1.399   .     S
C516   C601    1.465   .     S
C518   C612    1.443   .     S
C521   C611    1.394   .     S
N166   C613    1.423   .     S
N166   C618    1.474   .     S
N166   C625    1.473   .     S
N169   C629    1.429   .     S
N169   C626    1.472   .     S
N169   C617    1.462   .     S
C523   C583    1.426   .     S
C523   C596    1.384   .     S
C527   C601    1.416   .     S
C527   C535    1.363   .     S
C529   C586    1.438   .     S
C529   C629    1.446   .     S
C530   C613    1.399   .     S
C530   C594    1.398   .     S
C531   C575    1.398   .     S
C531   C593    1.431   .     S
C535   C613    1.408   .     S
C537   C617    1.402   .     S
C537   C546    1.418   .     S
C540   C618    1.391   .     S
C540   C544    1.415   .     S
C544   C600    1.453   .     S
C546   C610    1.484   .     S
C549   C600    1.445   .     S
C549   C552    1.380   .     S
C552   C618    1.389   .     S
C556   C625    1.457   .     S
C556   C560    1.457   .     S
C558   C567    1.440   .     S
C558   C610    1.440   .     S
C560   C604    1.424   .     S
C565   C569    1.443   .     S
C565   C604    1.410   .     S
C567   C617    1.440   .     S
C569   C625    1.477   .     S
C571   C574    1.409   .     S
C571   C626    1.434   .     S
C574   C596    1.417   .     S
C575   C580    1.401   .     S
C579   C585    1.412   .     S
C579   C629    1.391   .     S
C580   C584    1.415   .     S
C582   C590    1.420   .     S
C582   C624    1.443   .     S
C583   C626    1.409   .     S
C585   C611    1.458   .     S
C586   C611    1.413   .     S
C590   C612    1.447   .     S
C591   C612    1.417   .     S
C591   H360    1.105   .     S
C591   C587    1.393   .     S
C594   C601    1.432   .     S
N175   C689    1.320   .     S
N175   C634    1.367   .     S
N176   C689    1.335   .     S
N176   C698    1.349   .     S
N177   C634    1.391   .     S
N177   C698    1.368   .     S
C634   C683    1.390   .     S
C640   C641    1.417   .     S
C640   H438    1.120   .     S
C640   C683    1.430   .     S
C641   H413    1.089   .     S
C641   C685    1.489   .     S
C675   C683    1.430   .     S
C675   H415    1.159   .     S
C675   C659    1.383   .     S
H434   C689    1.166   .     S
H446   C698    1.084   .     S
H460   C791    1.087   .     S
H461   C747    1.133   .     S
H462   C774    1.134   .     S
H463   C788    1.069   .     S
C747   C791    1.401   .     S
C747   C817    1.411   .     S
C774   C788    1.405   .     S
C774   C818    1.416   .     S
C788   C807    1.420   1_556 S
C791   C800    1.443   1_556 S
N231   C847    1.358   .     S
N231   C845    1.325   .     S
N232   C847    1.393   .     S
N232   C824    1.349   .     S
N233   C824    1.399   .     S
N233   C845    1.336   .     S
N235   C839    1.355   .     S
N235   C825    1.353   .     S
N237   C827    1.342   .     S
N237   C828    1.360   .     S
N238   C837    1.348   .     S
N238   C827    1.349   .     S
N239   C837    1.295   .     S
N239   C828    1.402   .     S
N240   C829    1.352   .     S
N240   C840    1.394   .     S
N241   C829    1.355   .     S
N241   C830    1.373   .     S
N242   C840    1.348   .     S
N242   C830    1.370   .     S
N243   C841    1.352   .     S
N243   C831    1.331   .     S
N244   C841    1.357   .     S
N244   C842    1.310   .     S
N245   C831    1.349   .     S
N245   C842    1.355   .     S
N253   C835    1.373   .     S
N253   C848    1.374   .     S
N254   C848    1.377   .     S
N254   C836    1.315   1_545 S
C824   H534    1.031   .     S
C825   H550    1.067   .     S
C825   N236    1.331   .     S
C827   H566    1.150   .     S
C828   H563    1.128   .     S
C829   H568    1.138   .     S
C830   H570    1.136   .     S
C831   H572    1.116   .     S
C835   H608    1.042   .     S
C835   N252    1.346   1_545 S
H536   C851    1.109   .     S
H537   C868    1.128   .     S
H539   C907    1.083   .     S
H540   C852    1.088   .     S
H541   C864    1.118   .     S
H542   C876    1.153   .     S
H543   C882    1.117   .     S
H544   C895    1.109   .     S
H545   C904    1.155   .     S
H546   C910    1.150   .     S
H547   C909    1.099   .     S
H549   C854    1.154   .     S
H551   C862    1.096   .     S
H552   C866    1.050   .     S
H553   C871    1.104   .     S
H554   C874    1.109   .     S
H555   C879    1.136   .     S
H556   C881    1.101   1_556 S
H561   C902    1.118   .     S
H562   C906    1.066   .     S
H565   C859    1.045   .     S
H569   C857    1.062   .     S
H575   C855    1.112   .     S
H576   C853    1.103   .     S
H591   C858    1.072   .     S
H593   C885    1.173   .     S
H594   C887    1.050   .     S
H595   C888    1.091   .     S
H596   C890    1.083   .     S
H597   C891    1.086   .     S
H598   C892    1.093   .     S
H599   C894    1.125   .     S
H600   C896    1.094   .     S
H601   C898    1.147   .     S
H602   C900    1.106   .     S
H603   C901    1.066   .     S
H604   C903    1.130   .     S
H605   C905    1.103   .     S
C837   C922    1.410   .     S
C839   C921    1.410   .     S
C839   N234    1.341   .     S
C840   C917    1.452   .     S
C841   C920    1.407   .     S
C842   C914    1.407   .     S
C845   C913    1.458   .     S
C847   C924    1.426   .     S
C848   C918    1.416   .     S
N255   C927    1.404   .     S
N255   C925    1.444   .     S
N255   C926    1.429   .     S
N256   C930    1.375   .     S
N256   C929    1.470   .     S
N256   C928    1.388   .     S
C851   C928    1.427   .     S
C851   C868    1.388   .     S
C852   C930    1.433   .     S
C852   C864    1.390   .     S
C853   C857    1.423   .     S
C853   C927    1.409   .     S
C854   C859    1.411   .     S
C854   C927    1.427   .     S
C855   C858    1.445   .     S
C855   C926    1.425   .     S
C856   C925    1.373   .     S
C856   H564    1.110   1_556 S
C856   C911    1.477   1_556 S
C857   C924    1.432   .     S
C858   C916    1.433   1_556 S
C859   C924    1.415   .     S
C862   C936    1.439   .     S
C862   C866    1.435   .     S
C864   C913    1.476   .     S
C866   C920    1.428   .     S
C868   C921    1.422   .     S
C871   C920    1.413   .     S
C871   C874    1.447   .     S
C874   C936    1.453   .     S
C876   C882    1.389   .     S
C876   C913    1.420   .     S
C879   C937    1.392   .     S
C879   C881    1.415   1_556 S
C882   C930    1.403   .     S
C885   C935    1.381   .     S
C885   C887    1.432   .     S
C887   C888    1.443   .     S
C888   C890    1.406   .     S
C890   C891    1.412   .     S
C891   C935    1.456   .     S
C892   C894    1.376   .     S
C892   C938    1.462   .     S
C894   C914    1.433   .     S
C895   C904    1.405   .     S
C895   C929    1.475   .     S
C896   C914    1.396   .     S
C896   C898    1.423   .     S
C897   C917    1.414   .     S
C897   H560    1.098   1_556 S
C897   C893    1.455   1_556 S
C898   C938    1.411   .     S
C899   C907    1.404   .     S
C899   C921    1.419   .     S
C899   H538    1.137   .     S
C900   C901    1.446   .     S
C900   C931    1.430   .     S
C901   C918    1.444   .     S
C902   C906    1.419   .     S
C902   C917    1.448   .     S
C903   C918    1.463   .     S
C903   C905    1.409   .     S
C904   C922    1.439   .     S
C905   C931    1.388   .     S
C906   C933    1.402   .     S
C907   C928    1.410   .     S
C909   C929    1.463   .     S
C909   C910    1.405   .     S
C910   C922    1.447   .     S
C925   C850    1.421   .     S
C926   C908    1.425   1_556 S
N258   C937    1.473   .     S
N258   C933    1.445   .     S
N258   C936    1.412   .     S
N259   C938    1.471   .     S
N259   C935    1.476   .     S
N259   C931    1.430   .     S
C933   C893    1.398   1_556 S
C937   C889    1.440   1_556 S
N266   C945    1.333   .     S
N266   C1096   1.380   .     S
N272   C949    1.338   .     S
N272   C1090   1.372   .     S
N273   C1093   1.361   .     S
N273   C1090   1.326   .     S
N274   C949    1.347   .     S
N274   C1093   1.399   .     S
N278   C1089   1.396   .     S
N278   C952    1.355   .     S
N279   C1085   1.334   .     S
N279   C952    1.301   .     S
N280   C1089   1.353   .     S
N280   C1085   1.358   .     S
C945   C1052   1.411   .     S
C945   N268    1.345   1_556 S
C949   C1056   1.433   .     S
C952   C1051   1.469   .     S
N294   C1065   1.380   .     S
N294   C1064   1.422   .     S
N294   C1067   1.377   .     S
C979   C980    1.409   .     S
C979   C1065   1.484   .     S
C979   H663    1.088   .     S
C980   C1056   1.438   .     S
C980   H668    1.050   .     S
C981   H676    1.096   .     S
C981   C1056   1.461   .     S
C981   C982    1.422   .     S
C982   H680    1.088   .     S
C982   C1065   1.453   .     S
C983   C984    1.436   .     S
C983   H684    1.080   .     S
C983   C1064   1.456   .     S
C984   C985    1.424   .     S
C984   H687    1.076   1_556 S
C985   C986    1.407   .     S
C985   H691    1.054   1_556 S
C986   H695    1.075   .     S
C986   C987    1.446   .     S
C987   C1064   1.435   .     S
C987   H699    1.092   .     S
C988   H707    1.141   .     S
C988   C989    1.427   .     S
C988   C1067   1.447   .     S
C989   C1052   1.441   .     S
C989   H712    1.127   1_556 S
C990   C1052   1.454   .     S
C990   H611    1.111   .     S
C990   C991    1.372   .     S
C991   H612    1.138   .     S
C991   C1067   1.423   .     S
C999   C1000   1.421   .     S
C999   H625    1.100   .     S
C1000  C1001   1.405   .     S
C1000  H627    1.118   .     S
C1001  H629    1.060   .     S
C1001  C1002   1.412   .     S
C1009  C1082   1.445   .     S
C1009  C1010   1.459   .     S
C1009  H644    1.141   .     S
C1011  H646    1.113   .     S
C1011  C1012   1.430   .     S
C1011  C1055   1.408   .     S
C1012  H648    1.082   .     S
C1012  C1082   1.461   .     S
C1013  C1014   1.431   .     S
C1013  C1075   1.426   .     S
C1013  H649    1.109   .     S
C1014  H651    1.086   .     S
C1014  C1046   1.437   .     S
C1015  H653    1.087   .     S
C1015  C1046   1.457   .     S
C1015  C1016   1.429   .     S
C1016  H654    1.167   .     S
C1016  C1075   1.463   .     S
C1017  C1018   1.427   .     S
C1017  H656    1.074   .     S
C1017  C1071   1.419   .     S
C1018  C1051   1.397   .     S
C1018  H657    1.154   .     S
C1019  C1051   1.419   .     S
C1019  C1020   1.452   .     S
C1019  H659    1.105   .     S
C1020  C1071   1.427   .     S
C1020  H660    1.116   .     S
C1035  C1073   1.472   .     S
C1035  C1036   1.425   .     S
C1035  H692    1.044   .     S
C1036  H694    1.077   .     S
C1036  C1037   1.438   .     S
C1037  C1038   1.423   .     S
C1037  H696    1.121   .     S
C1038  C1039   1.416   .     S
H640   C1090   1.070   .     S
H642   C1093   1.136   .     S
H650   C1096   1.098   .     S
H666   C1089   1.092   .     S
H669   C1085   1.141   .     S
H681   C1028   1.152   .     S
H682   C1029   1.152   .     S
N295   C1075   1.422   .     S
N295   C1082   1.475   .     S
N295   C1071   1.482   .     S
C1073  C1039   1.374   .     S
C1073  N296    1.398   .     S
C1096  N267    1.327   1_556 S
H716   C1129   1.070   .     S
H717   C1133   1.104   .     S
H720   C1159   1.116   .     S
H721   C1168   1.121   .     S
H722   C1180   1.123   .     S
H723   C1131   1.081   .     S
H724   C1184   1.017   .     S
H728   C1136   1.096   .     S
H729   C1140   1.084   .     S
H732   C1154   1.102   .     S
H733   C1157   1.101   .     S
H735   C1166   1.102   .     S
H736   C1171   1.070   .     S
H737   C1174   1.168   .     S
H752   C1100   1.099   .     S
H753   C1099   1.062   .     S
H756   C1105   1.097   .     S
H757   C1103   1.041   .     S
H760   C1135   1.075   .     S
H761   C1137   1.089   .     S
H762   C1139   1.107   .     S
H763   C1141   1.081   .     S
H764   C1143   1.098   .     S
H765   C1144   1.123   .     S
H766   C1146   1.140   .     S
H767   C1148   1.125   .     S
H768   C1150   1.136   .     S
H769   C1152   1.086   .     S
H770   C1153   1.075   .     S
H771   C1155   1.059   .     S
H772   C1156   1.143   .     S
H773   C1158   1.147   .     S
H779   C1169   1.065   .     S
H780   C1170   1.138   .     S
H787   C1109   1.077   .     S
N301   C1111   1.295   .     S
N301   C1120   1.350   .     S
N302   C1121   1.360   .     S
N302   C1120   1.348   .     S
N303   C1111   1.359   .     S
N303   C1121   1.322   .     S
N304   C1099   1.329   .     S
N304   C1100   1.332   .     S
N306   C1112   1.377   .     S
N306   C1099   1.342   .     S
N307   C1112   1.314   .     S
N307   C1100   1.361   .     S
N312   C1105   1.332   .     S
N312   C1103   1.361   .     S
N314   C1103   1.361   .     S
N314   C1116   1.308   .     S
N315   C1116   1.410   .     S
N315   C1105   1.329   .     S
N321   C1109   1.361   .     S
N321   C1122   1.363   .     S
C1109  N322    1.350   1_556 S
C1111  C1196   1.444   .     S
C1112  C1195   1.444   .     S
C1116  C1190   1.379   .     S
C1120  C1193   1.393   .     S
C1121  C1192   1.420   .     S
N325   C1208   1.436   .     S
N325   C1199   1.446   .     S
N325   C1200   1.464   .     S
N327   C1206   1.457   .     S
N327   C1207   1.440   .     S
N327   C1198   1.413   .     S
C1129  C1206   1.394   .     S
C1129  C1133   1.416   .     S
C1131  C1180   1.407   .     S
C1131  C1207   1.456   .     S
C1133  C1188   1.450   .     S
C1135  C1137   1.446   .     S
C1135  C1208   1.416   .     S
C1136  C1210   1.428   .     S
C1136  C1140   1.392   .     S
C1137  C1139   1.395   .     S
C1139  C1141   1.440   .     S
C1140  C1189   1.442   .     S
C1141  C1143   1.429   .     S
C1143  C1208   1.462   .     S
C1144  C1200   1.406   .     S
C1144  C1146   1.407   .     S
C1145  C1149   1.414   .     S
C1145  C1189   1.449   .     S
C1145  H730    1.128   .     S
C1146  C1148   1.434   .     S
C1148  C1150   1.403   .     S
C1149  C1210   1.449   .     S
C1149  H731    1.138   .     S
C1150  C1152   1.395   .     S
C1152  C1200   1.451   .     S
C1153  C1199   1.467   .     S
C1153  C1155   1.415   .     S
C1154  C1157   1.426   .     S
C1154  C1212   1.407   .     S
C1155  C1196   1.427   .     S
C1156  C1196   1.443   .     S
C1156  C1158   1.427   .     S
C1157  C1191   1.449   .     S
C1158  C1199   1.442   .     S
C1159  C1168   1.419   .     S
C1159  C1207   1.419   .     S
C1163  C1191   1.436   .     S
C1163  C1166   1.419   .     S
C1163  H734    1.095   .     S
C1166  C1212   1.448   .     S
C1168  C1190   1.434   .     S
C1169  C1170   1.419   .     S
C1169  C1205   1.470   .     S
C1170  C1187   1.473   .     S
C1171  C1174   1.402   .     S
C1171  C1211   1.431   .     S
C1174  C1192   1.432   .     S
C1178  C1182   1.415   .     S
C1178  C1192   1.484   .     S
C1178  H738    1.086   .     S
C1180  C1190   1.381   .     S
C1182  C1211   1.446   .     S
C1182  H739    1.115   .     S
C1184  C1130   1.392   .     S
C1184  C1198   1.447   .     S
C1189  C1118   1.398   .     S
C1191  C1117   1.428   .     S
C1206  C1147   1.441   .     S
N328   C1210   1.457   .     S
N328   C1211   1.452   .     S
N328   C1212   1.399   .     S
N380   C1433   1.384   .     S
N380   C1430   1.341   1_455 S
N381   C1415   1.337   .     S
N381   C1430   1.366   1_455 S
N382   C1433   1.356   .     S
N382   C1415   1.384   .     S
C1415  H924    1.069   .     S
H945   C1474   1.152   1_556 S
H961   C1486   1.121   .     S
C1433  C1494   1.398   .     S
C1486  C1494   1.392   .     S
C1486  C1474   1.448   1_556 S
C1494  C1476   1.433   1_556 S
N439   C1613   1.334   .     S
N439   C1610   1.310   .     S
N440   C1750   1.354   .     S
N440   C1610   1.339   .     S
N451   C1757   1.387   .     S
N451   C1756   1.337   .     S
C1610  C1718   1.399   .     S
N463   C1730   1.455   .     S
N463   C1731   1.441   .     S
N463   C1729   1.427   .     S
C1635  H1118   1.085   .     S
C1635  C1731   1.479   .     S
C1635  C1636   1.482   .     S
C1636  H1048   1.084   .     S
C1636  C1718   1.442   .     S
C1637  C1730   1.475   .     S
C1637  H1057   1.117   .     S
C1637  C1651   1.446   .     S
C1638  C1718   1.421   .     S
C1638  C1652   1.415   .     S
C1638  H1059   1.116   .     S
C1652  C1731   1.389   .     S
C1652  H1138   1.115   .     S
C1676  C1677   1.435   .     S
C1676  H1086   1.107   .     S
C1676  C1744   1.449   .     S
C1677  H1088   1.069   .     S
C1677  C1678   1.414   .     S
C1678  H1090   1.101   .     S
C1678  C1679   1.426   .     S
C1679  H1091   1.071   .     S
C1679  C1680   1.409   .     S
C1680  H1092   1.102   .     S
C1680  C1744   1.433   .     S
H1122  C1651   1.105   .     S
H1126  C1699   1.110   .     S
H1146  C1711   1.035   1_455 S
H1148  C1757   1.122   .     S
C1730  C1654   1.417   .     S
C1757  N452    1.323   .     S
N16    C9      1.349   .     S
N16    C140    1.336   .     S
N17    C9      1.336   .     S
N17    C10     1.373   .     S
N18    C10     1.340   .     S
N18    C140    1.330   .     S
N31    C141    1.338   .     S
N31    C16     1.359   .     S
N32    C16     1.334   .     S
N32    C138    1.352   .     S
N33    C138    1.362   .     S
N33    C141    1.356   .     S
C9     C94     1.429   .     S
C10    C96     1.441   1_655 S
C16    C103    1.437   .     S
C37    H19     1.124   .     S
C37    C54     1.411   .     S
C37    C121    1.453   .     S
C54    C94     1.449   .     S
C54    H27     1.111   .     S
C70    C72     1.434   .     S
C70    H52     1.095   .     S
C70    C94     1.380   .     S
C72    H58     1.105   .     S
C72    C121    1.417   .     S
C76    H66     1.121   .     S
C76    C77     1.427   .     S
C76    C113    1.435   .     S
C77    H67     1.101   .     S
C77    C78     1.421   .     S
C78    C79     1.467   .     S
C78    H69     1.079   .     S
C79    H71     1.132   .     S
C79    C80     1.443   .     S
C80    C113    1.415   .     S
C80    H73     1.098   .     S
C85    H81     1.091   .     S
C85    C86     1.434   .     S
C86    C103    1.483   .     S
C86    H83     1.121   .     S
C87    C103    1.478   .     S
H1     C26     1.102   1_556 S
H22    C127    1.077   1_556 S
H25    C140    1.113   .     S
H45    C67     1.119   1_655 S
H57    C89     1.103   1_556 S
H77    C19     1.101   1_556 S
H82    C25     1.143   1_556 S
H88    C141    1.086   .     S
H91    C138    1.125   .     S
N37    C121    1.467   .     S
N37    C120    1.515   1_556 S
N37    C116    1.405   1_556 S
H139   C187    1.161   1_655 S
H140   C189    1.067   1_655 S
N94    C268    1.367   .     S
C268   H238    1.080   .     S
H215   C305    1.146   .     S
H216   C306    1.113   .     S
C305   C306    1.400   .     S
H259   C418    1.123   .     S
H262   C435    1.093   .     S
H263   C439    1.129   .     S
H264   C443    1.033   .     S
H265   C448    1.070   .     S
H266   C451    1.122   .     S
H267   C458    1.049   .     S
H268   C424    1.117   .     S
H269   C399    1.090   .     S
H270   C397    1.138   .     S
H271   C405    1.126   .     S
H286   C376    1.168   1_655 S
N121   C395    1.368   .     S
N121   C383    1.330   1_556 S
C395   C464    1.380   .     S
C395   N120    1.315   1_556 S
N127   C474    1.435   .     S
N127   C480    1.438   .     S
N127   C479    1.446   .     S
C397   C399    1.403   .     S
C397   C405    1.478   .     S
C399   C424    1.392   .     S
C405   C480    1.432   .     S
C418   C421    1.435   .     S
C418   C474    1.442   .     S
C424   C458    1.429   .     S
C431   C435    1.469   .     S
C431   H261    1.055   1_556 S
C435   C474    1.443   .     S
C439   C443    1.353   .     S
C439   C479    1.392   .     S
C443   C464    1.452   .     S
C448   C464    1.433   .     S
C448   C451    1.409   .     S
C451   C479    1.413   .     S
C458   C480    1.379   .     S
H359   C587    1.101   .     S
H363   C593    1.130   .     S
H367   C584    1.075   .     S
H368   C592    1.077   .     S
H369   C595    1.139   .     S
H370   C562    1.058   .     S
H371   C525    1.109   .     S
H375   C491    1.092   1_655 S
H377   C494    1.077   .     S
H390   C553    1.114   .     S
H391   C554    1.119   .     S
H392   C555    1.154   .     S
H393   C557    1.109   .     S
H394   C559    1.098   .     S
H395   C561    1.072   .     S
H396   C563    1.140   .     S
H397   C564    1.092   .     S
H398   C566    1.061   .     S
H399   C568    1.116   .     S
H400   C570    1.104   .     S
H401   C572    1.138   .     S
H404   C500    1.130   .     S
H405   C498    1.146   .     S
H406   C501    1.104   .     S
H407   C502    1.110   .     S
N147   C512    1.407   .     S
N147   C494    1.352   .     S
N148   C513    1.387   .     S
N148   C512    1.361   .     S
N149   C494    1.384   .     S
N149   C513    1.364   .     S
N156   C498    1.335   .     S
N156   C500    1.310   .     S
N157   C498    1.336   .     S
N157   C517    1.358   .     S
N158   C500    1.355   .     S
N158   C517    1.339   .     S
N159   C501    1.344   .     S
N159   C519    1.361   .     S
N160   C501    1.356   .     S
N160   C502    1.301   .     S
N162   C502    1.351   .     S
N162   C519    1.341   .     S
C512   C603    1.389   .     S
C513   C598    1.387   .     S
C517   C597    1.397   .     S
C519   C609    1.424   .     S
N168   C621    1.484   .     S
N168   C628    1.434   .     S
N168   C622    1.473   .     S
N170   C619    1.462   .     S
N170   C630    1.458   .     S
N170   C624    1.499   .     S
C525   C630    1.422   .     S
C525   C562    1.391   .     S
C553   C554    1.451   .     S
C553   C622    1.430   .     S
C554   C597    1.424   .     S
C555   C557    1.462   .     S
C555   C597    1.474   .     S
C557   C622    1.421   .     S
C559   C621    1.419   .     S
C559   C561    1.452   .     S
C561   C603    1.457   .     S
C562   C598    1.414   .     S
C563   C603    1.401   .     S
C563   C564    1.448   .     S
C564   C621    1.412   .     S
C566   C568    1.437   .     S
C566   C628    1.437   .     S
C568   C609    1.462   .     S
C570   C609    1.407   .     S
C570   C572    1.443   .     S
C572   C628    1.373   .     S
C584   C619    1.477   .     S
C587   C624    1.435   .     S
C592   C595    1.453   .     S
C592   C630    1.398   .     S
C593   C619    1.385   .     S
C595   C598    1.439   .     S
N172   C633    1.404   .     S
N173   C631    1.393   .     S
N174   C631    1.345   .     S
N174   C633    1.299   .     S
N184   C637    1.339   .     S
N184   C697    1.374   .     S
N185   C693    1.360   .     S
N185   C637    1.352   .     S
N186   C697    1.375   .     S
N186   C693    1.345   .     S
N188   C638    1.332   .     S
N188   C692    1.299   .     S
C631   C682    1.402   .     S
C633   C679    1.405   .     S
C637   C677    1.411   .     S
C638   C681    1.461   .     S
C638   N187    1.384   .     S
N193   C685    1.406   .     S
N193   C687    1.453   .     S
N193   C686    1.387   .     S
C642   C677    1.445   .     S
C642   C643    1.455   .     S
C642   H456    1.116   .     S
C643   H420    1.172   .     S
C643   C687    1.448   .     S
C656   C686    1.418   .     S
C656   C657    1.426   .     S
C656   H419    1.090   .     S
C657   H422    1.180   .     S
C657   C682    1.436   .     S
C658   H426    1.094   .     S
C658   C682    1.448   .     S
C658   C660    1.376   .     S
C659   H450    1.107   .     S
C659   C685    1.455   .     S
C660   C686    1.405   .     S
C660   H449    1.146   .     S
C661   H429    1.149   .     S
C661   C704    1.397   .     S
C661   C662    1.382   .     S
C662   C681    1.435   .     S
C662   H430    1.174   .     S
C663   H432    1.106   .     S
C663   C664    1.455   .     S
C663   C681    1.434   .     S
C664   C704    1.419   .     S
C664   H433    1.093   .     S
C665   H435    1.071   .     S
C665   C666    1.423   .     S
C665   C700    1.429   .     S
C666   C676    1.413   .     S
C667   H439    1.109   .     S
C667   C676    1.433   .     S
C667   C668    1.431   .     S
C668   H441    1.112   .     S
C668   C700    1.414   .     S
C669   C705    1.467   .     S
C669   C670    1.453   .     S
C669   H442    1.090   .     S
C670   C679    1.431   .     S
C670   H443    1.121   .     S
C671   C679    1.406   .     S
C671   C672    1.428   .     S
C672   H447    1.143   .     S
C672   C705    1.445   .     S
C673   C674    1.455   .     S
C673   C687    1.517   .     S
C673   H454    1.079   .     S
C674   H457    1.057   .     S
C674   C677    1.410   .     S
H424   C697    1.092   .     S
H427   C693    1.094   .     S
N194   C700    1.452   .     S
N194   C705    1.440   .     S
N194   C704    1.466   .     S
C731   H532    1.076   .     S
C731   N221    1.359   .     S
C731   N222    1.355   .     S
N234   C826    1.325   .     S
N236   C826    1.374   .     S
N247   C844    1.335   .     S
N247   C843    1.330   .     S
N249   C834    1.374   .     S
N249   C833    1.347   .     S
N250   C833    1.340   .     S
N250   C846    1.339   .     S
N251   C846    1.337   .     S
N251   C834    1.312   .     S
C826   H548    1.098   .     S
C833   H592    1.182   .     S
C834   H590    1.150   .     S
H571   C883    1.121   .     S
H573   C850    1.123   .     S
H577   C860    1.113   .     S
H578   C861    1.058   .     S
H579   C863    1.145   .     S
H580   C865    1.049   .     S
H581   C867    1.141   .     S
H582   C869    1.128   .     S
H583   C870    1.101   .     S
H584   C872    1.060   .     S
H585   C873    1.127   .     S
H586   C875    1.102   .     S
H587   C877    1.116   .     S
H588   C878    1.170   .     S
H589   C880    1.089   .     S
C843   C923    1.448   .     S
C843   N246    1.362   1_556 S
C844   C912    1.427   .     S
C844   N248    1.322   1_556 S
C846   C919    1.426   .     S
C850   C883    1.396   .     S
C860   C861    1.415   .     S
C860   C939    1.477   .     S
C861   C919    1.384   .     S
C863   C919    1.408   .     S
C863   C865    1.427   .     S
C865   C939    1.438   .     S
C867   C869    1.405   .     S
C867   C932    1.420   .     S
C869   C870    1.482   .     S
C870   C872    1.442   .     S
C872   C873    1.411   .     S
C873   C932    1.379   .     S
C875   C934    1.432   .     S
C875   C877    1.415   .     S
C877   C923    1.444   .     S
C878   C880    1.390   .     S
C878   C923    1.424   .     S
C880   C934    1.432   .     S
C883   C912    1.395   .     S
C912   C911    1.442   1_556 S
N257   C932    1.432   .     S
N257   C939    1.453   .     S
N257   C934    1.463   .     S
H718   C1138   1.089   .     S
H719   C1147   1.033   .     S
H726   C1185   1.123   .     S
H727   C1126   1.075   .     S
H740   C1181   1.119   .     S
H741   C1123   1.084   .     S
H742   C1151   1.094   .     S
H743   C1134   1.113   .     S
H744   C1125   1.200   .     S
H745   C1128   1.085   .     S
H746   C1132   1.102   .     S
H747   C1142   1.123   .     S
H748   C1183   1.098   .     S
H749   C1124   1.158   .     S
H750   C1160   1.111   .     S
H751   C1127   1.135   .     S
H754   C1101   1.069   .     S
H755   C1102   1.104   .     S
N305   C1117   1.358   .     S
N305   C1113   1.332   .     S
N308   C1114   1.373   .     S
N308   C1101   1.345   .     S
N309   C1102   1.395   .     S
N309   C1101   1.362   .     S
N310   C1115   1.365   .     S
N310   C1113   1.318   .     S
N311   C1102   1.332   .     S
N311   C1114   1.336   .     S
N313   C1115   1.324   .     S
N313   C1117   1.342   .     S
C1113  C1197   1.388   .     S
C1114  C1186   1.419   .     S
C1115  C1188   1.432   .     S
N324   C1201   1.479   .     S
N324   C1202   1.423   .     S
N324   C1204   1.487   .     S
C1123  C1181   1.442   .     S
C1123  C1195   1.427   .     S
C1124  C1183   1.455   .     S
C1124  C1197   1.402   .     S
C1125  C1128   1.443   .     S
C1125  C1204   1.448   .     S
C1126  C1185   1.446   .     S
C1126  C1198   1.456   .     S
C1127  C1201   1.474   .     S
C1127  C1160   1.443   .     S
C1128  C1186   1.428   .     S
C1130  C1194   1.452   .     S
C1132  C1142   1.418   .     S
C1132  C1186   1.436   .     S
C1134  C1202   1.398   .     S
C1134  C1151   1.434   .     S
C1138  C1188   1.429   .     S
C1138  C1147   1.439   .     S
C1142  C1204   1.456   .     S
C1151  C1195   1.437   .     S
C1160  C1197   1.464   .     S
C1181  C1202   1.409   .     S
C1183  C1201   1.392   .     S
C1185  C1194   1.469   .     S
N347   C1223   1.340   .     S
N347   C1320   1.359   .     S
N348   C1320   1.368   .     S
N348   C1315   1.388   .     S
C1223  N349    1.330   .     S
C1223  C1299   1.418   .     S
C1237  C1238   1.467   .     S
C1237  H806    1.119   .     S
C1237  C1311   1.411   .     S
C1238  H809    1.138   .     S
C1238  C1239   1.406   .     S
C1239  C1240   1.423   .     S
C1239  H813    1.065   .     S
C1240  H816    1.133   .     S
C1240  C1241   1.421   .     S
C1258  H807    1.103   .     S
C1258  C1259   1.460   .     S
C1258  C1306   1.388   .     S
C1259  H808    1.082   .     S
C1259  C1299   1.449   .     S
C1287  H789    1.077   .     S
C1287  C1250   1.380   .     S
C1287  C1285   1.433   .     S
H791   C1250   1.036   .     S
H854   C1320   1.071   .     S
N386   C1431   1.378   .     S
N386   C1418   1.346   .     S
N387   C1432   1.331   .     S
N387   C1431   1.290   .     S
N388   C1432   1.347   .     S
N388   C1418   1.324   .     S
N395   C1423   1.356   .     S
N395   C1435   1.329   .     S
N396   C1423   1.327   .     S
N396   C1424   1.327   .     S
N397   C1435   1.313   .     S
N397   C1424   1.308   .     S
N398   C1426   1.329   .     S
N398   C1425   1.374   .     S
N399   C1425   1.355   .     S
N399   C1437   1.355   .     S
N400   C1426   1.346   .     S
N400   C1437   1.372   .     S
C1418  H941    1.141   .     S
C1423  H977    1.112   .     S
C1424  H980    1.125   .     S
C1425  H983    1.119   .     S
C1426  H981    1.107   .     S
H932   C1484   1.064   .     S
H933   C1478   1.087   .     S
H934   C1438   1.089   .     S
H935   C1443   1.090   .     S
H936   C1446   1.112   .     S
H937   C1450   1.080   .     S
H938   C1453   1.129   .     S
H939   C1456   1.102   .     S
H940   C1459   1.113   .     S
H965   C1455   1.128   .     S
H966   C1457   1.102   .     S
H967   C1458   1.079   .     S
H968   C1460   1.061   .     S
H969   C1462   1.139   .     S
H970   C1463   1.103   .     S
H971   C1465   1.127   .     S
H972   C1467   1.117   .     S
H973   C1468   1.124   .     S
H974   C1470   1.084   .     S
H975   C1471   1.119   .     S
H976   C1473   1.072   .     S
C1430  C1495   1.417   .     S
C1430  N381    1.366   1_655 S
C1430  N380    1.341   1_655 S
C1431  C1491   1.413   .     S
C1432  C1496   1.425   .     S
C1435  C1489   1.433   .     S
C1437  C1488   1.416   .     S
C1438  C1478   1.414   .     S
C1438  C1491   1.470   .     S
C1443  C1446   1.425   .     S
C1443  C1491   1.435   .     S
C1446  C1506   1.409   .     S
C1450  C1503   1.391   .     S
C1450  C1453   1.441   .     S
C1453  C1495   1.404   .     S
C1455  C1505   1.438   .     S
C1455  C1457   1.467   .     S
C1456  C1459   1.393   .     S
C1456  C1495   1.454   .     S
C1457  C1489   1.399   .     S
C1458  C1460   1.422   .     S
C1458  C1489   1.423   .     S
C1459  C1503   1.419   .     S
C1460  C1505   1.417   .     S
C1461  C1508   1.397   .     S
C1461  C1466   1.388   1_556 S
C1461  H929    1.126   1_556 S
C1462  C1509   1.472   .     S
C1462  C1463   1.426   .     S
C1463  C1496   1.466   .     S
C1465  C1467   1.406   .     S
C1465  C1496   1.410   .     S
C1467  C1509   1.419   .     S
C1468  C1470   1.453   .     S
C1468  C1502   1.450   .     S
C1470  C1488   1.422   .     S
C1471  C1488   1.421   .     S
C1471  C1473   1.500   .     S
C1473  C1502   1.421   .     S
C1478  C1506   1.428   .     S
C1484  C1508   1.415   .     S
C1484  C1477   1.456   .     S
N402   C1506   1.494   .     S
N402   C1503   1.466   .     S
N402   C1508   1.468   .     S
N404   C1509   1.463   .     S
N404   C1502   1.509   .     S
N404   C1505   1.406   .     S
H999   C1553   1.062   .     S
H1000  C1557   1.107   .     S
H1003  C1570   1.074   .     S
H1004  C1573   1.089   .     S
H1005  C1580   1.088   .     S
H1006  C1544   1.099   .     S
H1010  C1541   1.117   1_556 S
H1011  C1528   1.118   .     S
H1012  C1577   1.122   .     S
H1013  C1581   1.088   .     S
H1014  C1583   1.107   .     S
H1015  C1576   1.076   .     S
H1016  C1542   1.091   .     S
H1017  C1547   1.116   .     S
H1018  C1574   1.120   .     S
H1019  C1582   1.114   .     S
H1020  C1550   1.102   .     S
H1021  C1543   1.059   .     S
H1022  C1549   1.135   .     S
H1023  C1572   1.076   .     S
H1024  C1523   1.127   .     S
H1044  C1534   1.126   .     S
H1045  C1533   1.075   .     S
N405   C1528   1.340   .     S
N405   C1518   1.398   .     S
N406   C1517   1.307   .     S
N406   C1528   1.394   .     S
N407   C1517   1.340   .     S
N407   C1518   1.360   .     S
N409   C1523   1.346   .     S
N409   C1512   1.329   .     S
N411   C1523   1.349   .     S
N411   C1524   1.395   1_556 S
N425   C1533   1.379   .     S
N425   C1534   1.341   .     S
N426   C1520   1.342   .     S
N426   C1533   1.315   .     S
N427   C1520   1.322   .     S
N427   C1534   1.360   .     S
C1512  C1595   1.454   .     S
C1512  N412    1.372   1_556 S
C1517  C1588   1.445   .     S
C1518  C1590   1.405   .     S
C1520  C1589   1.441   .     S
N434   C1601   1.450   .     S
N434   C1602   1.492   .     S
N434   C1605   1.440   .     S
C1542  C1602   1.426   .     S
C1542  C1547   1.421   .     S
C1543  C1589   1.446   .     S
C1543  C1550   1.430   .     S
C1544  C1580   1.440   .     S
C1544  C1607   1.423   .     S
C1547  C1588   1.424   .     S
C1549  C1589   1.431   .     S
C1549  C1572   1.391   .     S
C1550  C1605   1.450   .     S
C1553  C1557   1.434   .     S
C1553  C1606   1.438   .     S
C1557  C1595   1.377   .     S
C1570  C1573   1.389   .     S
C1570  C1607   1.457   .     S
C1572  C1605   1.444   .     S
C1573  C1590   1.427   .     S
C1574  C1582   1.438   .     S
C1574  C1588   1.455   .     S
C1576  C1601   1.442   .     S
C1576  C1583   1.372   .     S
C1577  C1581   1.434   .     S
C1577  C1601   1.445   .     S
C1580  C1590   1.439   .     S
C1581  C1594   1.439   .     S
C1582  C1602   1.401   .     S
C1583  C1594   1.461   .     S
C1594  C1514   1.432   1_556 S
C1595  C1561   1.391   1_556 S
N435   C1607   1.398   .     S
N435   C1606   1.488   .     S
N435   C1608   1.434   1_556 S
C1606  C1565   1.457   1_556 S
N436   C1612   1.339   .     S
N436   C1611   1.330   .     S
N437   C1609   1.346   .     S
N437   C1611   1.329   .     S
N438   C1609   1.389   .     S
N438   C1612   1.387   .     S
N445   C1616   1.343   .     S
N445   C1753   1.336   .     S
N446   C1616   1.337   .     S
N446   C1761   1.359   .     S
N448   C1618   1.311   .     S
N448   C1754   1.379   .     S
N449   C1754   1.354   .     S
N449   C1617   1.356   .     S
N450   C1617   1.323   .     S
N450   C1618   1.326   .     S
N452   C1619   1.366   .     S
N453   C1756   1.368   .     S
N453   C1619   1.375   .     S
C1609  C1728   1.428   .     S
C1611  C1721   1.419   .     S
C1612  C1717   1.469   .     S
C1616  C1715   1.450   .     S
C1617  C1716   1.424   .     S
C1618  C1723   1.400   .     S
C1619  C1714   1.413   .     S
C1624  C1625   1.421   .     S
C1624  H1120   1.121   .     S
C1624  C1721   1.508   .     S
C1625  C1733   1.456   .     S
C1625  H1075   1.131   .     S
C1626  H1062   1.102   .     S
C1626  C1734   1.408   .     S
C1626  C1627   1.431   .     S
C1627  C1716   1.447   .     S
C1627  H1083   1.092   .     S
C1628  C1629   1.458   .     S
C1628  C1716   1.434   .     S
C1628  H1111   1.105   .     S
C1629  H1054   1.086   .     S
C1629  C1734   1.432   .     S
C1630  H1066   1.078   .     S
C1630  C1745   1.417   .     S
C1630  C1631   1.428   .     S
C1631  H1078   1.081   .     S
C1631  C1632   1.438   .     S
C1632  H1087   1.098   .     S
C1632  C1633   1.416   .     S
C1633  H1095   1.145   .     S
C1633  C1634   1.442   .     S
C1634  H1103   1.059   .     S
C1634  C1745   1.452   .     S
C1639  H1064   1.083   .     S
C1639  C1739   1.442   .     S
C1639  C1640   1.435   .     S
C1640  C1714   1.409   .     S
C1640  H1070   1.118   .     S
C1641  H1076   1.085   .     S
C1641  C1642   1.414   .     S
C1641  C1714   1.472   .     S
C1642  H1080   1.092   .     S
C1642  C1739   1.439   .     S
C1643  C1736   1.434   .     S
C1643  H1085   1.086   .     S
C1643  C1644   1.435   .     S
C1644  C1715   1.430   .     S
C1644  H1089   1.112   .     S
C1645  H1093   1.106   .     S
C1645  C1715   1.456   .     S
C1645  C1646   1.410   .     S
C1646  H1097   1.056   .     S
C1646  C1736   1.407   .     S
C1647  C1648   1.365   .     S
C1647  H1101   1.139   .     S
C1647  C1737   1.431   .     S
C1648  H1105   1.135   .     S
C1648  C1728   1.435   .     S
C1649  C1650   1.434   .     S
C1649  C1728   1.406   .     S
C1649  H1109   1.114   .     S
C1650  C1737   1.417   .     S
C1650  H1113   1.067   .     S
C1655  C1729   1.426   .     S
C1655  C1668   1.420   .     S
C1655  H1068   1.131   .     S
C1668  H1072   1.111   .     S
C1668  C1717   1.439   .     S
C1669  C1671   1.429   .     S
C1669  H1074   1.121   .     S
C1669  C1733   1.462   .     S
C1670  C1699   1.421   .     S
C1670  C1717   1.400   .     S
C1670  H1077   1.115   .     S
C1671  C1721   1.415   .     S
C1671  H1127   1.145   .     S
C1699  C1729   1.408   .     S
C1700  C1701   1.459   .     S
C1700  H1129   1.098   .     S
C1700  C1735   1.441   .     S
C1701  H1130   1.075   .     S
C1701  C1723   1.445   .     S
C1702  H1131   1.103   .     S
C1702  C1703   1.456   .     S
C1702  C1723   1.397   .     S
C1703  H1132   1.090   .     S
C1703  C1735   1.432   .     S
C1704  H1133   1.078   .     S
C1704  C1743   1.458   .     S
C1704  C1705   1.420   .     S
C1705  C1706   1.441   .     S
C1705  H1135   1.094   .     S
C1706  C1707   1.461   .     S
C1706  H1137   1.099   .     S
C1707  C1708   1.395   .     S
C1707  H1139   1.088   .     S
C1708  C1743   1.427   .     S
C1708  H1141   1.054   .     S
C1709  H1142   1.098   .     S
C1709  C1710   1.444   .     S
C1709  C1749   1.430   .     S
C1710  C1711   1.429   .     S
C1710  H1144   1.106   .     S
C1711  C1712   1.476   .     S
C1711  H1146   1.035   1_655 S
C1712  C1713   1.440   .     S
C1712  H1147   1.099   .     S
C1713  C1749   1.400   .     S
C1713  H1149   1.097   .     S
H1134  C1754   1.130   .     S
H1143  C1756   1.181   .     S
N464   C1735   1.423   .     S
N464   C1749   1.413   .     S
N464   C1743   1.532   .     S
N465   C1736   1.448   .     S
N465   C1739   1.483   .     S
N465   C1737   1.449   .     S
N467   C1745   1.418   .     S
N467   C1733   1.450   .     S
N467   C1734   1.461   .     S
C1753  N447    1.328   .     S
C1753  H1116   1.088   .     S
C1761  N447    1.321   .     S
C1761  H1128   1.081   .     S
H92    C173    1.108   .     S
H301   C429    1.100   .     S
H302   C430    1.060   .     S
H303   C432    1.065   .     S
H304   C434    1.144   .     S
C427   C472    1.426   .     S
C427   C429    1.384   .     S
C427   H300    1.092   1_565 S
C429   C430    1.457   .     S
C430   C432    1.422   .     S
C432   C434    1.386   .     S
C434   C472    1.452   .     S
C472   N129    1.435   1_565 S
N208   C724    1.349   .     S
N208   C712    1.359   .     S
N209   C713    1.338   .     S
N209   C712    1.330   .     S
N210   C713    1.357   .     S
N210   C724    1.330   .     S
N217   C729    1.354   .     S
C712   C799    1.434   .     S
C713   C798    1.453   .     S
C724   H475    1.145   .     S
C729   H525    1.100   .     S
H466   C750    1.141   .     S
H467   C758    1.143   .     S
H468   C770    1.075   .     S
H469   C779    1.115   .     S
H499   C744    1.087   .     S
H500   C746    1.048   .     S
H501   C748    1.114   .     S
H502   C749    1.076   .     S
H503   C751    1.104   .     S
H504   C752    1.133   .     S
C744   C746    1.445   .     S
C744   C814    1.408   .     S
C746   C798    1.392   .     S
C748   C798    1.397   .     S
C748   C749    1.438   .     S
C749   C814    1.385   .     S
C750   C758    1.446   .     S
C750   C822    1.456   .     S
C758   C799    1.395   .     S
C770   C799    1.435   .     S
C770   C779    1.406   .     S
C779   C822    1.491   .     S
N227   C818    1.425   .     S
N227   C817    1.473   .     S
N227   C822    1.434   .     S
C814   N224    1.443   .     S
C817   C755    1.438   1_556 S
C818   C740    1.423   1_556 S
N252   C836    1.367   .     S
N252   C835    1.346   1_565 S
C836   H606    1.136   .     S
C836   N254    1.315   1_565 S
N275   C951    1.344   .     S
N275   C1098   1.366   .     S
N276   C1098   1.320   .     S
N276   C950    1.346   .     S
N277   C950    1.398   .     S
N277   C951    1.314   .     S
C950   C1055   1.428   .     S
C951   C1048   1.434   .     S
C1010  C1055   1.412   .     S
C1010  H645    1.109   .     S
C1026  C1027   1.441   .     S
C1026  H677    1.093   .     S
C1026  C1078   1.409   .     S
C1027  H679    1.075   .     S
C1027  C1048   1.474   .     S
C1028  C1029   1.428   .     S
C1028  C1048   1.431   .     S
C1029  C1078   1.424   .     S
C1030  C1068   1.445   .     S
C1030  H683    1.079   .     S
C1030  C1031   1.388   .     S
C1031  C1032   1.403   .     S
C1031  H685    1.061   .     S
C1032  C1033   1.427   .     S
C1032  H686    1.087   .     S
C1033  C1034   1.457   .     S
C1033  H688    1.076   .     S
C1034  H690    1.097   .     S
C1034  C1068   1.392   .     S
C1039  H700    1.043   .     S
H662   C1098   1.083   .     S
N296   C1078   1.450   .     S
N296   C1068   1.460   .     S
H758   C1107   1.124   .     S
H774   C1161   1.101   .     S
H775   C1162   1.102   .     S
H776   C1164   1.152   .     S
H777   C1165   1.094   .     S
H778   C1167   1.071   .     S
H781   C1172   1.139   .     S
H782   C1173   1.104   .     S
H783   C1175   1.091   .     S
H784   C1176   1.123   .     S
H785   C1177   1.116   .     S
H786   C1179   1.100   .     S
N316   C1118   1.373   .     S
N316   C1107   1.350   .     S
N323   C1110   1.359   .     S
N323   C1122   1.346   .     S
C1107  N318    1.362   .     S
C1110  N322    1.385   1_556 S
C1110  H788    1.123   1_556 S
C1118  N317    1.390   .     S
C1122  C1187   1.425   .     S
N326   C1209   1.431   .     S
N326   C1203   1.475   .     S
N326   C1205   1.425   .     S
C1161  C1209   1.414   .     S
C1161  C1162   1.461   .     S
C1162  C1164   1.461   .     S
C1164  C1165   1.425   .     S
C1165  C1167   1.425   .     S
C1167  C1209   1.460   .     S
C1172  C1187   1.439   .     S
C1172  C1173   1.460   .     S
C1173  C1205   1.426   .     S
C1175  C1203   1.414   .     S
C1175  C1176   1.432   .     S
C1176  C1193   1.424   .     S
C1177  C1193   1.474   .     S
C1177  C1179   1.475   .     S
C1179  C1203   1.419   .     S
N367   C1408   1.286   .     S
N367   C1409   1.317   .     S
N368   C1333   1.348   .     S
N368   C1408   1.348   .     S
N369   C1333   1.302   .     S
N369   C1409   1.396   .     S
C1333  C1390   1.432   .     S
C1344  C1404   1.411   .     S
C1344  H874    1.092   .     S
C1344  C1345   1.437   .     S
C1345  C1390   1.463   .     S
C1345  H878    1.123   .     S
C1346  H885    1.112   .     S
C1346  C1390   1.417   .     S
C1346  C1347   1.432   .     S
C1347  C1404   1.415   .     S
C1347  H888    1.106   .     S
H914   C1409   1.113   .     S
H916   C1408   1.065   .     S
N375   C1404   1.439   .     S
N375   C1398   1.488   .     S
N442   C1755   1.352   .     S
N442   C1615   1.332   .     S
N443   C1614   1.426   .     S
N443   C1755   1.353   .     S
N444   C1615   1.396   .     S
N444   C1614   1.337   .     S
N454   C1620   1.345   .     S
N454   C1752   1.340   .     S
N455   C1758   1.327   .     S
N455   C1752   1.341   .     S
N456   C1758   1.371   .     S
N456   C1620   1.374   .     S
N460   C1760   1.346   .     S
N460   C1751   1.383   .     S
N461   C1751   1.369   .     S
N461   C1623   1.372   .     S
N462   C1623   1.383   .     S
N462   C1760   1.342   .     S
C1614  C1720   1.412   .     S
C1615  C1722   1.455   .     S
C1623  C1726   1.463   .     S
C1651  C1722   1.420   .     S
C1653  C1654   1.442   .     S
C1653  C1722   1.446   .     S
C1653  H1136   1.087   .     S
C1654  H1145   1.076   .     S
C1661  H1056   1.118   .     S
C1666  H1065   1.038   .     S
C1672  H1079   1.139   .     S
C1672  C1746   1.423   .     S
C1672  C1673   1.435   .     S
C1673  H1081   1.100   .     S
C1673  C1726   1.403   .     S
C1674  C1726   1.473   .     S
C1674  H1082   1.066   .     S
C1674  C1675   1.391   .     S
C1675  H1084   1.098   .     S
C1675  C1746   1.472   .     S
C1681  H1094   1.129   .     S
C1681  C1682   1.412   .     S
C1681  C1747   1.434   .     S
C1682  C1720   1.392   .     S
C1682  H1096   1.143   .     S
C1683  C1720   1.485   .     S
C1683  C1684   1.411   .     S
C1683  H1098   1.099   .     S
C1684  H1099   1.111   .     S
C1684  C1747   1.409   .     S
H1052  C1755   1.088   .     S
H1069  C1752   1.078   .     S
H1071  C1758   1.096   .     S
H1124  C1760   1.136   .     S
H1125  C1751   1.113   .     S
N468   C1744   1.428   .     S
N468   C1746   1.468   .     S
N468   C1747   1.465   .     S
H220   C313    1.090   .     S
H221   C315    1.110   .     S
H222   C316    1.104   .     S
C312   C313    1.423   .     S
C313   C315    1.408   .     S
C315   C316    1.398   .     S
N187   C694    1.363   .     S
N189   C692    1.371   .     S
N189   C694    1.319   .     S
H448   C694    1.122   .     S
H451   C692    1.114   .     S
N214   C727    1.377   .     S
N214   C726    1.367   .     S
N215   C716    1.336   .     S
N215   C726    1.330   .     S
N216   C716    1.339   .     S
N216   C727    1.308   .     S
N220   C730    1.341   .     S
N220   C718    1.323   .     S
N221   C730    1.338   .     S
N222   C718    1.325   .     S
C716   C797    1.463   .     S
C718   C801    1.456   .     S
C726   H509    1.088   .     S
C727   H507    1.109   .     S
C730   H531    1.141   .     S
H495   C738    1.168   .     S
H496   C739    1.063   .     S
H497   C741    1.113   .     S
H498   C742    1.120   .     S
H505   C754    1.093   .     S
H506   C756    1.066   .     S
C738   C811    1.460   .     S
C738   C739    1.471   .     S
C739   C801    1.416   .     S
C741   C742    1.447   .     S
C741   C801    1.415   .     S
C742   C811    1.375   .     S
C751   C752    1.443   .     S
C751   C816    1.450   .     S
C752   C797    1.376   .     S
C754   C797    1.437   .     S
C754   C756    1.443   .     S
C756   C816    1.402   .     S
N224   C816    1.479   .     S
N224   C811    1.510   .     S
H759   C1106   1.142   .     S
N317   C1106   1.340   .     S
N318   C1106   1.326   .     S
N329   C1214   1.353   .     S
N332   C1217   1.348   .     S
N332   C1325   1.334   .     S
N333   C1215   1.325   .     S
N333   C1325   1.355   .     S
N334   C1217   1.345   .     S
N334   C1215   1.388   .     S
N349   C1315   1.325   .     S
C1214  C1293   1.435   .     S
C1215  C1294   1.414   .     S
C1217  C1296   1.443   .     S
C1241  H820    1.118   .     S
C1241  C1311   1.478   .     S
C1242  H828    1.095   .     S
C1242  C1309   1.427   .     S
C1242  C1243   1.383   .     S
C1243  H831    1.149   .     S
C1243  C1296   1.442   .     S
C1244  C1296   1.428   .     S
C1244  H836    1.108   .     S
C1244  C1245   1.367   .     S
C1245  C1309   1.449   .     S
C1245  H839    1.116   .     S
C1246  C1314   1.405   .     S
C1246  C1247   1.437   .     S
C1246  H843    1.138   .     S
C1247  H847    1.074   .     S
C1247  C1293   1.431   .     S
C1248  C1293   1.407   .     S
C1248  H855    1.073   .     S
C1248  C1249   1.433   .     S
C1249  H863    1.172   .     S
C1249  C1314   1.407   .     S
C1250  C1303   1.482   .     S
C1251  H796    1.087   .     S
C1251  C1267   1.394   .     S
C1253  H799    1.170   .     S
C1253  C1254   1.442   .     S
C1253  C1307   1.409   .     S
C1254  C1255   1.423   .     S
C1254  H801    1.123   .     S
C1255  H802    1.099   .     S
C1255  C1256   1.426   .     S
C1256  C1257   1.449   .     S
C1256  H803    1.105   .     S
C1257  C1307   1.409   .     S
C1257  H805    1.114   .     S
C1260  H810    1.131   .     S
C1260  C1299   1.411   .     S
C1260  C1261   1.419   .     S
C1261  H812    1.152   .     S
C1261  C1306   1.429   .     S
C1262  H814    1.119   .     S
C1262  C1263   1.402   .     S
C1262  C1312   1.433   .     S
C1263  C1294   1.432   .     S
C1263  H815    1.104   .     S
C1264  H817    1.114   .     S
C1264  C1294   1.401   .     S
C1264  C1265   1.420   .     S
C1265  C1312   1.385   .     S
C1265  H819    1.125   .     S
C1267  H825    1.131   .     S
C1283  C1284   1.390   .     S
C1283  H853    1.097   .     S
C1283  C1303   1.432   .     S
C1284  C1285   1.415   .     S
C1284  H857    1.092   .     S
C1285  H862    1.088   .     S
H790   C1325   1.100   .     S
H856   C1315   1.071   .     S
N355   C1306   1.530   .     S
N355   C1307   1.446   .     S
N355   C1312   1.458   .     S
N356   C1314   1.490   .     S
N356   C1311   1.434   .     S
N356   C1309   1.485   .     S
N359   C1329   1.309   .     S
N359   C1327   1.333   .     S
N360   C1327   1.389   .     S
N370   C1334   1.410   .     S
N370   C1407   1.374   .     S
N371   C1407   1.336   .     S
N371   C1410   1.328   .     S
N372   C1410   1.336   .     S
N372   C1334   1.325   .     S
C1327  C1391   1.403   .     S
C1329  C1389   1.404   .     S
C1334  C1392   1.423   .     S
N373   C1395   1.422   .     S
N373   C1397   1.380   .     S
N373   C1396   1.465   .     S
C1335  H909    1.130   .     S
C1335  C1395   1.447   .     S
C1335  C1381   1.378   .     S
C1336  H898    1.156   .     S
C1336  C1337   1.434   .     S
C1336  C1396   1.415   .     S
C1337  C1391   1.455   .     S
C1337  H865    1.108   .     S
C1338  H876    1.054   .     S
C1338  C1391   1.437   .     S
C1338  C1339   1.425   .     S
C1339  C1396   1.423   .     S
C1339  H886    1.104   .     S
C1350  C1389   1.419   .     S
C1350  C1351   1.408   .     S
C1350  H900    1.091   .     S
C1351  C1398   1.453   .     S
C1351  H904    1.107   .     S
C1365  C1395   1.474   .     S
C1365  H884    1.156   .     S
C1365  C1366   1.432   .     S
C1366  H912    1.129   .     S
C1366  C1384   1.412   .     S
C1381  H883    1.084   .     S
C1381  C1384   1.435   .     S
C1382  C1383   1.434   .     S
C1382  C1397   1.469   .     S
C1382  H913    1.154   .     S
C1383  C1392   1.438   .     S
C1383  H917    1.105   .     S
C1384  H922    1.108   .     S
C1385  H920    1.138   .     S
C1385  C1386   1.412   .     S
C1385  C1392   1.444   .     S
C1386  H882    1.136   .     S
C1386  C1397   1.435   .     S
H919   C1407   1.134   .     S
H921   C1410   1.118   .     S
N390   C1419   1.377   1_556 S
N390   C1436   1.359   1_556 S
H931   C1477   1.120   .     S
C1477  C1492   1.424   .     S
C1492  C1466   1.402   1_556 S
C1492  C1436   1.406   1_556 S
