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

data_3D\Atomistic\(2)
_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
N68    N     0.02110   0.09490   0.14043   0.00000  Uiso   1.00
N69    N     0.02473   0.04753   0.13401   0.00000  Uiso   1.00
N82    N     0.30954   0.02425   0.08410   0.00000  Uiso   1.00
N91    N     0.44245   0.05075   0.05241   0.00000  Uiso   1.00
N93    N     0.44602   0.01370   0.02529   0.00000  Uiso   1.00
C254   C     0.28359   0.01864   0.09073   0.00000  Uiso   1.00
C260   C     0.46886   0.05651   0.04772   0.00000  Uiso   1.00
C261   C     0.47230   0.01801   0.02188   0.00000  Uiso   1.00
H166   H     0.02485   0.00401   0.12646   0.00000  Uiso   1.00
H172   H     0.27061   0.03328   0.09999   0.00000  Uiso   1.00
H181   H     0.40038   0.06065   0.07179   0.00000  Uiso   1.00
H182   H     0.35304   0.05160   0.08493   0.00000  Uiso   1.00
H194   H     0.47896   0.07435   0.05677   0.00000  Uiso   1.00
H197   H     0.14388   0.07927   0.14083   0.00000  Uiso   1.00
H198   H     0.11767   0.03604   0.12650   0.00000  Uiso   1.00
H199   H     0.07265   0.02995   0.13420   0.00000  Uiso   1.00
H200   H     0.06533   0.11547   0.15752   0.00000  Uiso   1.00
H201   H     0.11597   0.11779   0.16192   0.00000  Uiso   1.00
C265   C     0.32427   0.00608   0.07105   0.00000  Uiso   1.00
C267   C     0.03680   0.07221   0.13937   0.00000  Uiso   1.00
C278   C     0.43130   0.02964   0.04064   0.00000  Uiso   1.00
C289   C     0.38944   0.04429   0.06324   0.00000  Uiso   1.00
C291   C     0.36284   0.03778   0.07084   0.00000  Uiso   1.00
C294   C     0.38820   0.00601   0.03229   0.00000  Uiso   1.00
C306   C     0.00269   0.00052   0.12313   0.00000  Uiso   1.00
C315   C     0.10892   0.05396   0.13541   0.00000  Uiso   1.00
C317   C     0.08147   0.04947   0.13993   0.00000  Uiso   1.00
C319   C     0.07751   0.09699   0.15316   0.00000  Uiso   1.00
C320   C     0.10589   0.10009   0.15265   0.00000  Uiso   1.00
C321   C     0.12231   0.07817   0.14354   0.00000  Uiso   1.00
C324   C     0.40275   0.02667   0.04443   0.00000  Uiso   1.00
C330   C     0.35099   0.01355   0.06358   0.00000  Uiso   1.00
C334   C     0.06495   0.07249   0.14615   0.00000  Uiso   1.00
N131   N     0.27340   0.10232   0.00199   0.00000  Uiso   1.00
N137   N     0.41246   0.09840   0.00440   0.00000  Uiso   1.00
N145   N     0.52989   0.17913   0.03203   0.00000  Uiso   1.00
N146   N     0.49366   0.20255   0.04970   0.00000  Uiso   1.00
N147   N     0.53700   0.22139   0.05462   0.00000  Uiso   1.00
N157   N     0.15620   0.17810   0.05367   0.00000  Uiso   1.00
N158   N     0.15180   0.22021   0.07675   0.00000  Uiso   1.00
N159   N     0.19448   0.20287   0.06569   0.00000  Uiso   1.00
C467   C     0.43870   0.09521   0.00290   0.00000  Uiso   1.00
C471   C     0.50403   0.18089   0.03811   0.00000  Uiso   1.00
C472   C     0.50925   0.22302   0.05723   0.00000  Uiso   1.00
C477   C     0.24672   0.10034   0.00438   0.00000  Uiso   1.00
C483   C     0.18358   0.18048   0.05366   0.00000  Uiso   1.00
C484   C     0.35665   0.10156   0.00470   0.00000  Uiso   1.00
C495   C     0.45926   0.16044   0.03315   0.00000  Uiso   1.00
C496   C     0.44284   0.13826   0.02750   0.00000  Uiso   1.00
C497   C     0.48287   0.11286   0.01374   0.00000  Uiso   1.00
C498   C     0.49876   0.13559   0.01767   0.00000  Uiso   1.00
C518   C     0.20222   0.12094   0.01351   0.00000  Uiso   1.00
C519   C     0.18657   0.14010   0.02678   0.00000  Uiso   1.00
C520   C     0.22713   0.16589   0.03672   0.00000  Uiso   1.00
C521   C     0.24349   0.14428   0.02800   0.00000  Uiso   1.00
C523   C     0.32897   0.10219   0.00613   0.00000  Uiso   1.00
C524   C     0.50544   0.28029   0.10468   0.00000  Uiso   1.00
C525   C     0.51600   0.26317   0.08442   0.00000  Uiso   1.00
C526   C     0.47075   0.24543   0.07831   0.00000  Uiso   1.00
C527   C     0.46070   0.26467   0.09666   0.00000  Uiso   1.00
C528   C     0.47842   0.27993   0.11338   0.00000  Uiso   1.00
H275   H     0.56580   0.19765   0.03764   0.00000  Uiso   1.00
H302   H     0.37041   0.11652   0.01339   0.00000  Uiso   1.00
H311   H     0.19307   0.10489   0.00273   0.00000  Uiso   1.00
H313   H     0.16457   0.13871   0.02688   0.00000  Uiso   1.00
H315   H     0.23821   0.18007   0.04760   0.00000  Uiso   1.00
H316   H     0.44991   0.17850   0.03985   0.00000  Uiso   1.00
H317   H     0.26530   0.14626   0.02862   0.00000  Uiso   1.00
H318   H     0.12026   0.19810   0.05978   0.00000  Uiso   1.00
H320   H     0.18855   0.23984   0.08571   0.00000  Uiso   1.00
H321   H     0.42061   0.14030   0.02779   0.00000  Uiso   1.00
H322   H     0.32228   0.12144   0.01508   0.00000  Uiso   1.00
H323   H     0.47045   0.29287   0.13081   0.00000  Uiso   1.00
H324   H     0.51812   0.29468   0.11544   0.00000  Uiso   1.00
H326   H     0.53611   0.26401   0.08088   0.00000  Uiso   1.00
H327   H     0.49204   0.09388   0.00621   0.00000  Uiso   1.00
H328   H     0.45986   0.22965   0.06726   0.00000  Uiso   1.00
H330   H     0.43859   0.26458   0.09982   0.00000  Uiso   1.00
H331   H     0.52071   0.13246   0.01429   0.00000  Uiso   1.00
C531   C     0.48725   0.15956   0.02830   0.00000  Uiso   1.00
C533   C     0.19916   0.16154   0.04018   0.00000  Uiso   1.00
C537   C     0.23028   0.12194   0.01534   0.00000  Uiso   1.00
C543   C     0.45518   0.11420   0.01561   0.00000  Uiso   1.00
C545   C     0.49809   0.24429   0.07145   0.00000  Uiso   1.00
C553   C     0.54532   0.20010   0.03988   0.00000  Uiso   1.00
C555   C     0.14164   0.19818   0.06432   0.00000  Uiso   1.00
C558   C     0.17993   0.22179   0.07565   0.00000  Uiso   1.00
N205   N     0.24540   0.04687   0.04753   0.00000  Uiso   1.00
N206   N     0.20177   0.02986   0.04195   0.00000  Uiso   1.00
N207   N     0.20769   0.06995   0.06344   0.00000  Uiso   1.00
N214   N     0.32376   0.20685   0.07715   0.00000  Uiso   1.00
N215   N     0.32312   0.15958   0.07240   0.00000  Uiso   1.00
N216   N     0.28767   0.18168   0.09448   0.00000  Uiso   1.00
N217   N     0.02543   0.07069   0.06983   0.00000  Uiso   1.00
N218   N     0.06293   0.04571   0.05504   0.00000  Uiso   1.00
N219   N     0.06813   0.08724   0.07416   0.00000  Uiso   1.00
C691   C     0.22875   0.02736   0.03892   0.00000  Uiso   1.00
C692   C     0.19208   0.05154   0.05487   0.00000  Uiso   1.00
C693   C     0.23419   0.06765   0.06009   0.00000  Uiso   1.00
C700   C     0.29844   0.15912   0.08417   0.00000  Uiso   1.00
C703   C     0.07889   0.06554   0.06228   0.00000  Uiso   1.00
C709   C     0.29499   0.11002   0.07542   0.00000  Uiso   1.00
C710   C     0.27919   0.08764   0.06787   0.00000  Uiso   1.00
C711   C     0.23919   0.11105   0.08671   0.00000  Uiso   1.00
C712   C     0.25634   0.13336   0.09198   0.00000  Uiso   1.00
C726   C     0.11740   0.03841   0.04942   0.00000  Uiso   1.00
C727   C     0.14483   0.03484   0.04801   0.00000  Uiso   1.00
C728   C     0.15308   0.07843   0.06943   0.00000  Uiso   1.00
C729   C     0.12452   0.08089   0.07221   0.00000  Uiso   1.00
H406   H     0.21787   0.11242   0.09054   0.00000  Uiso   1.00
H409   H     0.24653   0.15191   0.09786   0.00000  Uiso   1.00
H415   H     0.31578   0.10937   0.06739   0.00000  Uiso   1.00
H418   H     0.10342   0.02517   0.04001   0.00000  Uiso   1.00
H419   H     0.15135   0.01625   0.03880   0.00000  Uiso   1.00
H421   H     0.16716   0.09550   0.07551   0.00000  Uiso   1.00
H423   H     0.11469   0.10011   0.07941   0.00000  Uiso   1.00
H426   H     0.28900   0.07332   0.05278   0.00000  Uiso   1.00
H427   H     0.27818   0.01588   0.02085   0.00000  Uiso   1.00
H429   H     0.29092   0.22391   0.09626   0.00000  Uiso   1.00
H431   H     0.35199   0.18403   0.05605   0.00000  Uiso   1.00
H439   H     0.03515   0.11071   0.08330   0.00000  Uiso   1.00
H440   H     0.02126   0.03287   0.05419   0.00000  Uiso   1.00
C747   C     0.25049   0.08859   0.07206   0.00000  Uiso   1.00
C748   C     0.16409   0.05416   0.05932   0.00000  Uiso   1.00
C749   C     0.28368   0.13403   0.08506   0.00000  Uiso   1.00
C752   C     0.23840   0.00376   0.02394   0.00000  Uiso   1.00
C757   C     0.10699   0.06075   0.06131   0.00000  Uiso   1.00
C762   C     0.03613   0.04810   0.05958   0.00000  Uiso   1.00
C764   C     0.30007   0.20553   0.09079   0.00000  Uiso   1.00
C765   C     0.04221   0.09045   0.07659   0.00000  Uiso   1.00
C767   C     0.33392   0.18333   0.06765   0.00000  Uiso   1.00
N395   N     0.03216   0.48537   0.04191   0.00000  Uiso   1.00
H745   H     0.03035   0.52708   0.03513   0.00000  Uiso   1.00
H746   H     0.02517   0.44275   0.04740   0.00000  Uiso   1.00
C1326  C     0.01619   0.46334   0.04391   0.00000  Uiso   1.00
C1328  C     0.01829   0.50889   0.03847   0.00000  Uiso   1.00
N67    N     0.98137   0.06709   0.13518   0.00000  Uiso   1.00
N92    N     0.48412   0.03901   0.03322   0.00000  Uiso   1.00
C255   C     0.99317   0.09124   0.13936   0.00000  Uiso   1.00
H156   H     0.94401   0.03153   0.12649   0.00000  Uiso   1.00
H186   H     0.97947   0.10802   0.14237   0.00000  Uiso   1.00
H195   H     0.48454   0.00344   0.00896   0.00000  Uiso   1.00
C273   C     0.99752   0.04657   0.13001   0.00000  Uiso   1.00
C301   C     0.95720   0.01471   0.12252   0.00000  Uiso   1.00
C336   C     0.98479   0.02167   0.12427   0.00000  Uiso   1.00
N100   N     0.47999   0.10818   0.09935   0.00000  Uiso   1.00
N101   N     0.49443   0.06468   0.10511   0.00000  Uiso   1.00
N102   N     0.44769   0.07331   0.10542   0.00000  Uiso   1.00
N110   N     0.70995   0.01636   0.00703   0.00000  Uiso   1.00
N111   N     0.75714   0.01635   0.00420   0.00000  Uiso   1.00
N112   N     0.61158   0.14719   0.05669   0.00000  Uiso   1.00
N113   N     0.65705   0.13661   0.04905   0.00000  Uiso   1.00
N114   N     0.62745   0.10460   0.06524   0.00000  Uiso   1.00
C341   C     0.49979   0.09056   0.10067   0.00000  Uiso   1.00
C342   C     0.46926   0.05718   0.10693   0.00000  Uiso   1.00
C343   C     0.45420   0.09944   0.10202   0.00000  Uiso   1.00
C350   C     0.70961   0.04228   0.00027   0.00000  Uiso   1.00
C351   C     0.73391   0.00346   0.00832   0.00000  Uiso   1.00
C354   C     0.65230   0.11168   0.05862   0.00000  Uiso   1.00
C356   C     0.60731   0.12172   0.06368   0.00000  Uiso   1.00
C366   C     0.63656   0.15412   0.04887   0.00000  Uiso   1.00
H203   H     0.50416   0.01864   0.10251   0.00000  Uiso   1.00
H208   H     0.37893   0.17476   0.10317   0.00000  Uiso   1.00
H209   H     0.42895   0.18798   0.09738   0.00000  Uiso   1.00
H210   H     0.46272   0.15366   0.09802   0.00000  Uiso   1.00
H211   H     0.39943   0.09089   0.10624   0.00000  Uiso   1.00
H212   H     0.36677   0.12535   0.10610   0.00000  Uiso   1.00
H213   H     0.59253   0.07494   0.08503   0.00000  Uiso   1.00
H214   H     0.54679   0.06045   0.09883   0.00000  Uiso   1.00
H215   H     0.51485   0.13900   0.08237   0.00000  Uiso   1.00
H216   H     0.55804   0.14998   0.06013   0.00000  Uiso   1.00
H218   H     0.42125   0.03776   0.11885   0.00000  Uiso   1.00
H220   H     0.80764   0.02332   0.00128   0.00000  Uiso   1.00
H224   H     0.63842   0.17124   0.03558   0.00000  Uiso   1.00
H238   H     0.73282   0.04530   0.07802   0.00000  Uiso   1.00
H239   H     0.68422   0.03109   0.08825   0.00000  Uiso   1.00
H240   H     0.64809   0.05877   0.07674   0.00000  Uiso   1.00
H241   H     0.70462   0.12125   0.04597   0.00000  Uiso   1.00
H242   H     0.74372   0.09387   0.06067   0.00000  Uiso   1.00
H249   H     0.65905   0.02094   0.00888   0.00000  Uiso   1.00
H271   H     0.09201   0.13033   0.00476   0.00000  Uiso   1.00
C374   C     0.53076   0.12437   0.08120   0.00000  Uiso   1.00
C378   C     0.55587   0.13028   0.06894   0.00000  Uiso   1.00
C381   C     0.48460   0.01135   0.10685   0.00000  Uiso   1.00
C382   C     0.68999   0.04980   0.07798   0.00000  Uiso   1.00
C383   C     0.43655   0.02091   0.11707   0.00000  Uiso   1.00
C384   C     0.66819   0.06722   0.07299   0.00000  Uiso   1.00
C385   C     0.70071   0.10178   0.05552   0.00000  Uiso   1.00
C386   C     0.42203   0.16735   0.09841   0.00000  Uiso   1.00
C387   C     0.72241   0.08447   0.06354   0.00000  Uiso   1.00
C389   C     0.71639   0.05846   0.07151   0.00000  Uiso   1.00
C392   C     0.44112   0.14612   0.09942   0.00000  Uiso   1.00
C397   C     0.65977   0.04063   0.00017   0.00000  Uiso   1.00
C403   C     0.40582   0.11198   0.09990   0.00000  Uiso   1.00
C410   C     0.38757   0.13244   0.10268   0.00000  Uiso   1.00
C412   C     0.39436   0.15957   0.10139   0.00000  Uiso   1.00
C416   C     0.57496   0.08814   0.08245   0.00000  Uiso   1.00
C428   C     0.54880   0.08088   0.09111   0.00000  Uiso   1.00
C440   C     0.43320   0.11911   0.09862   0.00000  Uiso   1.00
C441   C     0.46335   0.02968   0.11118   0.00000  Uiso   1.00
C451   C     0.57990   0.11414   0.07095   0.00000  Uiso   1.00
C460   C     0.67320   0.09303   0.06218   0.00000  Uiso   1.00
C461   C     0.52589   0.09880   0.09196   0.00000  Uiso   1.00
N151   N     0.91085   0.10976   0.10304   0.00000  Uiso   1.00
N152   N     0.93981   0.14757   0.10786   0.00000  Uiso   1.00
N153   N     0.95391   0.10959   0.08393   0.00000  Uiso   1.00
C476   C     0.92992   0.09811   0.08863   0.00000  Uiso   1.00
C508   C     0.90499   0.05587   0.08032   0.00000  Uiso   1.00
C509   C     0.90182   0.03190   0.06620   0.00000  Uiso   1.00
C510   C     0.94919   0.03295   0.05392   0.00000  Uiso   1.00
C511   C     0.95222   0.05891   0.06457   0.00000  Uiso   1.00
H290   H     0.88904   0.06469   0.09195   0.00000  Uiso   1.00
H291   H     0.88443   0.01765   0.06774   0.00000  Uiso   1.00
H293   H     0.96496   0.02216   0.04423   0.00000  Uiso   1.00
H295   H     0.97167   0.07035   0.06148   0.00000  Uiso   1.00
H297   H     0.89854   0.14447   0.12196   0.00000  Uiso   1.00
H298   H     0.97765   0.14266   0.09063   0.00000  Uiso   1.00
C530   C     0.92941   0.07188   0.07791   0.00000  Uiso   1.00
C544   C     0.92467   0.01926   0.05461   0.00000  Uiso   1.00
C552   C     0.95872   0.13419   0.09420   0.00000  Uiso   1.00
C557   C     0.91588   0.13394   0.11224   0.00000  Uiso   1.00
N268   N     0.45866   0.39534   0.08029   0.00000  Uiso   1.00
N269   N     0.48540   0.35871   0.06991   0.00000  Uiso   1.00
N270   N     0.50277   0.40346   0.06722   0.00000  Uiso   1.00
N271   N     0.61830   0.30994   0.04923   0.00000  Uiso   1.00
N272   N     0.66500   0.31852   0.04713   0.00000  Uiso   1.00
N273   N     0.63223   0.35437   0.04244   0.00000  Uiso   1.00
N274   N     0.47159   0.58205   0.08582   0.00000  Uiso   1.00
N275   N     0.44969   0.53928   0.09437   0.00000  Uiso   1.00
N276   N     0.49365   0.54152   0.07639   0.00000  Uiso   1.00
N277   N     0.67966   0.15185   0.11087   0.00000  Uiso   1.00
N278   N     0.64749   0.18498   0.10361   0.00000  Uiso   1.00
N279   N     0.69165   0.19196   0.09078   0.00000  Uiso   1.00
N280   N     0.55485   0.09109   0.16209   0.00000  Uiso   1.00
N281   N     0.59050   0.06035   0.15942   0.00000  Uiso   1.00
N282   N     0.54716   0.04484   0.17230   0.00000  Uiso   1.00
N283   N     0.82347   0.14208   0.07542   0.00000  Uiso   1.00
N284   N     0.81046   0.09992   0.09322   0.00000  Uiso   1.00
N285   N     0.85220   0.10465   0.07204   0.00000  Uiso   1.00
N286   N     0.37338   0.09378   0.16362   0.00000  Uiso   1.00
N287   N     0.41793   0.11108   0.16923   0.00000  Uiso   1.00
N288   N     0.40975   0.06577   0.17369   0.00000  Uiso   1.00
N289   N     0.32057   0.27865   0.07896   0.00000  Uiso   1.00
N290   N     0.36745   0.28152   0.07505   0.00000  Uiso   1.00
N291   N     0.34357   0.31924   0.08701   0.00000  Uiso   1.00
N292   N     0.63008   0.88366   0.19796   0.00000  Uiso   1.00
N296   N     0.95540   0.17162   0.01403   0.00000  Uiso   1.00
N297   N     0.94095   0.21455   0.02790   0.00000  Uiso   1.00
N298   N     0.48472   0.77652   0.24261   0.00000  Uiso   1.00
N299   N     0.49761   0.81827   0.22743   0.00000  Uiso   1.00
N300   N     0.52968   0.78847   0.24199   0.00000  Uiso   1.00
N301   N     0.80863   0.86017   0.17366   0.00000  Uiso   1.00
N302   N     0.76446   0.84817   0.18288   0.00000  Uiso   1.00
N303   N     0.77472   0.89195   0.17011   0.00000  Uiso   1.00
N304   N     0.62425   0.64350   0.00116   0.00000  Uiso   1.00
N305   N     0.58874   0.64427   0.03071   0.00000  Uiso   1.00
N306   N     0.60255   0.60282   0.01480   0.00000  Uiso   1.00
N311   N     0.01480   0.34363   0.02248   0.00000  Uiso   1.00
N312   N     0.00726   0.38754   0.03951   0.00000  Uiso   1.00
C910   C     0.65406   0.16124   0.11281   0.00000  Uiso   1.00
C911   C     0.66557   0.19895   0.09128   0.00000  Uiso   1.00
C912   C     0.69878   0.16741   0.10107   0.00000  Uiso   1.00
C913   C     0.58051   0.08558   0.15608   0.00000  Uiso   1.00
C914   C     0.57369   0.03963   0.16753   0.00000  Uiso   1.00
C915   C     0.53802   0.07029   0.16921   0.00000  Uiso   1.00
C916   C     0.80564   0.12600   0.08681   0.00000  Uiso   1.00
C917   C     0.50591   0.37606   0.06459   0.00000  Uiso   1.00
C918   C     0.64398   0.30253   0.04956   0.00000  Uiso   1.00
C919   C     0.84724   0.13102   0.06951   0.00000  Uiso   1.00
C920   C     0.46212   0.36937   0.07732   0.00000  Uiso   1.00
C921   C     0.42614   0.08592   0.17424   0.00000  Uiso   1.00
C922   C     0.38344   0.06934   0.16872   0.00000  Uiso   1.00
C923   C     0.47870   0.41151   0.07472   0.00000  Uiso   1.00
C924   C     0.61303   0.33578   0.04594   0.00000  Uiso   1.00
C925   C     0.36735   0.30777   0.08043   0.00000  Uiso   1.00
C926   C     0.60369   0.88915   0.19805   0.00000  Uiso   1.00
C929   C     0.93652   0.18751   0.02506   0.00000  Uiso   1.00
C931   C     0.52376   0.81272   0.23033   0.00000  Uiso   1.00
C932   C     0.50988   0.77177   0.24825   0.00000  Uiso   1.00
C933   C     0.79014   0.84167   0.18062   0.00000  Uiso   1.00
C934   C     0.75698   0.87282   0.17745   0.00000  Uiso   1.00
C935   C     0.47183   0.52694   0.08357   0.00000  Uiso   1.00
C936   C     0.58517   0.61797   0.02900   0.00000  Uiso   1.00
C937   C     0.49357   0.56812   0.07782   0.00000  Uiso   1.00
C940   C     0.75803   0.12252   0.10464   0.00000  Uiso   1.00
C941   C     0.73247   0.13272   0.11169   0.00000  Uiso   1.00
C944   C     0.61212   0.00698   0.16811   0.00000  Uiso   1.00
C946   C     0.67479   0.26428   0.05513   0.00000  Uiso   1.00
C947   C     0.53793   0.33707   0.05689   0.00000  Uiso   1.00
C948   C     0.86816   0.17357   0.05575   0.00000  Uiso   1.00
C949   C     0.88971   0.18895   0.04445   0.00000  Uiso   1.00
C950   C     0.91063   0.14607   0.03246   0.00000  Uiso   1.00
C951   C     0.89070   0.13145   0.04778   0.00000  Uiso   1.00
C952   C     0.49203   0.05003   0.17708   0.00000  Uiso   1.00
C953   C     0.46406   0.05478   0.17871   0.00000  Uiso   1.00
C954   C     0.47038   0.10346   0.17169   0.00000  Uiso   1.00
C955   C     0.49875   0.10033   0.17050   0.00000  Uiso   1.00
C956   C     0.68184   0.23989   0.06888   0.00000  Uiso   1.00
C957   C     0.59047   0.13409   0.14502   0.00000  Uiso   1.00
C958   C     0.41390   0.36465   0.08809   0.00000  Uiso   1.00
C959   C     0.39207   0.34810   0.09059   0.00000  Uiso   1.00
C960   C     0.41665   0.30973   0.07388   0.00000  Uiso   1.00
C961   C     0.43987   0.32565   0.07439   0.00000  Uiso   1.00
C962   C     0.60848   0.15181   0.13086   0.00000  Uiso   1.00
C963   C     0.44742   0.48052   0.08544   0.00000  Uiso   1.00
C964   C     0.64367   0.11719   0.13128   0.00000  Uiso   1.00
C965   C     0.45012   0.45188   0.08230   0.00000  Uiso   1.00
C966   C     0.62545   0.09937   0.14284   0.00000  Uiso   1.00
C967   C     0.49827   0.45688   0.07063   0.00000  Uiso   1.00
C968   C     0.59248   0.84514   0.21763   0.00000  Uiso   1.00
C969   C     0.57260   0.82699   0.22659   0.00000  Uiso   1.00
C970   C     0.53686   0.85672   0.21184   0.00000  Uiso   1.00
C971   C     0.55643   0.87625   0.20428   0.00000  Uiso   1.00
C972   C     0.49629   0.48636   0.07148   0.00000  Uiso   1.00
C975   C     0.71069   0.86318   0.19182   0.00000  Uiso   1.00
C976   C     0.68361   0.87161   0.19928   0.00000  Uiso   1.00
C978   C     0.00036   0.29092   0.01429   0.00000  Uiso   1.00
C979   C     0.95802   0.29958   0.03666   0.00000  Uiso   1.00
C980   C     0.95236   0.27119   0.03426   0.00000  Uiso   1.00
C981   C     0.57985   0.37271   0.04314   0.00000  Uiso   1.00
C982   C     0.56369   0.32712   0.05030   0.00000  Uiso   1.00
C983   C     0.53622   0.56528   0.05355   0.00000  Uiso   1.00
C984   C     0.55873   0.57733   0.04095   0.00000  Uiso   1.00
C985   C     0.54447   0.61934   0.05739   0.00000  Uiso   1.00
C986   C     0.52193   0.60747   0.07062   0.00000  Uiso   1.00
C987   C     0.55337   0.38235   0.04681   0.00000  Uiso   1.00
C988   C     0.54421   0.73806   0.26240   0.00000  Uiso   1.00
C989   C     0.55292   0.71104   0.26786   0.00000  Uiso   1.00
C990   C     0.53326   0.69254   0.27478   0.00000  Uiso   1.00
C991   C     0.50651   0.70044   0.27656   0.00000  Uiso   1.00
C992   C     0.49814   0.72569   0.26690   0.00000  Uiso   1.00
C993   C     0.37489   0.01921   0.16724   0.00000  Uiso   1.00
C995   C     0.31924   0.03187   0.15573   0.00000  Uiso   1.00
C996   C     0.33965   0.05208   0.15472   0.00000  Uiso   1.00
C997   C     0.74703   0.17464   0.08886   0.00000  Uiso   1.00
C998   C     0.63402   0.23594   0.08259   0.00000  Uiso   1.00
C999   C     0.62814   0.26095   0.06894   0.00000  Uiso   1.00
C1000  C     0.77288   0.16437   0.08504   0.00000  Uiso   1.00
C1001  C     0.78411   0.76850   0.20277   0.00000  Uiso   1.00
C1002  C     0.77829   0.79544   0.19597   0.00000  Uiso   1.00
C1003  C     0.82447   0.80682   0.19152   0.00000  Uiso   1.00
C1004  C     0.83183   0.78031   0.19894   0.00000  Uiso   1.00
C1005  C     0.81137   0.76010   0.20463   0.00000  Uiso   1.00
H534   H     0.78934   0.17722   0.07733   0.00000  Uiso   1.00
H535   H     0.42940   0.49054   0.09269   0.00000  Uiso   1.00
H537   H     0.84930   0.18344   0.06241   0.00000  Uiso   1.00
H538   H     0.66354   0.10880   0.12849   0.00000  Uiso   1.00
H539   H     0.43291   0.43795   0.08750   0.00000  Uiso   1.00
H540   H     0.76440   0.10225   0.11236   0.00000  Uiso   1.00
H542   H     0.88959   0.21112   0.04498   0.00000  Uiso   1.00
H543   H     0.63375   0.08031   0.14879   0.00000  Uiso   1.00
H544   H     0.51749   0.44649   0.06560   0.00000  Uiso   1.00
H545   H     0.61481   0.84005   0.22036   0.00000  Uiso   1.00
H547   H     0.58069   0.80829   0.23295   0.00000  Uiso   1.00
H548   H     0.92802   0.13474   0.02012   0.00000  Uiso   1.00
H549   H     0.51522   0.86080   0.20934   0.00000  Uiso   1.00
H551   H     0.89256   0.10918   0.04651   0.00000  Uiso   1.00
H552   H     0.45666   0.80419   0.23227   0.00000  Uiso   1.00
H553   H     0.51356   0.49923   0.06635   0.00000  Uiso   1.00
H554   H     0.52349   0.32275   0.06277   0.00000  Uiso   1.00
H555   H     0.70337   0.23431   0.06710   0.00000  Uiso   1.00
H558   H     0.50076   0.03062   0.17999   0.00000  Uiso   1.00
H559   H     0.71623   0.84175   0.19718   0.00000  Uiso   1.00
H560   H     0.62694   0.02232   0.16064   0.00000  Uiso   1.00
H561   H     0.66921   0.85624   0.20067   0.00000  Uiso   1.00
H562   H     0.45023   0.03761   0.18170   0.00000  Uiso   1.00
H563   H     0.00712   0.24967   0.00175   0.00000  Uiso   1.00
H564   H     0.02094   0.29840   0.00954   0.00000  Uiso   1.00
H565   H     0.71836   0.11778   0.12034   0.00000  Uiso   1.00
H566   H     0.94218   0.31183   0.04833   0.00000  Uiso   1.00
H567   H     0.46272   0.12403   0.17105   0.00000  Uiso   1.00
H568   H     0.93439   0.26331   0.04496   0.00000  Uiso   1.00
H571   H     0.51159   0.11795   0.16898   0.00000  Uiso   1.00
H572   H     0.43234   0.57807   0.09860   0.00000  Uiso   1.00
H573   H     0.53555   0.54398   0.05482   0.00000  Uiso   1.00
H574   H     0.57331   0.56367   0.02970   0.00000  Uiso   1.00
H575   H     0.54634   0.64057   0.05666   0.00000  Uiso   1.00
H576   H     0.38406   0.13297   0.15982   0.00000  Uiso   1.00
H577   H     0.50515   0.61952   0.08072   0.00000  Uiso   1.00
H579   H     0.59546   0.38834   0.03760   0.00000  Uiso   1.00
H580   H     0.60887   0.68089   0.01589   0.00000  Uiso   1.00
H581   H     0.56859   0.30608   0.05133   0.00000  Uiso   1.00
H582   H     0.54772   0.40315   0.04564   0.00000  Uiso   1.00
H583   H     0.56008   0.75184   0.25325   0.00000  Uiso   1.00
H584   H     0.67555   0.35964   0.04168   0.00000  Uiso   1.00
H585   H     0.57417   0.70707   0.26336   0.00000  Uiso   1.00
H586   H     0.56924   0.13548   0.14686   0.00000  Uiso   1.00
H587   H     0.53948   0.67319   0.28328   0.00000  Uiso   1.00
H588   H     0.49136   0.68455   0.28271   0.00000  Uiso   1.00
H589   H     0.41113   0.38586   0.09082   0.00000  Uiso   1.00
H590   H     0.47700   0.72808   0.26468   0.00000  Uiso   1.00
H591   H     0.39549   0.01503   0.17417   0.00000  Uiso   1.00
H592   H     0.37224   0.35701   0.09457   0.00000  Uiso   1.00
H594   H     0.29954   0.03907   0.14881   0.00000  Uiso   1.00
H595   H     0.33571   0.07294   0.14946   0.00000  Uiso   1.00
H596   H     0.41669   0.28935   0.06529   0.00000  Uiso   1.00
H598   H     0.83756   0.06979   0.09000   0.00000  Uiso   1.00
H600   H     0.61788   0.22490   0.09189   0.00000  Uiso   1.00
H601   H     0.74361   0.19425   0.08122   0.00000  Uiso   1.00
H603   H     0.45836   0.31724   0.06598   0.00000  Uiso   1.00
H604   H     0.60735   0.26897   0.07028   0.00000  Uiso   1.00
H605   H     0.04466   0.37450   0.02262   0.00000  Uiso   1.00
H606   H     0.81601   0.73967   0.20938   0.00000  Uiso   1.00
H607   H     0.30118   0.31402   0.08471   0.00000  Uiso   1.00
H608   H     0.77030   0.75287   0.21004   0.00000  Uiso   1.00
H609   H     0.69143   0.27439   0.04496   0.00000  Uiso   1.00
H610   H     0.75734   0.79995   0.19739   0.00000  Uiso   1.00
H611   H     0.84135   0.82025   0.18731   0.00000  Uiso   1.00
H612   H     0.34444   0.24805   0.06779   0.00000  Uiso   1.00
H613   H     0.85259   0.77511   0.19599   0.00000  Uiso   1.00
H614   H     0.59982   0.17174   0.12474   0.00000  Uiso   1.00
C1006  C     0.59865   0.10701   0.14907   0.00000  Uiso   1.00
C1008  C     0.77964   0.13726   0.09283   0.00000  Uiso   1.00
C1009  C     0.72670   0.15848   0.10106   0.00000  Uiso   1.00
C1010  C     0.58390   0.01374   0.17167   0.00000  Uiso   1.00
C1011  C     0.72993   0.88216   0.18221   0.00000  Uiso   1.00
C1012  C     0.51738   0.74574   0.25865   0.00000  Uiso   1.00
C1013  C     0.53148   0.36586   0.05565   0.00000  Uiso   1.00
C1014  C     0.66034   0.22576   0.08164   0.00000  Uiso   1.00
C1015  C     0.91260   0.17502   0.03390   0.00000  Uiso   1.00
C1016  C     0.32687   0.00453   0.16184   0.00000  Uiso   1.00
C1017  C     0.39242   0.32102   0.08324   0.00000  Uiso   1.00
C1018  C     0.50958   0.07374   0.17290   0.00000  Uiso   1.00
C1019  C     0.58431   0.86987   0.20606   0.00000  Uiso   1.00
C1020  C     0.36574   0.04694   0.16300   0.00000  Uiso   1.00
C1022  C     0.63485   0.14371   0.12588   0.00000  Uiso   1.00
C1023  C     0.56351   0.60465   0.04336   0.00000  Uiso   1.00
C1025  C     0.51774   0.57973   0.06759   0.00000  Uiso   1.00
C1026  C     0.43879   0.35267   0.08011   0.00000  Uiso   1.00
C1027  C     0.47481   0.44025   0.07516   0.00000  Uiso   1.00
C1028  C     0.45371   0.08108   0.17578   0.00000  Uiso   1.00
C1029  C     0.64900   0.27549   0.05593   0.00000  Uiso   1.00
C1030  C     0.54425   0.83195   0.22390   0.00000  Uiso   1.00
C1032  C     0.47180   0.49799   0.08008   0.00000  Uiso   1.00
C1033  C     0.79748   0.81541   0.18838   0.00000  Uiso   1.00
C1034  C     0.58564   0.34472   0.04623   0.00000  Uiso   1.00
C1035  C     0.86844   0.14549   0.05749   0.00000  Uiso   1.00
C1036  C     0.02291   0.36848   0.02924   0.00000  Uiso   1.00
C1038  C     0.39191   0.11388   0.16388   0.00000  Uiso   1.00
C1040  C     0.60867   0.65789   0.01791   0.00000  Uiso   1.00
C1041  C     0.47830   0.80059   0.23293   0.00000  Uiso   1.00
C1042  C     0.83323   0.08990   0.08458   0.00000  Uiso   1.00
C1043  C     0.32096   0.30520   0.08368   0.00000  Uiso   1.00
C1044  C     0.65932   0.34488   0.04318   0.00000  Uiso   1.00
C1046  C     0.34401   0.26923   0.07468   0.00000  Uiso   1.00
C1047  C     0.62179   0.61644   0.00177   0.00000  Uiso   1.00
C1048  C     0.79998   0.88393   0.16857   0.00000  Uiso   1.00
C1050  C     0.44974   0.56667   0.09370   0.00000  Uiso   1.00
N313   N     0.69471   0.57175   0.01330   0.00000  Uiso   1.00
N314   N     0.71126   0.52818   0.02010   0.00000  Uiso   1.00
N315   N     0.74158   0.56304   0.00563   0.00000  Uiso   1.00
N318   N     0.82820   0.44007   0.00723   0.00000  Uiso   1.00
N319   N     0.59341   0.49685   0.09435   0.00000  Uiso   1.00
N320   N     0.58333   0.54365   0.09233   0.00000  Uiso   1.00
N321   N     0.55476   0.51311   0.11471   0.00000  Uiso   1.00
N340   N     0.88125   0.30190   0.00482   0.00000  Uiso   1.00
N341   N     0.83954   0.29946   0.02442   0.00000  Uiso   1.00
N342   N     0.85701   0.26107   0.00580   0.00000  Uiso   1.00
N349   N     0.52704   0.34578   0.16946   0.00000  Uiso   1.00
N350   N     0.51593   0.38805   0.15214   0.00000  Uiso   1.00
N351   N     0.55734   0.37004   0.14173   0.00000  Uiso   1.00
C1051  C     0.59745   0.52216   0.08482   0.00000  Uiso   1.00
C1052  C     0.57192   0.49325   0.10954   0.00000  Uiso   1.00
C1065  C     0.86003   0.31363   0.01540   0.00000  Uiso   1.00
C1066  C     0.87907   0.27530   0.00067   0.00000  Uiso   1.00
C1069  C     0.73652   0.53762   0.01300   0.00000  Uiso   1.00
C1071  C     0.54028   0.39034   0.14083   0.00000  Uiso   1.00
C1072  C     0.68952   0.54625   0.02018   0.00000  Uiso   1.00
C1073  C     0.82836   0.46618   0.00050   0.00000  Uiso   1.00
C1074  C     0.71964   0.58024   0.00660   0.00000  Uiso   1.00
C1076  C     0.85149   0.42682   0.00209   0.00000  Uiso   1.00
C1077  C     0.83723   0.35606   0.02316   0.00000  Uiso   1.00
C1078  C     0.63940   0.50795   0.06062   0.00000  Uiso   1.00
C1087  C     0.88343   0.35753   0.00520   0.00000  Uiso   1.00
C1088  C     0.66099   0.51159   0.04264   0.00000  Uiso   1.00
C1089  C     0.88072   0.38686   0.00340   0.00000  Uiso   1.00
C1101  C     0.53119   0.43779   0.13490   0.00000  Uiso   1.00
C1102  C     0.54075   0.46408   0.13226   0.00000  Uiso   1.00
C1103  C     0.58234   0.44436   0.11034   0.00000  Uiso   1.00
C1104  C     0.57276   0.41829   0.11590   0.00000  Uiso   1.00
C1112  C     0.75616   0.49088   0.01333   0.00000  Uiso   1.00
C1117  C     0.77943   0.47415   0.01345   0.00000  Uiso   1.00
C1120  C     0.78450   0.52849   0.00251   0.00000  Uiso   1.00
C1122  C     0.64357   0.55579   0.03421   0.00000  Uiso   1.00
C1123  C     0.83471   0.38392   0.01966   0.00000  Uiso   1.00
C1128  C     0.62040   0.55083   0.04957   0.00000  Uiso   1.00
H616   H     0.68055   0.62005   0.00317   0.00000  Uiso   1.00
H617   H     0.81652   0.39417   0.02515   0.00000  Uiso   1.00
H626   H     0.51186   0.43658   0.14676   0.00000  Uiso   1.00
H628   H     0.52880   0.48197   0.13669   0.00000  Uiso   1.00
H629   H     0.60059   0.44822   0.09911   0.00000  Uiso   1.00
H630   H     0.63865   0.48705   0.06881   0.00000  Uiso   1.00
H631   H     0.58427   0.40039   0.10845   0.00000  Uiso   1.00
H635   H     0.90179   0.34619   0.00021   0.00000  Uiso   1.00
H637   H     0.67873   0.49814   0.04196   0.00000  Uiso   1.00
H640   H     0.81939   0.34440   0.02857   0.00000  Uiso   1.00
H655   H     0.73655   0.48081   0.01860   0.00000  Uiso   1.00
H656   H     0.60948   0.56877   0.05662   0.00000  Uiso   1.00
H657   H     0.82076   0.26092   0.02590   0.00000  Uiso   1.00
H658   H     0.77717   0.45305   0.01621   0.00000  Uiso   1.00
H669   H     0.56553   0.33254   0.15653   0.00000  Uiso   1.00
H671   H     0.49008   0.36323   0.17686   0.00000  Uiso   1.00
H680   H     0.64420   0.57445   0.02216   0.00000  Uiso   1.00
H682   H     0.54837   0.55378   0.11415   0.00000  Uiso   1.00
C1129  C     0.80512   0.48320   0.00485   0.00000  Uiso   1.00
C1132  C     0.61763   0.52613   0.06485   0.00000  Uiso   1.00
C1136  C     0.54755   0.41480   0.12995   0.00000  Uiso   1.00
C1137  C     0.75857   0.51961   0.01025   0.00000  Uiso   1.00
C1143  C     0.86028   0.34262   0.01529   0.00000  Uiso   1.00
C1144  C     0.85562   0.39979   0.00838   0.00000  Uiso   1.00
C1149  C     0.66537   0.53801   0.03122   0.00000  Uiso   1.00
C1151  C     0.56543   0.46646   0.11779   0.00000  Uiso   1.00
C1157  C     0.50997   0.36587   0.16747   0.00000  Uiso   1.00
C1162  C     0.54931   0.34746   0.15440   0.00000  Uiso   1.00
C1163  C     0.83822   0.27288   0.01929   0.00000  Uiso   1.00
C1167  C     0.56184   0.53758   0.10750   0.00000  Uiso   1.00
N385   N     0.81032   0.50638   0.07436   0.00000  Uiso   1.00
N386   N     0.84575   0.47607   0.06169   0.00000  Uiso   1.00
N387   N     0.85162   0.52173   0.05787   0.00000  Uiso   1.00
N388   N     0.76871   0.36522   0.09077   0.00000  Uiso   1.00
N389   N     0.72902   0.34367   0.10525   0.00000  Uiso   1.00
N390   N     0.73510   0.39117   0.10852   0.00000  Uiso   1.00
N391   N     0.80120   0.64683   0.03308   0.00000  Uiso   1.00
N392   N     0.76527   0.63946   0.06442   0.00000  Uiso   1.00
N393   N     0.76794   0.68058   0.04263   0.00000  Uiso   1.00
N394   N     0.99153   0.51208   0.03735   0.00000  Uiso   1.00
N396   N     0.98897   0.46468   0.04530   0.00000  Uiso   1.00
N397   N     0.66052   0.72536   0.11623   0.00000  Uiso   1.00
N398   N     0.65076   0.68143   0.13131   0.00000  Uiso   1.00
N399   N     0.62122   0.71820   0.13945   0.00000  Uiso   1.00
N400   N     0.55235   0.59568   0.18009   0.00000  Uiso   1.00
N401   N     0.50472   0.58612   0.18493   0.00000  Uiso   1.00
N402   N     0.52107   0.63075   0.18444   0.00000  Uiso   1.00
N403   N     0.84188   0.20016   0.11293   0.00000  Uiso   1.00
N404   N     0.83691   0.24416   0.09730   0.00000  Uiso   1.00
N405   N     0.79977   0.22233   0.11564   0.00000  Uiso   1.00
C1273  C     0.86185   0.49713   0.05734   0.00000  Uiso   1.00
C1274  C     0.75514   0.34228   0.09553   0.00000  Uiso   1.00
C1275  C     0.82022   0.48114   0.07212   0.00000  Uiso   1.00
C1276  C     0.82624   0.52633   0.06681   0.00000  Uiso   1.00
C1277  C     0.75848   0.38872   0.09685   0.00000  Uiso   1.00
C1278  C     0.78711   0.63086   0.05117   0.00000  Uiso   1.00
C1279  C     0.75549   0.66406   0.05939   0.00000  Uiso   1.00
C1280  C     0.97672   0.48962   0.04289   0.00000  Uiso   1.00
C1281  C     0.66704   0.69974   0.11909   0.00000  Uiso   1.00
C1282  C     0.62786   0.69195   0.14150   0.00000  Uiso   1.00
C1283  C     0.54726   0.62203   0.18031   0.00000  Uiso   1.00
C1284  C     0.81030   0.24490   0.10438   0.00000  Uiso   1.00
C1285  C     0.77958   0.46043   0.09136   0.00000  Uiso   1.00
C1286  C     0.90195   0.46907   0.05429   0.00000  Uiso   1.00
C1287  C     0.93017   0.46750   0.04914   0.00000  Uiso   1.00
C1288  C     0.79105   0.55737   0.07651   0.00000  Uiso   1.00
C1289  C     0.81581   0.43179   0.07644   0.00000  Uiso   1.00
C1290  C     0.78129   0.58448   0.07116   0.00000  Uiso   1.00
C1291  C     0.72054   0.65559   0.09431   0.00000  Uiso   1.00
C1292  C     0.69904   0.66478   0.10971   0.00000  Uiso   1.00
C1293  C     0.70912   0.70973   0.09359   0.00000  Uiso   1.00
C1294  C     0.72552   0.69916   0.07372   0.00000  Uiso   1.00
C1295  C     0.82183   0.59927   0.04741   0.00000  Uiso   1.00
C1296  C     0.79946   0.40932   0.08195   0.00000  Uiso   1.00
C1297  C     0.83284   0.57488   0.05435   0.00000  Uiso   1.00
C1298  C     0.80741   0.29025   0.08680   0.00000  Uiso   1.00
C1299  C     0.79366   0.31410   0.08195   0.00000  Uiso   1.00
C1300  C     0.75329   0.29463   0.10182   0.00000  Uiso   1.00
C1301  C     0.76826   0.27027   0.10657   0.00000  Uiso   1.00
C1302  C     0.56494   0.66878   0.17644   0.00000  Uiso   1.00
C1303  C     0.58481   0.68594   0.16558   0.00000  Uiso   1.00
C1304  C     0.61650   0.64653   0.16199   0.00000  Uiso   1.00
C1305  C     0.59445   0.63114   0.17262   0.00000  Uiso   1.00
C1306  C     0.93431   0.51561   0.04651   0.00000  Uiso   1.00
C1307  C     0.76303   0.43798   0.09511   0.00000  Uiso   1.00
C1308  C     0.90624   0.51773   0.05139   0.00000  Uiso   1.00
H743   H     0.73464   0.71092   0.05859   0.00000  Uiso   1.00
H744   H     0.76159   0.58777   0.07789   0.00000  Uiso   1.00
H747   H     0.80002   0.68394   0.01514   0.00000  Uiso   1.00
H748   H     0.77077   0.47965   0.09541   0.00000  Uiso   1.00
H749   H     0.63273   0.75484   0.12005   0.00000  Uiso   1.00
H750   H     0.83315   0.61278   0.03541   0.00000  Uiso   1.00
H751   H     0.80830   0.39031   0.07778   0.00000  Uiso   1.00
H752   H     0.89244   0.44970   0.05407   0.00000  Uiso   1.00
H753   H     0.85269   0.56974   0.04616   0.00000  Uiso   1.00
H754   H     0.77823   0.54338   0.08630   0.00000  Uiso   1.00
H755   H     0.82949   0.29182   0.08334   0.00000  Uiso   1.00
H756   H     0.83503   0.42681   0.06555   0.00000  Uiso   1.00
H757   H     0.80500   0.33247   0.07195   0.00000  Uiso   1.00
H758   H     0.73151   0.29531   0.10643   0.00000  Uiso   1.00
H759   H     0.75822   0.25520   0.11744   0.00000  Uiso   1.00
H760   H     0.54705   0.67678   0.18626   0.00000  Uiso   1.00
H761   H     0.72530   0.63332   0.09510   0.00000  Uiso   1.00
H762   H     0.58131   0.70730   0.16414   0.00000  Uiso   1.00
H763   H     0.70122   0.37194   0.12076   0.00000  Uiso   1.00
H764   H     0.63561   0.63690   0.15462   0.00000  Uiso   1.00
H765   H     0.68918   0.65018   0.12282   0.00000  Uiso   1.00
H766   H     0.59823   0.60970   0.17346   0.00000  Uiso   1.00
H767   H     0.53774   0.55933   0.18133   0.00000  Uiso   1.00
H768   H     0.47944   0.61973   0.19099   0.00000  Uiso   1.00
H769   H     0.94611   0.53529   0.04563   0.00000  Uiso   1.00
H770   H     0.93785   0.44537   0.04782   0.00000  Uiso   1.00
H771   H     0.80733   0.18251   0.12847   0.00000  Uiso   1.00
H772   H     0.70656   0.73231   0.09280   0.00000  Uiso   1.00
H773   H     0.87438   0.22626   0.09856   0.00000  Uiso   1.00
H774   H     0.89657   0.53750   0.04774   0.00000  Uiso   1.00
H775   H     0.74470   0.44359   0.10478   0.00000  Uiso   1.00
C1309  C     0.94767   0.49066   0.04513   0.00000  Uiso   1.00
C1310  C     0.76682   0.31700   0.09156   0.00000  Uiso   1.00
C1311  C     0.80569   0.45753   0.08105   0.00000  Uiso   1.00
C1312  C     0.56754   0.64064   0.17688   0.00000  Uiso   1.00
C1313  C     0.81695   0.55333   0.06748   0.00000  Uiso   1.00
C1314  C     0.77304   0.41248   0.08995   0.00000  Uiso   1.00
C1315  C     0.69165   0.69219   0.10803   0.00000  Uiso   1.00
C1316  C     0.73275   0.67280   0.07545   0.00000  Uiso   1.00
C1317  C     0.79585   0.26832   0.09939   0.00000  Uiso   1.00
C1318  C     0.79599   0.60447   0.05595   0.00000  Uiso   1.00
C1319  C     0.61056   0.67403   0.15638   0.00000  Uiso   1.00
C1320  C     0.89030   0.49368   0.05356   0.00000  Uiso   1.00
C1321  C     0.53132   0.57982   0.18345   0.00000  Uiso   1.00
C1322  C     0.72085   0.36896   0.11281   0.00000  Uiso   1.00
C1323  C     0.63803   0.73353   0.12610   0.00000  Uiso   1.00
C1324  C     0.85225   0.22215   0.10263   0.00000  Uiso   1.00
C1325  C     0.50010   0.61303   0.18447   0.00000  Uiso   1.00
C1327  C     0.79049   0.67132   0.03083   0.00000  Uiso   1.00
C1329  C     0.81594   0.20183   0.12089   0.00000  Uiso   1.00
N426   N     0.95350   0.00044   0.18418   0.00000  Uiso   1.00
N429   N     0.58358   0.00566   0.07759   0.00000  Uiso   1.00
H805   H     0.91336   0.00387   0.19140   0.00000  Uiso   1.00
H814   H     0.62315   0.00884   0.06372   0.00000  Uiso   1.00
N295   N     0.98234   0.20964   0.00572   0.00000  Uiso   1.00
N310   N     0.97378   0.35471   0.04388   0.00000  Uiso   1.00
C930   C     0.96390   0.22403   0.01884   0.00000  Uiso   1.00
C939   C     0.98950   0.33727   0.02956   0.00000  Uiso   1.00
C977   C     0.99299   0.26360   0.00909   0.00000  Uiso   1.00
H602   H     0.96984   0.39581   0.05583   0.00000  Uiso   1.00
C1007  C     0.96866   0.25320   0.01939   0.00000  Uiso   1.00
C1031  C     0.98207   0.30981   0.02534   0.00000  Uiso   1.00
C1039  C     0.98305   0.37957   0.04750   0.00000  Uiso   1.00
C1049  C     0.97804   0.18338   0.00522   0.00000  Uiso   1.00
N252   N     0.00399   0.33315   0.09964   0.00000  Uiso   1.00
H465   H     0.00478   0.40373   0.12530   0.00000  Uiso   1.00
C902   C     0.00452   0.38367   0.11773   0.00000  Uiso   1.00
C195   C     0.75882   0.34497   0.00593   0.00000  Uiso   1.00
C197   C     0.76029   0.28799   0.00054   0.00000  Uiso   1.00
C198   C     0.74212   0.30087   0.01935   0.00000  Uiso   1.00
C199   C     0.74097   0.32924   0.02113   0.00000  Uiso   1.00
H107   H     0.72435   0.33926   0.03347   0.00000  Uiso   1.00
H109   H     0.75727   0.36649   0.00615   0.00000  Uiso   1.00
H115   H     0.72873   0.28695   0.03022   0.00000  Uiso   1.00
N73    N     0.08198   0.83100   0.05738   0.00000  Uiso   1.00
N74    N     0.09175   0.79169   0.03275   0.00000  Uiso   1.00
N75    N     0.04729   0.80322   0.04069   0.00000  Uiso   1.00
N76    N     0.22041   0.86713   0.05330   0.00000  Uiso   1.00
N77    N     0.22785   0.82382   0.03464   0.00000  Uiso   1.00
N78    N     0.26311   0.85491   0.03570   0.00000  Uiso   1.00
N83    N     0.27383   0.99481   0.08547   0.00000  Uiso   1.00
N84    N     0.31362   0.98264   0.06468   0.00000  Uiso   1.00
H152   H     0.17087   0.87203   0.06880   0.00000  Uiso   1.00
H153   H     0.12300   0.85485   0.07276   0.00000  Uiso   1.00
H154   H     0.14363   0.77888   0.03131   0.00000  Uiso   1.00
H155   H     0.19112   0.79655   0.03016   0.00000  Uiso   1.00
H157   H     0.01420   0.76598   0.02469   0.00000  Uiso   1.00
H160   H     0.09798   0.75484   0.00409   0.00000  Uiso   1.00
H161   H     0.30206   0.84188   0.01255   0.00000  Uiso   1.00
H164   H     0.24178   0.77660   0.01131   0.00000  Uiso   1.00
H167   H     0.23700   0.96023   0.08020   0.00000  Uiso   1.00
H168   H     0.22162   0.91407   0.07600   0.00000  Uiso   1.00
H169   H     0.29631   0.89140   0.03417   0.00000  Uiso   1.00
H170   H     0.31358   0.93948   0.04609   0.00000  Uiso   1.00
H171   H     0.01093   0.95926   0.11505   0.00000  Uiso   1.00
H173   H     0.00435   0.82064   0.04804   0.00000  Uiso   1.00
H183   H     0.35271   0.98242   0.03367   0.00000  Uiso   1.00
H184   H     0.39780   0.99429   0.01639   0.00000  Uiso   1.00
H193   H     0.02975   0.90150   0.10139   0.00000  Uiso   1.00
H196   H     0.06514   0.86941   0.08419   0.00000  Uiso   1.00
C262   C     0.24604   0.87214   0.04842   0.00000  Uiso   1.00
C263   C     0.05589   0.82499   0.05525   0.00000  Uiso   1.00
C264   C     0.28939   0.97640   0.07279   0.00000  Uiso   1.00
C270   C     0.06532   0.78605   0.03066   0.00000  Uiso   1.00
C274   C     0.21152   0.84255   0.04641   0.00000  Uiso   1.00
C276   C     0.09937   0.81246   0.04727   0.00000  Uiso   1.00
C279   C     0.25305   0.83032   0.02975   0.00000  Uiso   1.00
C280   C     0.14808   0.79963   0.03811   0.00000  Uiso   1.00
C282   C     0.07687   0.74893   0.00343   0.00000  Uiso   1.00
C284   C     0.16532   0.85108   0.06177   0.00000  Uiso   1.00
C285   C     0.28281   0.90667   0.04361   0.00000  Uiso   1.00
C286   C     0.29671   0.82047   0.00919   0.00000  Uiso   1.00
C287   C     0.00844   0.83814   0.05941   0.00000  Uiso   1.00
C290   C     0.17662   0.80817   0.03983   0.00000  Uiso   1.00
C293   C     0.36404   0.99800   0.04359   0.00000  Uiso   1.00
C296   C     0.29298   0.93269   0.05086   0.00000  Uiso   1.00
C297   C     0.26221   0.78376   0.00769   0.00000  Uiso   1.00
C298   C     0.02392   0.88593   0.08748   0.00000  Uiso   1.00
C299   C     0.02987   0.75511   0.01575   0.00000  Uiso   1.00
C308   C     0.13839   0.84078   0.06362   0.00000  Uiso   1.00
C311   C     0.04385   0.86658   0.07917   0.00000  Uiso   1.00
C314   C     0.25080   0.94441   0.07376   0.00000  Uiso   1.00
C318   C     0.24096   0.91864   0.06863   0.00000  Uiso   1.00
C322   C     0.05690   0.76334   0.01716   0.00000  Uiso   1.00
C325   C     0.27729   0.95057   0.06611   0.00000  Uiso   1.00
C326   C     0.27052   0.81098   0.01624   0.00000  Uiso   1.00
C327   C     0.03642   0.84380   0.06305   0.00000  Uiso   1.00
C329   C     0.18480   0.83372   0.05056   0.00000  Uiso   1.00
C331   C     0.12828   0.81748   0.04969   0.00000  Uiso   1.00
C338   C     0.25669   0.89852   0.05346   0.00000  Uiso   1.00
C501   C     0.01900   0.93670   0.01424   0.00000  Uiso   1.00
H278   H     0.03943   0.94598   0.01324   0.00000  Uiso   1.00
C547   C     0.01536   0.90976   0.00635   0.00000  Uiso   1.00
C706   C     0.23037   0.95929   0.00457   0.00000  Uiso   1.00
C708   C     0.22091   0.98302   0.01710   0.00000  Uiso   1.00
C730   C     0.26534   0.99924   0.01743   0.00000  Uiso   1.00
C731   C     0.27487   0.97674   0.00296   0.00000  Uiso   1.00
H420   H     0.21454   0.94522   0.00222   0.00000  Uiso   1.00
H425   H     0.07359   0.48964   0.00464   0.00000  Uiso   1.00
H430   H     0.29636   0.97515   0.00027   0.00000  Uiso   1.00
H441   H     0.20009   0.98436   0.02273   0.00000  Uiso   1.00
N229   N     0.47207   0.36788   0.00850   0.00000  Uiso   1.00
N230   N     0.42955   0.34556   0.00980   0.00000  Uiso   1.00
N231   N     0.43143   0.39268   0.01240   0.00000  Uiso   1.00
N232   N     0.28602   0.37243   0.03862   0.00000  Uiso   1.00
N233   N     0.25640   0.40795   0.05362   0.00000  Uiso   1.00
N234   N     0.29812   0.41772   0.03658   0.00000  Uiso   1.00
N235   N     0.17125   0.28857   0.03969   0.00000  Uiso   1.00
N236   N     0.14576   0.32513   0.05546   0.00000  Uiso   1.00
N237   N     0.12394   0.28653   0.04374   0.00000  Uiso   1.00
N241   N     0.21525   0.58504   0.05521   0.00000  Uiso   1.00
N242   N     0.25514   0.55680   0.05025   0.00000  Uiso   1.00
N243   N     0.21299   0.53685   0.05706   0.00000  Uiso   1.00
N244   N     0.45687   0.63527   0.03369   0.00000  Uiso   1.00
N245   N     0.46895   0.67919   0.04715   0.00000  Uiso   1.00
N246   N     0.50103   0.65250   0.02639   0.00000  Uiso   1.00
N247   N     0.55388   0.78866   0.01789   0.00000  Uiso   1.00
N249   N     0.58759   0.75607   0.00895   0.00000  Uiso   1.00
N250   N     0.98131   0.37077   0.11706   0.00000  Uiso   1.00
N251   N     0.02702   0.37344   0.10728   0.00000  Uiso   1.00
N256   N     0.51484   0.92546   0.03146   0.00000  Uiso   1.00
N257   N     0.53158   0.96827   0.03607   0.00000  Uiso   1.00
N258   N     0.55942   0.93564   0.02020   0.00000  Uiso   1.00
N259   N     0.33883   0.69017   0.10899   0.00000  Uiso   1.00
N260   N     0.30606   0.66487   0.13231   0.00000  Uiso   1.00
N261   N     0.33704   0.64307   0.10441   0.00000  Uiso   1.00
C772   C     0.16970   0.31283   0.05017   0.00000  Uiso   1.00
C773   C     0.12409   0.31120   0.05296   0.00000  Uiso   1.00
C774   C     0.14791   0.27573   0.03636   0.00000  Uiso   1.00
C777   C     0.24272   0.58139   0.05246   0.00000  Uiso   1.00
C779   C     0.24002   0.53500   0.05467   0.00000  Uiso   1.00
C780   C     0.45610   0.34625   0.00748   0.00000  Uiso   1.00
C782   C     0.45099   0.65968   0.04525   0.00000  Uiso   1.00
C783   C     0.41675   0.36934   0.01277   0.00000  Uiso   1.00
C784   C     0.49315   0.67512   0.03736   0.00000  Uiso   1.00
C786   C     0.48131   0.63284   0.02356   0.00000  Uiso   1.00
C787   C     0.45850   0.39215   0.01062   0.00000  Uiso   1.00
C788   C     0.56915   0.80681   0.00531   0.00000  Uiso   1.00
C789   C     0.56349   0.76256   0.01751   0.00000  Uiso   1.00
C790   C     0.02670   0.34770   0.09882   0.00000  Uiso   1.00
C792   C     0.53974   0.91752   0.02291   0.00000  Uiso   1.00
C793   C     0.26192   0.38185   0.04796   0.00000  Uiso   1.00
C794   C     0.27446   0.42685   0.04647   0.00000  Uiso   1.00
C795   C     0.34918   0.66658   0.09995   0.00000  Uiso   1.00
C796   C     0.30372   0.39170   0.03330   0.00000  Uiso   1.00
C801   C     0.27992   0.50169   0.04886   0.00000  Uiso   1.00
C802   C     0.21941   0.31842   0.04368   0.00000  Uiso   1.00
C803   C     0.50213   0.41506   0.00720   0.00000  Uiso   1.00
C805   C     0.47181   0.58552   0.00874   0.00000  Uiso   1.00
C808   C     0.24160   0.33576   0.04373   0.00000  Uiso   1.00
C809   C     0.51865   0.43785   0.00321   0.00000  Uiso   1.00
C810   C     0.46883   0.27180   0.00381   0.00000  Uiso   1.00
C811   C     0.45451   0.29598   0.00283   0.00000  Uiso   1.00
C812   C     0.40625   0.64036   0.05563   0.00000  Uiso   1.00
C813   C     0.38185   0.64138   0.07288   0.00000  Uiso   1.00
C814   C     0.38970   0.68918   0.07837   0.00000  Uiso   1.00
C815   C     0.41536   0.68744   0.06580   0.00000  Uiso   1.00
C816   C     0.09821   0.34668   0.07702   0.00000  Uiso   1.00
C817   C     0.07391   0.35233   0.09246   0.00000  Uiso   1.00
C818   C     0.05007   0.31510   0.07024   0.00000  Uiso   1.00
C819   C     0.07479   0.30527   0.05820   0.00000  Uiso   1.00
C820   C     0.52037   0.74576   0.03875   0.00000  Uiso   1.00
C821   C     0.50404   0.72375   0.04433   0.00000  Uiso   1.00
C822   C     0.53869   0.69181   0.02534   0.00000  Uiso   1.00
C823   C     0.55640   0.71498   0.02049   0.00000  Uiso   1.00
C824   C     0.35024   0.40565   0.02284   0.00000  Uiso   1.00
C825   C     0.49786   0.31880   0.00054   0.00000  Uiso   1.00
C826   C     0.53576   0.84190   0.01847   0.00000  Uiso   1.00
C827   C     0.52678   0.86864   0.02151   0.00000  Uiso   1.00
C828   C     0.57186   0.88368   0.00580   0.00000  Uiso   1.00
C830   C     0.37848   0.40078   0.01670   0.00000  Uiso   1.00
C835   C     0.36876   0.35316   0.01539   0.00000  Uiso   1.00
C836   C     0.51181   0.29568   0.00234   0.00000  Uiso   1.00
C837   C     0.34098   0.35926   0.02031   0.00000  Uiso   1.00
C842   C     0.46255   0.44214   0.01068   0.00000  Uiso   1.00
C843   C     0.23386   0.48655   0.06040   0.00000  Uiso   1.00
C845   C     0.17418   0.24186   0.01233   0.00000  Uiso   1.00
C846   C     0.12454   0.23855   0.01382   0.00000  Uiso   1.00
C848   C     0.47869   0.46578   0.00615   0.00000  Uiso   1.00
C849   C     0.24267   0.45916   0.06103   0.00000  Uiso   1.00
C850   C     0.19339   0.35446   0.06162   0.00000  Uiso   1.00
C851   C     0.28902   0.47466   0.04787   0.00000  Uiso   1.00
C852   C     0.21623   0.37198   0.06113   0.00000  Uiso   1.00
C863   C     0.24698   0.63116   0.05244   0.00000  Uiso   1.00
C864   C     0.26380   0.65316   0.05417   0.00000  Uiso   1.00
C865   C     0.29211   0.65133   0.05523   0.00000  Uiso   1.00
C866   C     0.30389   0.62489   0.05217   0.00000  Uiso   1.00
C867   C     0.28666   0.60278   0.04808   0.00000  Uiso   1.00
H455   H     0.34264   0.42653   0.02267   0.00000  Uiso   1.00
H457   H     0.52169   0.82620   0.02712   0.00000  Uiso   1.00
H458   H     0.50723   0.87457   0.03150   0.00000  Uiso   1.00
H459   H     0.22076   0.29740   0.03799   0.00000  Uiso   1.00
H460   H     0.58611   0.89966   0.00284   0.00000  Uiso   1.00
H461   H     0.51125   0.39497   0.00713   0.00000  Uiso   1.00
H463   H     0.96457   0.33348   0.10604   0.00000  Uiso   1.00
H464   H     0.25888   0.32788   0.03359   0.00000  Uiso   1.00
H466   H     0.39191   0.41799   0.01648   0.00000  Uiso   1.00
H467   H     0.51100   0.33565   0.00602   0.00000  Uiso   1.00
H469   H     0.45576   0.25340   0.00245   0.00000  Uiso   1.00
H471   H     0.18004   0.56451   0.05953   0.00000  Uiso   1.00
H475   H     0.41156   0.61936   0.04964   0.00000  Uiso   1.00
H476   H     0.37541   0.33234   0.01056   0.00000  Uiso   1.00
H478   H     0.37192   0.62301   0.07652   0.00000  Uiso   1.00
H480   H     0.46674   0.48495   0.00699   0.00000  Uiso   1.00
H482   H     0.38072   0.70902   0.08311   0.00000  Uiso   1.00
H485   H     0.32683   0.34173   0.02227   0.00000  Uiso   1.00
H486   H     0.49338   0.95861   0.04788   0.00000  Uiso   1.00
H487   H     0.57250   0.97304   0.02838   0.00000  Uiso   1.00
H488   H     0.42508   0.70661   0.06565   0.00000  Uiso   1.00
H489   H     0.53426   0.29437   0.00119   0.00000  Uiso   1.00
H490   H     0.30771   0.70684   0.13263   0.00000  Uiso   1.00
H491   H     0.44041   0.44427   0.01200   0.00000  Uiso   1.00
H492   H     0.30663   0.62254   0.12480   0.00000  Uiso   1.00
H493   H     0.21336   0.49205   0.06700   0.00000  Uiso   1.00
H495   H     0.11687   0.35879   0.08079   0.00000  Uiso   1.00
H496   H     0.19225   0.25392   0.01605   0.00000  Uiso   1.00
H497   H     0.10580   0.24372   0.02317   0.00000  Uiso   1.00
H498   H     0.07379   0.37006   0.10676   0.00000  Uiso   1.00
H502   H     0.22758   0.44286   0.06194   0.00000  Uiso   1.00
H503   H     0.03273   0.30334   0.06784   0.00000  Uiso   1.00
H505   H     0.17501   0.36072   0.07097   0.00000  Uiso   1.00
H507   H     0.07309   0.28747   0.04536   0.00000  Uiso   1.00
H508   H     0.30851   0.46921   0.03802   0.00000  Uiso   1.00
H509   H     0.21447   0.39198   0.06797   0.00000  Uiso   1.00
H511   H     0.54002   0.43678   0.00266   0.00000  Uiso   1.00
H513   H     0.51137   0.76635   0.03949   0.00000  Uiso   1.00
H515   H     0.45200   0.58966   0.01578   0.00000  Uiso   1.00
H517   H     0.48268   0.72646   0.04985   0.00000  Uiso   1.00
H522   H     0.54520   0.67116   0.01650   0.00000  Uiso   1.00
H524   H     0.29396   0.51824   0.04138   0.00000  Uiso   1.00
H526   H     0.57666   0.70948   0.01250   0.00000  Uiso   1.00
H527   H     0.22481   0.63335   0.05279   0.00000  Uiso   1.00
H528   H     0.43162   0.29671   0.00410   0.00000  Uiso   1.00
H529   H     0.25526   0.67364   0.05654   0.00000  Uiso   1.00
H530   H     0.30180   0.67093   0.05384   0.00000  Uiso   1.00
H532   H     0.32514   0.62183   0.04859   0.00000  Uiso   1.00
H533   H     0.29620   0.58309   0.04527   0.00000  Uiso   1.00
C868   C     0.26913   0.45394   0.05157   0.00000  Uiso   1.00
C869   C     0.33092   0.38512   0.02596   0.00000  Uiso   1.00
C870   C     0.19373   0.32896   0.05152   0.00000  Uiso   1.00
C871   C     0.54522   0.88992   0.01499   0.00000  Uiso   1.00
C872   C     0.09906   0.32162   0.06190   0.00000  Uiso   1.00
C875   C     0.42441   0.66300   0.05509   0.00000  Uiso   1.00
C876   C     0.37328   0.66581   0.08404   0.00000  Uiso   1.00
C878   C     0.50611   0.46301   0.00209   0.00000  Uiso   1.00
C879   C     0.51223   0.69703   0.03700   0.00000  Uiso   1.00
C881   C     0.48996   0.60837   0.01016   0.00000  Uiso   1.00
C882   C     0.56112   0.83459   0.00697   0.00000  Uiso   1.00
C884   C     0.25192   0.50786   0.05532   0.00000  Uiso   1.00
C885   C     0.14936   0.25133   0.02100   0.00000  Uiso   1.00
C887   C     0.47374   0.41577   0.01063   0.00000  Uiso   1.00
C888   C     0.54784   0.74151   0.02680   0.00000  Uiso   1.00
C889   C     0.38785   0.37320   0.01472   0.00000  Uiso   1.00
C891   C     0.05023   0.33726   0.08905   0.00000  Uiso   1.00
C892   C     0.46957   0.32086   0.00325   0.00000  Uiso   1.00
C893   C     0.24047   0.36266   0.05251   0.00000  Uiso   1.00
C896   C     0.25778   0.60517   0.05052   0.00000  Uiso   1.00
C898   C     0.98178   0.34581   0.10777   0.00000  Uiso   1.00
C900   C     0.55477   0.96030   0.02639   0.00000  Uiso   1.00
C901   C     0.31792   0.68789   0.12545   0.00000  Uiso   1.00
C903   C     0.51214   0.94998   0.03956   0.00000  Uiso   1.00
C905   C     0.31476   0.64301   0.12008   0.00000  Uiso   1.00
C909   C     0.20214   0.56141   0.05715   0.00000  Uiso   1.00
N373   N     0.38906   0.23015   0.00394   0.00000  Uiso   1.00
N374   N     0.40495   0.18371   0.00589   0.00000  Uiso   1.00
H688   H     0.42805   0.21855   0.01426   0.00000  Uiso   1.00
H740   H     0.37172   0.27616   0.00059   0.00000  Uiso   1.00
C1267  C     0.40805   0.21128   0.00819   0.00000  Uiso   1.00
N421   N     0.08026   0.55399   0.09306   0.00000  Uiso   1.00
N422   N     0.04848   0.51983   0.09330   0.00000  Uiso   1.00
N423   N     0.03384   0.56262   0.10202   0.00000  Uiso   1.00
N430   N     0.03028   0.71885   0.06812   0.00000  Uiso   1.00
N431   N     0.06098   0.74133   0.09471   0.00000  Uiso   1.00
N432   N     0.07616   0.70685   0.06670   0.00000  Uiso   1.00
N436   N     0.17305   0.46650   0.03575   0.00000  Uiso   1.00
N437   N     0.14195   0.43204   0.04041   0.00000  Uiso   1.00
N438   N     0.18048   0.42429   0.01581   0.00000  Uiso   1.00
C1344  C     0.07297   0.52896   0.08843   0.00000  Uiso   1.00
C1345  C     0.02932   0.53618   0.10352   0.00000  Uiso   1.00
C1348  C     0.03559   0.73692   0.08660   0.00000  Uiso   1.00
C1349  C     0.05082   0.70422   0.05904   0.00000  Uiso   1.00
C1351  C     0.14988   0.45688   0.04574   0.00000  Uiso   1.00
C1372  C     0.01819   0.77452   0.11402   0.00000  Uiso   1.00
C1375  C     0.13897   0.50172   0.06448   0.00000  Uiso   1.00
C1376  C     0.11988   0.51901   0.07437   0.00000  Uiso   1.00
C1377  C     0.08687   0.48302   0.07836   0.00000  Uiso   1.00
C1378  C     0.10689   0.46467   0.07081   0.00000  Uiso   1.00
C1397  C     0.06555   0.66390   0.02789   0.00000  Uiso   1.00
C1398  C     0.05528   0.64418   0.01066   0.00000  Uiso   1.00
C1399  C     0.02800   0.64167   0.00439   0.00000  Uiso   1.00
C1400  C     0.00891   0.65953   0.01483   0.00000  Uiso   1.00
C1401  C     0.01841   0.67977   0.03252   0.00000  Uiso   1.00
H779   H     0.00369   0.80935   0.13668   0.00000  Uiso   1.00
H780   H     0.03821   0.77911   0.11793   0.00000  Uiso   1.00
H786   H     0.15749   0.51127   0.05669   0.00000  Uiso   1.00
H788   H     0.12283   0.54029   0.07363   0.00000  Uiso   1.00
H789   H     0.06908   0.47315   0.08417   0.00000  Uiso   1.00
H790   H     0.10165   0.44506   0.06432   0.00000  Uiso   1.00
H791   H     0.01616   0.48468   0.10177   0.00000  Uiso   1.00
H817   H     0.10158   0.73180   0.08957   0.00000  Uiso   1.00
H824   H     0.20705   0.45722   0.01140   0.00000  Uiso   1.00
H827   H     0.14999   0.39457   0.02330   0.00000  Uiso   1.00
H829   H     0.08729   0.66402   0.03419   0.00000  Uiso   1.00
H830   H     0.06166   0.59251   0.09948   0.00000  Uiso   1.00
H831   H     0.07147   0.63075   0.00371   0.00000  Uiso   1.00
H836   H     0.00303   0.69233   0.04132   0.00000  Uiso   1.00
C1404  C     0.00378   0.52503   0.10886   0.00000  Uiso   1.00
C1409  C     0.01372   0.75317   0.09594   0.00000  Uiso   1.00
C1411  C     0.13349   0.47440   0.06147   0.00000  Uiso   1.00
C1419  C     0.09262   0.51043   0.08069   0.00000  Uiso   1.00
C1423  C     0.04515   0.68242   0.03990   0.00000  Uiso   1.00
C1427  C     0.08099   0.72648   0.08412   0.00000  Uiso   1.00
C1428  C     0.15763   0.41488   0.02732   0.00000  Uiso   1.00
C1433  C     0.05941   0.57057   0.09918   0.00000  Uiso   1.00
C1434  C     0.18834   0.44990   0.01995   0.00000  Uiso   1.00
C1478  C     0.75229   0.19226   0.00487   0.00000  Uiso   1.00
C1479  C     0.72724   0.20571   0.00039   0.00000  Uiso   1.00
C1480  C     0.70527   0.16177   0.00119   0.00000  Uiso   1.00
C1481  C     0.73109   0.14861   0.00441   0.00000  Uiso   1.00
C1482  C     0.75450   0.16345   0.00784   0.00000  Uiso   1.00
H838   H     0.77427   0.15277   0.01022   0.00000  Uiso   1.00
H840   H     0.76984   0.20472   0.00456   0.00000  Uiso   1.00
H842   H     0.72599   0.22729   0.00072   0.00000  Uiso   1.00
H845   H     0.72864   0.12654   0.00563   0.00000  Uiso   1.00
C1515  C     0.70340   0.19070   0.00043   0.00000  Uiso   1.00
N1     N     0.60882   0.70153   0.06812   0.00000  Uiso   1.00
N2     N     0.64600   0.67239   0.06164   0.00000  Uiso   1.00
N3     N     0.60688   0.65855   0.08628   0.00000  Uiso   1.00
N5     N     0.72396   0.77299   0.00792   0.00000  Uiso   1.00
N6     N     0.68961   0.80296   0.00838   0.00000  Uiso   1.00
N10    N     0.43718   0.70556   0.12614   0.00000  Uiso   1.00
N11    N     0.47931   0.72300   0.11579   0.00000  Uiso   1.00
N12    N     0.47466   0.67705   0.12591   0.00000  Uiso   1.00
N16    N     0.41826   0.87047   0.18462   0.00000  Uiso   1.00
N17    N     0.44816   0.84471   0.15854   0.00000  Uiso   1.00
N18    N     0.40345   0.82943   0.16637   0.00000  Uiso   1.00
N19    N     0.70886   0.50942   0.10778   0.00000  Uiso   1.00
N20    N     0.70515   0.55166   0.08658   0.00000  Uiso   1.00
N21    N     0.67134   0.53683   0.11494   0.00000  Uiso   1.00
N22    N     0.40210   0.56646   0.16204   0.00000  Uiso   1.00
N23    N     0.36232   0.54133   0.16332   0.00000  Uiso   1.00
N24    N     0.36017   0.58901   0.16407   0.00000  Uiso   1.00
N25    N     0.18276   0.53622   0.14191   0.00000  Uiso   1.00
N26    N     0.21790   0.56722   0.14927   0.00000  Uiso   1.00
N27    N     0.22770   0.52166   0.14283   0.00000  Uiso   1.00
C4     C     0.45284   0.72614   0.12138   0.00000  Uiso   1.00
C5     C     0.49000   0.69818   0.11643   0.00000  Uiso   1.00
C6     C     0.44794   0.68111   0.12981   0.00000  Uiso   1.00
C9     C     0.44278   0.86647   0.17439   0.00000  Uiso   1.00
C10    C     0.63153   0.65470   0.07643   0.00000  Uiso   1.00
C11    C     0.42719   0.82702   0.15506   0.00000  Uiso   1.00
C13    C     0.39917   0.85182   0.18015   0.00000  Uiso   1.00
C14    C     0.63403   0.69623   0.05898   0.00000  Uiso   1.00
C15    C     0.69844   0.77857   0.01410   0.00000  Uiso   1.00
C16    C     0.68207   0.55501   0.09921   0.00000  Uiso   1.00
C17    C     0.59602   0.68246   0.08169   0.00000  Uiso   1.00
C18    C     0.68491   0.51375   0.12013   0.00000  Uiso   1.00
C20    C     0.38931   0.54242   0.16182   0.00000  Uiso   1.00
C21    C     0.34886   0.56462   0.16459   0.00000  Uiso   1.00
C22    C     0.38735   0.58990   0.16173   0.00000  Uiso   1.00
C23    C     0.23583   0.54678   0.14645   0.00000  Uiso   1.00
C24    C     0.20125   0.51660   0.14010   0.00000  Uiso   1.00
C32    C     0.92760   0.67714   0.00381   0.00000  Uiso   1.00
C33    C     0.89984   0.68059   0.00816   0.00000  Uiso   1.00
C34    C     0.88766   0.70574   0.00100   0.00000  Uiso   1.00
C35    C     0.66960   0.62309   0.07191   0.00000  Uiso   1.00
C36    C     0.68280   0.59840   0.07750   0.00000  Uiso   1.00
C37    C     0.64378   0.58667   0.10494   0.00000  Uiso   1.00
C38    C     0.63141   0.61122   0.09912   0.00000  Uiso   1.00
C40    C     0.69044   0.73153   0.02409   0.00000  Uiso   1.00
C41    C     0.45628   0.79861   0.12644   0.00000  Uiso   1.00
C42    C     0.46173   0.77316   0.11560   0.00000  Uiso   1.00
C43    C     0.41663   0.75809   0.12964   0.00000  Uiso   1.00
C44    C     0.40971   0.78490   0.13674   0.00000  Uiso   1.00
C45    C     0.44463   0.63451   0.14368   0.00000  Uiso   1.00
C46    C     0.42971   0.61301   0.15470   0.00000  Uiso   1.00
C47    C     0.38861   0.63989   0.15365   0.00000  Uiso   1.00
C48    C     0.40383   0.66151   0.14214   0.00000  Uiso   1.00
C50    C     0.67406   0.71124   0.03483   0.00000  Uiso   1.00
C51    C     0.63867   0.74290   0.04205   0.00000  Uiso   1.00
C53    C     0.34049   0.89326   0.19943   0.00000  Uiso   1.00
C54    C     0.36674   0.88413   0.19797   0.00000  Uiso   1.00
C55    C     0.35222   0.84027   0.18255   0.00000  Uiso   1.00
C56    C     0.32498   0.84755   0.18895   0.00000  Uiso   1.00
C57    C     0.31912   0.87470   0.19615   0.00000  Uiso   1.00
C58    C     0.45730   0.90877   0.19365   0.00000  Uiso   1.00
C59    C     0.47441   0.93092   0.19214   0.00000  Uiso   1.00
C60    C     0.49628   0.93122   0.17373   0.00000  Uiso   1.00
C61    C     0.50434   0.90756   0.16157   0.00000  Uiso   1.00
C62    C     0.48773   0.88479   0.16352   0.00000  Uiso   1.00
C63    C     0.65502   0.76286   0.02964   0.00000  Uiso   1.00
C64    C     0.55845   0.71314   0.09298   0.00000  Uiso   1.00
C65    C     0.53175   0.71713   0.10065   0.00000  Uiso   1.00
C67    C     0.53104   0.67231   0.11592   0.00000  Uiso   1.00
C68    C     0.30164   0.58327   0.16301   0.00000  Uiso   1.00
C69    C     0.27316   0.57905   0.15704   0.00000  Uiso   1.00
C70    C     0.28299   0.53107   0.15115   0.00000  Uiso   1.00
C71    C     0.31040   0.53440   0.15760   0.00000  Uiso   1.00
C73    C     0.55796   0.66801   0.10879   0.00000  Uiso   1.00
C74    C     0.64341   0.49414   0.14174   0.00000  Uiso   1.00
C75    C     0.62919   0.47082   0.15086   0.00000  Uiso   1.00
C76    C     0.64112   0.44461   0.15006   0.00000  Uiso   1.00
C77    C     0.66956   0.44338   0.14530   0.00000  Uiso   1.00
C78    C     0.68393   0.46602   0.13693   0.00000  Uiso   1.00
C83    C     0.16619   0.48229   0.13814   0.00000  Uiso   1.00
C84    C     0.15856   0.45593   0.13343   0.00000  Uiso   1.00
C85    C     0.17738   0.43631   0.12816   0.00000  Uiso   1.00
C86    C     0.20534   0.44362   0.12645   0.00000  Uiso   1.00
C87    C     0.21364   0.46985   0.13318   0.00000  Uiso   1.00
C88    C     0.66741   0.85308   0.00298   0.00000  Uiso   1.00
C89    C     0.65685   0.87974   0.00024   0.00000  Uiso   1.00
C90    C     0.44961   0.49705   0.16123   0.00000  Uiso   1.00
C91    C     0.43314   0.52062   0.16087   0.00000  Uiso   1.00
C92    C     0.39226   0.49295   0.16403   0.00000  Uiso   1.00
C93    C     0.40807   0.46966   0.16318   0.00000  Uiso   1.00
C94    C     0.43641   0.47168   0.16235   0.00000  Uiso   1.00
H1     H     0.63255   0.57380   0.11672   0.00000  Uiso   1.00
H2     H     0.33717   0.91403   0.20515   0.00000  Uiso   1.00
H4     H     0.38256   0.89964   0.19877   0.00000  Uiso   1.00
H5     H     0.60949   0.61354   0.10342   0.00000  Uiso   1.00
H6     H     0.35777   0.82106   0.17243   0.00000  Uiso   1.00
H7     H     0.31013   0.83162   0.18469   0.00000  Uiso   1.00
H8     H     0.64708   0.78260   0.02715   0.00000  Uiso   1.00
H9     H     0.44040   0.90971   0.20778   0.00000  Uiso   1.00
H10    H     0.46886   0.94846   0.20538   0.00000  Uiso   1.00
H12    H     0.50603   0.95035   0.17119   0.00000  Uiso   1.00
H14    H     0.52162   0.90750   0.14818   0.00000  Uiso   1.00
H15    H     0.81635   0.73972  -0.00000   0.00000  Uiso   1.00
H16    H     0.49126   0.86653   0.15046   0.00000  Uiso   1.00
H17    H     0.93767   0.65896   0.00839   0.00000  Uiso   1.00
H18    H     0.73725   0.52312   0.08185   0.00000  Uiso   1.00
H20    H     0.47273   0.81406   0.12681   0.00000  Uiso   1.00
H21    H     0.56699   0.73064   0.08194   0.00000  Uiso   1.00
H23    H     0.52109   0.73498   0.09567   0.00000  Uiso   1.00
H24    H     0.48233   0.76941   0.11085   0.00000  Uiso   1.00
H26    H     0.51987   0.65499   0.12507   0.00000  Uiso   1.00
H27    H     0.88783   0.66382   0.01562   0.00000  Uiso   1.00
H28    H     0.30924   0.60285   0.16921   0.00000  Uiso   1.00
H29    H     0.40394   0.74271   0.13696   0.00000  Uiso   1.00
H30    H     0.25983   0.59565   0.15807   0.00000  Uiso   1.00
H32    H     0.27630   0.50997   0.14840   0.00000  Uiso   1.00
H33    H     0.38895   0.79202   0.14358   0.00000  Uiso   1.00
H34    H     0.32471   0.51823   0.15475   0.00000  Uiso   1.00
H35    H     0.17664   0.57670   0.14737   0.00000  Uiso   1.00
H37    H     0.86540   0.70989   0.00559   0.00000  Uiso   1.00
H38    H     0.56835   0.64937   0.11024   0.00000  Uiso   1.00
H39    H     0.46735   0.63164   0.14570   0.00000  Uiso   1.00
H40    H     0.63308   0.51402   0.14119   0.00000  Uiso   1.00
H41    H     0.60765   0.47461   0.15582   0.00000  Uiso   1.00
H42    H     0.44000   0.59390   0.15914   0.00000  Uiso   1.00
H43    H     0.63090   0.42746   0.16066   0.00000  Uiso   1.00
H44    H     0.68145   0.42285   0.14623   0.00000  Uiso   1.00
H45    H     0.70558   0.46447   0.13194   0.00000  Uiso   1.00
H46    H     0.36691   0.64173   0.15545   0.00000  Uiso   1.00
H48    H     0.67934   0.63728   0.05724   0.00000  Uiso   1.00
H50    H     0.39332   0.68227   0.14127   0.00000  Uiso   1.00
H53    H     0.71127   0.72766   0.01743   0.00000  Uiso   1.00
H54    H     0.15158   0.49847   0.14291   0.00000  Uiso   1.00
H55    H     0.13689   0.45022   0.13716   0.00000  Uiso   1.00
H56    H     0.70159   0.59547   0.06938   0.00000  Uiso   1.00
H57    H     0.17136   0.41605   0.12168   0.00000  Uiso   1.00
H58    H     0.21845   0.42647   0.12118   0.00000  Uiso   1.00
H60    H     0.23476   0.47460   0.13179   0.00000  Uiso   1.00
H62    H     0.68264   0.69103   0.03918   0.00000  Uiso   1.00
H63    H     0.65518   0.83836   0.01311   0.00000  Uiso   1.00
H65    H     0.76728   0.74579   0.00664   0.00000  Uiso   1.00
H66    H     0.44972   0.45390   0.16201   0.00000  Uiso   1.00
H67    H     0.47029   0.50049   0.15933   0.00000  Uiso   1.00
H68    H     0.44215   0.53969   0.15980   0.00000  Uiso   1.00
H69    H     0.37095   0.49438   0.16883   0.00000  Uiso   1.00
H71    H     0.39842   0.44983   0.16230   0.00000  Uiso   1.00
H72    H     0.61868   0.74856   0.04937   0.00000  Uiso   1.00
H73    H     0.63723   0.88260   0.01216   0.00000  Uiso   1.00
H77    H     0.29887   0.88026   0.19990   0.00000  Uiso   1.00
C97    C     0.37265   0.85854   0.18709   0.00000  Uiso   1.00
C98    C     0.40174   0.61448   0.15750   0.00000  Uiso   1.00
C99    C     0.32034   0.56123   0.16279   0.00000  Uiso   1.00
C101   C     0.19384   0.48965   0.13726   0.00000  Uiso   1.00
C102   C     0.43037   0.80358   0.13721   0.00000  Uiso   1.00
C103   C     0.67054   0.49171   0.13305   0.00000  Uiso   1.00
C104   C     0.57215   0.68805   0.09537   0.00000  Uiso   1.00
C105   C     0.46293   0.88581   0.17789   0.00000  Uiso   1.00
C106   C     0.68186   0.75759   0.02313   0.00000  Uiso   1.00
C107   C     0.64821   0.71588   0.04515   0.00000  Uiso   1.00
C111   C     0.40524   0.51860   0.16305   0.00000  Uiso   1.00
C112   C     0.66984   0.57945   0.09426   0.00000  Uiso   1.00
C113   C     0.51775   0.69672   0.11201   0.00000  Uiso   1.00
C114   C     0.43209   0.65955   0.13695   0.00000  Uiso   1.00
C115   C     0.26386   0.55279   0.15100   0.00000  Uiso   1.00
C117   C     0.64444   0.62966   0.08327   0.00000  Uiso   1.00
C121   C     0.44245   0.75254   0.12072   0.00000  Uiso   1.00
C125   C     0.19263   0.56095   0.14673   0.00000  Uiso   1.00
C128   C     0.71787   0.52812   0.09077   0.00000  Uiso   1.00
H113   H     0.76377   0.26512   0.00019   0.00000  Uiso   1.00
N70    N     0.95009   0.89404   0.08258   0.00000  Uiso   1.00
N71    N     0.93708   0.93704   0.09436   0.00000  Uiso   1.00
N72    N     0.98163   0.92450   0.09614   0.00000  Uiso   1.00
H151   H     0.92718   0.98501   0.11163   0.00000  Uiso   1.00
H179   H     0.96751   0.85071   0.06764   0.00000  Uiso   1.00
H188   H     0.91500   0.86498   0.07051   0.00000  Uiso   1.00
H189   H     0.87045   0.84414   0.08025   0.00000  Uiso   1.00
H190   H     0.83393   0.87235   0.10176   0.00000  Uiso   1.00
H191   H     0.84045   0.92269   0.09902   0.00000  Uiso   1.00
H192   H     0.88564   0.94346   0.08817   0.00000  Uiso   1.00
C266   C     0.93213   0.91216   0.08836   0.00000  Uiso   1.00
C268   C     0.96239   0.94339   0.09963   0.00000  Uiso   1.00
C272   C     0.97550   0.90015   0.08660   0.00000  Uiso   1.00
C283   C     0.98872   0.85367   0.07144   0.00000  Uiso   1.00
C300   C     0.89953   0.87704   0.07783   0.00000  Uiso   1.00
C302   C     0.87334   0.86489   0.08287   0.00000  Uiso   1.00
C303   C     0.85282   0.88168   0.09329   0.00000  Uiso   1.00
C305   C     0.85700   0.90986   0.09501   0.00000  Uiso   1.00
C307   C     0.88219   0.92109   0.08902   0.00000  Uiso   1.00
C312   C     0.94776   0.98942   0.11166   0.00000  Uiso   1.00
C313   C     0.99476   0.97508   0.11668   0.00000  Uiso   1.00
C332   C     0.99598   0.87972   0.08216   0.00000  Uiso   1.00
C337   C     0.90495   0.90422   0.08488   0.00000  Uiso   1.00
C339   C     0.96789   0.96943   0.10837   0.00000  Uiso   1.00
N94    N     0.57709   0.84307   0.08280   0.00000  Uiso   1.00
N95    N     0.54776   0.80727   0.09230   0.00000  Uiso   1.00
N96    N     0.59280   0.79781   0.08499   0.00000  Uiso   1.00
N97    N     0.46697   0.93014   0.10466   0.00000  Uiso   1.00
N98    N     0.43722   0.89399   0.10620   0.00000  Uiso   1.00
N99    N     0.42111   0.93825   0.11184   0.00000  Uiso   1.00
N103   N     0.70310   0.88597   0.05105   0.00000  Uiso   1.00
N104   N     0.74915   0.87712   0.04102   0.00000  Uiso   1.00
N105   N     0.72150   0.84304   0.05669   0.00000  Uiso   1.00
N106   N     0.86123   0.79704   0.03870   0.00000  Uiso   1.00
N107   N     0.88477   0.75954   0.05175   0.00000  Uiso   1.00
N108   N     0.83906   0.76125   0.06018   0.00000  Uiso   1.00
N118   N     0.30728   0.84429   0.12180   0.00000  Uiso   1.00
N119   N     0.26149   0.85067   0.12895   0.00000  Uiso   1.00
N120   N     0.28840   0.88842   0.12230   0.00000  Uiso   1.00
C340   C     0.59649   0.82437   0.08200   0.00000  Uiso   1.00
C344   C     0.72753   0.89384   0.04276   0.00000  Uiso   1.00
C345   C     0.74508   0.85144   0.04870   0.00000  Uiso   1.00
C346   C     0.70071   0.85954   0.05570   0.00000  Uiso   1.00
C347   C     0.88490   0.78370   0.04056   0.00000  Uiso   1.00
C348   C     0.86259   0.74782   0.06069   0.00000  Uiso   1.00
C349   C     0.83920   0.78522   0.04867   0.00000  Uiso   1.00
C353   C     0.46184   0.90454   0.10364   0.00000  Uiso   1.00
C355   C     0.41794   0.91089   0.11124   0.00000  Uiso   1.00
C357   C     0.55186   0.83400   0.08779   0.00000  Uiso   1.00
C359   C     0.44662   0.94684   0.11009   0.00000  Uiso   1.00
C361   C     0.30985   0.87115   0.12107   0.00000  Uiso   1.00
C365   C     0.56759   0.79020   0.09177   0.00000  Uiso   1.00
C368   C     0.28254   0.83453   0.12658   0.00000  Uiso   1.00
C369   C     0.26443   0.87677   0.12539   0.00000  Uiso   1.00
H202   H     0.45987   0.85060   0.09670   0.00000  Uiso   1.00
H204   H     0.77648   0.96664   0.01354   0.00000  Uiso   1.00
H205   H     0.77563   0.92233   0.02967   0.00000  Uiso   1.00
H206   H     0.68722   0.92998   0.04243   0.00000  Uiso   1.00
H207   H     0.69212   0.97578   0.02901   0.00000  Uiso   1.00
H217   H     0.50039   0.81993   0.08430   0.00000  Uiso   1.00
H219   H     0.74749   0.79702   0.06569   0.00000  Uiso   1.00
H225   H     0.55997   0.76836   0.09567   0.00000  Uiso   1.00
H226   H     0.55294   0.88951   0.08962   0.00000  Uiso   1.00
H227   H     0.41009   0.98391   0.12385   0.00000  Uiso   1.00
H228   H     0.51238   0.92014   0.09871   0.00000  Uiso   1.00
H230   H     0.32675   0.92376   0.11147   0.00000  Uiso   1.00
H231   H     0.37198   0.93999   0.10780   0.00000  Uiso   1.00
H232   H     0.40312   0.85795   0.11299   0.00000  Uiso   1.00
H233   H     0.35389   0.83938   0.11833   0.00000  Uiso   1.00
H243   H     0.60841   0.87439   0.07005   0.00000  Uiso   1.00
H244   H     0.79756   0.86515   0.04049   0.00000  Uiso   1.00
H245   H     0.27891   0.81370   0.12236   0.00000  Uiso   1.00
H246   H     0.24708   0.88985   0.12981   0.00000  Uiso   1.00
H247   H     0.65742   0.89094   0.06845   0.00000  Uiso   1.00
H248   H     0.49606   0.97266   0.10154   0.00000  Uiso   1.00
H253   H     0.82020   0.72178   0.07608   0.00000  Uiso   1.00
H254   H     0.82023   0.66993   0.09515   0.00000  Uiso   1.00
H255   H     0.86537   0.64790   0.09900   0.00000  Uiso   1.00
H256   H     0.90718   0.66543   0.07505   0.00000  Uiso   1.00
H257   H     0.90321   0.71466   0.05634   0.00000  Uiso   1.00
H258   H     0.83604   0.83772   0.04048   0.00000  Uiso   1.00
H260   H     0.68564   0.80804   0.06321   0.00000  Uiso   1.00
H261   H     0.78794   0.76954   0.06178   0.00000  Uiso   1.00
H264   H     0.63845   0.79510   0.08265   0.00000  Uiso   1.00
H265   H     0.97903   0.82901   0.01356   0.00000  Uiso   1.00
H266   H     0.93475   0.85409   0.00545   0.00000  Uiso   1.00
H267   H     0.89142   0.83498   0.02206   0.00000  Uiso   1.00
H268   H     0.93339   0.75990   0.04244   0.00000  Uiso   1.00
H269   H     0.97712   0.78197   0.02901   0.00000  Uiso   1.00
C373   C     0.35892   0.86140   0.11565   0.00000  Uiso   1.00
C376   C     0.75683   0.95939   0.01837   0.00000  Uiso   1.00
C388   C     0.75679   0.93303   0.02812   0.00000  Uiso   1.00
C390   C     0.53283   0.88091   0.08818   0.00000  Uiso   1.00
C393   C     0.65246   0.86890   0.06672   0.00000  Uiso   1.00
C394   C     0.81637   0.82770   0.04285   0.00000  Uiso   1.00
C396   C     0.50266   0.84174   0.08761   0.00000  Uiso   1.00
C404   C     0.83704   0.70734   0.07549   0.00000  Uiso   1.00
C405   C     0.83829   0.68103   0.08659   0.00000  Uiso   1.00
C406   C     0.43087   0.99246   0.11907   0.00000  Uiso   1.00
C407   C     0.86394   0.66653   0.08716   0.00000  Uiso   1.00
C408   C     0.88878   0.67756   0.07704   0.00000  Uiso   1.00
C409   C     0.88537   0.70484   0.06554   0.00000  Uiso   1.00
C411   C     0.70680   0.93674   0.03444   0.00000  Uiso   1.00
C413   C     0.66888   0.82268   0.06644   0.00000  Uiso   1.00
C414   C     0.78902   0.78999   0.05576   0.00000  Uiso   1.00
C415   C     0.51056   0.89804   0.09351   0.00000  Uiso   1.00
C417   C     0.64344   0.81456   0.07564   0.00000  Uiso   1.00
C418   C     0.47875   0.98385   0.10870   0.00000  Uiso   1.00
C419   C     0.79314   0.84439   0.04457   0.00000  Uiso   1.00
C420   C     0.76557   0.80651   0.05797   0.00000  Uiso   1.00
C421   C     0.48011   0.85966   0.09362   0.00000  Uiso   1.00
C422   C     0.93385   0.83328   0.01546   0.00000  Uiso   1.00
C423   C     0.62553   0.86013   0.07177   0.00000  Uiso   1.00
C424   C     0.90934   0.82219   0.02442   0.00000  Uiso   1.00
C425   C     0.93399   0.78014   0.03503   0.00000  Uiso   1.00
C426   C     0.34174   0.90849   0.11349   0.00000  Uiso   1.00
C427   C     0.95800   0.79281   0.02654   0.00000  Uiso   1.00
C429   C     0.95842   0.81999   0.01809   0.00000  Uiso   1.00
C430   C     0.36853   0.91794   0.11250   0.00000  Uiso   1.00
C432   C     0.70975   0.96327   0.02585   0.00000  Uiso   1.00
C435   C     0.38655   0.87144   0.11340   0.00000  Uiso   1.00
C438   C     0.76730   0.83479   0.05094   0.00000  Uiso   1.00
C439   C     0.62240   0.83302   0.07611   0.00000  Uiso   1.00
C442   C     0.73136   0.92117   0.03582   0.00000  Uiso   1.00
C444   C     0.33642   0.88080   0.11603   0.00000  Uiso   1.00
C445   C     0.48413   0.88716   0.09693   0.00000  Uiso   1.00
C446   C     0.90947   0.79507   0.03235   0.00000  Uiso   1.00
C447   C     0.86135   0.71958   0.06577   0.00000  Uiso   1.00
C448   C     0.67447   0.85096   0.06406   0.00000  Uiso   1.00
C449   C     0.73292   0.97511   0.01586   0.00000  Uiso   1.00
C454   C     0.45272   0.97443   0.11201   0.00000  Uiso   1.00
C456   C     0.39102   0.89953   0.11234   0.00000  Uiso   1.00
C458   C     0.52939   0.85217   0.08529   0.00000  Uiso   1.00
C459   C     0.81522   0.80017   0.04720   0.00000  Uiso   1.00
N148   N     0.94563   0.97986   0.03729   0.00000  Uiso   1.00
N149   N     0.90025   0.97891   0.04239   0.00000  Uiso   1.00
N150   N     0.92247   0.94217   0.02356   0.00000  Uiso   1.00
C473   C     0.92364   0.99120   0.04644   0.00000  Uiso   1.00
C474   C     0.94511   0.95490   0.02800   0.00000  Uiso   1.00
C502   C     0.99591   0.95233   0.02219   0.00000  Uiso   1.00
C503   C     0.96696   0.91364   0.01491   0.00000  Uiso   1.00
C504   C     0.98990   0.89726   0.00903   0.00000  Uiso   1.00
H279   H     0.99950   0.97327   0.03043   0.00000  Uiso   1.00
H281   H     0.94832   0.90263   0.01332   0.00000  Uiso   1.00
H282   H     0.98468   0.87577   0.00398   0.00000  Uiso   1.00
H286   H     0.88279   0.93867   0.03430   0.00000  Uiso   1.00
C534   C     0.96947   0.94061   0.02198   0.00000  Uiso   1.00
C550   C     0.90063   0.95208   0.03424   0.00000  Uiso   1.00
N293   N     0.59561   0.91355   0.19248   0.00000  Uiso   1.00
N294   N     0.63941   0.92935   0.18659   0.00000  Uiso   1.00
N307   N     0.31378   0.95878   0.16050   0.00000  Uiso   1.00
N308   N     0.27009   0.94565   0.15195   0.00000  Uiso   1.00
N309   N     0.28042   0.99184   0.15481   0.00000  Uiso   1.00
C927   C     0.61251   0.93358   0.18564   0.00000  Uiso   1.00
C928   C     0.64849   0.90351   0.19105   0.00000  Uiso   1.00
C938   C     0.30624   0.98474   0.15930   0.00000  Uiso   1.00
C942   C     0.57528   0.96556   0.18077   0.00000  Uiso   1.00
C943   C     0.56555   0.99252   0.17952   0.00000  Uiso   1.00
C945   C     0.62178   0.98056   0.17278   0.00000  Uiso   1.00
C973   C     0.69561   0.91677   0.18391   0.00000  Uiso   1.00
C974   C     0.72227   0.90952   0.18063   0.00000  Uiso   1.00
C994   C     0.35488   0.99864   0.16919   0.00000  Uiso   1.00
H536   H     0.56043   0.95034   0.18544   0.00000  Uiso   1.00
H546   H     0.54320   0.99264   0.18098   0.00000  Uiso   1.00
H550   H     0.55060   0.89557   0.19635   0.00000  Uiso   1.00
H556   H     0.68995   0.93503   0.17583   0.00000  Uiso   1.00
H557   H     0.73559   0.92463   0.17166   0.00000  Uiso   1.00
H569   H     0.81593   0.89720   0.16321   0.00000  Uiso   1.00
H570   H     0.64269   0.97755   0.16963   0.00000  Uiso   1.00
H593   H     0.36354   0.97816   0.17364   0.00000  Uiso   1.00
H597   H     0.30086   0.91903   0.16063   0.00000  Uiso   1.00
H599   H     0.24127   0.97564   0.15249   0.00000  Uiso   1.00
C1021  C     0.60352   0.96018   0.18008   0.00000  Uiso   1.00
C1024  C     0.67576   0.89818   0.19250   0.00000  Uiso   1.00
C1037  C     0.26253   0.97142   0.15274   0.00000  Uiso   1.00
C1045  C     0.29588   0.93990   0.15625   0.00000  Uiso   1.00
N406   N     0.77969   0.78084   0.13044   0.00000  Uiso   1.00
N407   N     0.80012   0.73832   0.13119   0.00000  Uiso   1.00
N408   N     0.75628   0.74293   0.14502   0.00000  Uiso   1.00
N409   N     0.79138   0.59701   0.13881   0.00000  Uiso   1.00
N410   N     0.76426   0.55824   0.14187   0.00000  Uiso   1.00
N411   N     0.74489   0.60211   0.14575   0.00000  Uiso   1.00
N412   N     0.65365   0.84730   0.14223   0.00000  Uiso   1.00
N413   N     0.60565   0.83994   0.14469   0.00000  Uiso   1.00
N414   N     0.63553   0.80650   0.15750   0.00000  Uiso   1.00
N415   N     0.95467   0.82513   0.13766   0.00000  Uiso   1.00
N416   N     0.92598   0.79246   0.11774   0.00000  Uiso   1.00
N417   N     0.90859   0.83135   0.13770   0.00000  Uiso   1.00
N418   N     0.92088   0.46719   0.11777   0.00000  Uiso   1.00
N419   N     0.87540   0.47142   0.12937   0.00000  Uiso   1.00
N420   N     0.90318   0.50889   0.12782   0.00000  Uiso   1.00
N424   N     0.92724   0.96283   0.18425   0.00000  Uiso   1.00
N425   N     0.97361   0.95795   0.17622   0.00000  Uiso   1.00
N427   N     0.57400   0.96755   0.10266   0.00000  Uiso   1.00
N428   N     0.61943   0.97556   0.08911   0.00000  Uiso   1.00
N433   N     0.49392   0.76472   0.18338   0.00000  Uiso   1.00
N434   N     0.51990   0.72480   0.18466   0.00000  Uiso   1.00
N435   N     0.47357   0.72223   0.18905   0.00000  Uiso   1.00
C1330  C     0.77690   0.72703   0.13873   0.00000  Uiso   1.00
C1331  C     0.78911   0.57001   0.13867   0.00000  Uiso   1.00
C1332  C     0.80118   0.76458   0.12702   0.00000  Uiso   1.00
C1333  C     0.75801   0.76902   0.14193   0.00000  Uiso   1.00
C1334  C     0.76973   0.61286   0.14191   0.00000  Uiso   1.00
C1335  C     0.62732   0.85613   0.13960   0.00000  Uiso   1.00
C1336  C     0.61046   0.81646   0.15538   0.00000  Uiso   1.00
C1337  C     0.65601   0.82115   0.15046   0.00000  Uiso   1.00
C1338  C     0.95023   0.80203   0.12431   0.00000  Uiso   1.00
C1339  C     0.90464   0.80738   0.12662   0.00000  Uiso   1.00
C1340  C     0.93250   0.83991   0.14397   0.00000  Uiso   1.00
C1341  C     0.89671   0.45637   0.12275   0.00000  Uiso   1.00
C1342  C     0.87830   0.49857   0.12930   0.00000  Uiso   1.00
C1343  C     0.92405   0.49308   0.12076   0.00000  Uiso   1.00
C1346  C     0.94816   0.94807   0.17684   0.00000  Uiso   1.00
C1347  C     0.60061   0.96114   0.10124   0.00000  Uiso   1.00
C1350  C     0.51766   0.75102   0.18197   0.00000  Uiso   1.00
C1352  C     0.83749   0.56247   0.13506   0.00000  Uiso   1.00
C1353  C     0.85933   0.54468   0.13147   0.00000  Uiso   1.00
C1354  C     0.83140   0.50647   0.14212   0.00000  Uiso   1.00
C1355  C     0.80934   0.52414   0.14306   0.00000  Uiso   1.00
C1356  C     0.68748   0.78218   0.15951   0.00000  Uiso   1.00
C1357  C     0.59412   0.89164   0.13274   0.00000  Uiso   1.00
C1358  C     0.58817   0.91770   0.12309   0.00000  Uiso   1.00
C1359  C     0.63536   0.92737   0.11337   0.00000  Uiso   1.00
C1360  C     0.64271   0.90105   0.12507   0.00000  Uiso   1.00
C1361  C     0.99888   0.49672   0.10723   0.00000  Uiso   1.00
C1362  C     0.97289   0.48735   0.11376   0.00000  Uiso   1.00
C1363  C     0.95669   0.53131   0.12650   0.00000  Uiso   1.00
C1364  C     0.98258   0.54147   0.11870   0.00000  Uiso   1.00
C1365  C     0.53893   0.79425   0.16591   0.00000  Uiso   1.00
C1366  C     0.56178   0.81053   0.16149   0.00000  Uiso   1.00
C1367  C     0.59015   0.77260   0.16895   0.00000  Uiso   1.00
C1368  C     0.56671   0.75613   0.17577   0.00000  Uiso   1.00
C1369  C     0.72975   0.81244   0.14070   0.00000  Uiso   1.00
C1370  C     0.75016   0.65746   0.15131   0.00000  Uiso   1.00
C1371  C     0.99900   0.79312   0.12259   0.00000  Uiso   1.00
C1373  C     0.98669   0.74978   0.08647   0.00000  Uiso   1.00
C1374  C     0.96535   0.76461   0.09981   0.00000  Uiso   1.00
C1379  C     0.91439   0.41089   0.10972   0.00000  Uiso   1.00
C1380  C     0.91231   0.38395   0.10436   0.00000  Uiso   1.00
C1381  C     0.88721   0.37306   0.10062   0.00000  Uiso   1.00
C1382  C     0.86439   0.38884   0.10809   0.00000  Uiso   1.00
C1383  C     0.86660   0.41618   0.11462   0.00000  Uiso   1.00
C1384  C     0.91414   0.88113   0.16091   0.00000  Uiso   1.00
C1385  C     0.91894   0.90659   0.17198   0.00000  Uiso   1.00
C1386  C     0.96732   0.90165   0.16968   0.00000  Uiso   1.00
C1387  C     0.96342   0.87491   0.16271   0.00000  Uiso   1.00
C1388  C     0.75074   0.68679   0.14930   0.00000  Uiso   1.00
C1389  C     0.79942   0.68280   0.14382   0.00000  Uiso   1.00
C1390  C     0.85517   0.81334   0.12933   0.00000  Uiso   1.00
C1391  C     0.79866   0.65430   0.14588   0.00000  Uiso   1.00
C1392  C     0.87485   0.76984   0.11768   0.00000  Uiso   1.00
C1393  C     0.71292   0.77097   0.15912   0.00000  Uiso   1.00
C1394  C     0.84883   0.75866   0.11636   0.00000  Uiso   1.00
C1395  C     0.70436   0.82466   0.14213   0.00000  Uiso   1.00
C1396  C     0.82958   0.80245   0.12406   0.00000  Uiso   1.00
H776   H     0.72541   0.56596   0.15353   0.00000  Uiso   1.00
H777   H     0.73175   0.64930   0.16091   0.00000  Uiso   1.00
H778   H     0.56762   0.92529   0.12423   0.00000  Uiso   1.00
H781   H     0.87755   0.55366   0.12454   0.00000  Uiso   1.00
H782   H     0.98257   0.73447   0.07207   0.00000  Uiso   1.00
H783   H     0.65205   0.94074   0.10620   0.00000  Uiso   1.00
H784   H     0.94391   0.76060   0.09476   0.00000  Uiso   1.00
H785   H     0.78967   0.51734   0.14879   0.00000  Uiso   1.00
H787   H     0.66217   0.89537   0.12204   0.00000  Uiso   1.00
H792   H     0.93557   0.42050   0.11329   0.00000  Uiso   1.00
H793   H     0.71570   0.74827   0.16312   0.00000  Uiso   1.00
H794   H     0.93035   0.37157   0.10144   0.00000  Uiso   1.00
H795   H     0.96736   0.46719   0.11046   0.00000  Uiso   1.00
H796   H     0.88200   0.35200   0.09514   0.00000  Uiso   1.00
H797   H     0.84581   0.37816   0.10974   0.00000  Uiso   1.00
H798   H     0.84884   0.42972   0.11861   0.00000  Uiso   1.00
H799   H     0.94237   0.54565   0.13334   0.00000  Uiso   1.00
H800   H     0.89376   0.87238   0.15610   0.00000  Uiso   1.00
H801   H     0.90139   0.91801   0.17568   0.00000  Uiso   1.00
H802   H     0.98737   0.56223   0.12573   0.00000  Uiso   1.00
H803   H     0.98824   0.90915   0.16812   0.00000  Uiso   1.00
H804   H     0.98005   0.86139   0.15946   0.00000  Uiso   1.00
H806   H     0.70199   0.84548   0.13539   0.00000  Uiso   1.00
H807   H     0.74750   0.82145   0.13002   0.00000  Uiso   1.00
H808   H     0.73154   0.69866   0.15249   0.00000  Uiso   1.00
H809   H     0.99686   0.99301   0.17841   0.00000  Uiso   1.00
H810   H     0.54427   0.99555   0.09299   0.00000  Uiso   1.00
H811   H     0.52016   0.80383   0.16477   0.00000  Uiso   1.00
H812   H     0.67097   0.76827   0.16397   0.00000  Uiso   1.00
H813   H     0.81836   0.69259   0.14226   0.00000  Uiso   1.00
H815   H     0.55680   0.83178   0.15621   0.00000  Uiso   1.00
H816   H     0.81603   0.64088   0.14454   0.00000  Uiso   1.00
H818   H     0.85801   0.83344   0.13431   0.00000  Uiso   1.00
H819   H     0.45353   0.76101   0.18603   0.00000  Uiso   1.00
H820   H     0.89288   0.75674   0.11486   0.00000  Uiso   1.00
H821   H     0.61105   0.76438   0.17175   0.00000  Uiso   1.00
H822   H     0.49881   0.68844   0.19170   0.00000  Uiso   1.00
H823   H     0.84629   0.73711   0.11553   0.00000  Uiso   1.00
H825   H     0.83841   0.58524   0.13342   0.00000  Uiso   1.00
H826   H     0.56873   0.73626   0.18584   0.00000  Uiso   1.00
H828   H     0.81180   0.81397   0.12596   0.00000  Uiso   1.00
H833   H     0.57635   0.87924   0.13773   0.00000  Uiso   1.00
H834   H     0.98758   0.65504   0.01138   0.00000  Uiso   1.00
H835   H     0.83162   0.48402   0.14761   0.00000  Uiso   1.00
C1402  C     0.73565   0.78547   0.14852   0.00000  Uiso   1.00
C1403  C     0.77309   0.64168   0.14652   0.00000  Uiso   1.00
C1405  C     0.58759   0.79996   0.16185   0.00000  Uiso   1.00
C1406  C     0.81156   0.55211   0.13744   0.00000  Uiso   1.00
C1407  C     0.93667   0.86553   0.15621   0.00000  Uiso   1.00
C1408  C     0.95061   0.50430   0.12119   0.00000  Uiso   1.00
C1410  C     0.87822   0.79713   0.12373   0.00000  Uiso   1.00
C1412  C     0.82617   0.77517   0.12015   0.00000  Uiso   1.00
C1413  C     0.89228   0.42836   0.11678   0.00000  Uiso   1.00
C1414  C     0.77610   0.69890   0.14350   0.00000  Uiso   1.00
C1415  C     0.60834   0.93539   0.11321   0.00000  Uiso   1.00
C1416  C     0.54084   0.76569   0.17336   0.00000  Uiso   1.00
C1417  C     0.97277   0.78692   0.11544   0.00000  Uiso   1.00
C1418  C     0.85758   0.51599   0.13439   0.00000  Uiso   1.00
C1420  C     0.68279   0.80960   0.15214   0.00000  Uiso   1.00
C1421  C     0.94518   0.92016   0.17204   0.00000  Uiso   1.00
C1422  C     0.62156   0.88274   0.13208   0.00000  Uiso   1.00
C1424  C     0.97524   0.98446   0.17776   0.00000  Uiso   1.00
C1425  C     0.49843   0.71021   0.18963   0.00000  Uiso   1.00
C1426  C     0.74282   0.57560   0.14612   0.00000  Uiso   1.00
C1429  C     0.60982   0.99772   0.07781   0.00000  Uiso   1.00
C1430  C     0.92923   0.98937   0.18833   0.00000  Uiso   1.00
C1431  C     0.47246   0.74985   0.18620   0.00000  Uiso   1.00
C1432  C     0.56627   0.98991   0.09101   0.00000  Uiso   1.00
N487   N     0.38624   0.69530   0.00518   0.00000  Uiso   1.00
N493   N     0.39632   0.83701   0.03859   0.00000  Uiso   1.00
N494   N     0.35269   0.82162   0.05136   0.00000  Uiso   1.00
N495   N     0.36193   0.86685   0.05187   0.00000  Uiso   1.00
C1560  C     0.40406   0.71460   0.00756   0.00000  Uiso   1.00
C1564  C     0.37799   0.81778   0.04159   0.00000  Uiso   1.00
C1565  C     0.38777   0.86194   0.04329   0.00000  Uiso   1.00
C1591  C     0.41900   0.75936   0.02352   0.00000  Uiso   1.00
C1592  C     0.41245   0.78683   0.02814   0.00000  Uiso   1.00
C1593  C     0.36903   0.77013   0.04192   0.00000  Uiso   1.00
C1594  C     0.37454   0.74382   0.03513   0.00000  Uiso   1.00
C1608  C     0.41332   0.93327   0.04081   0.00000  Uiso   1.00
C1609  C     0.39666   0.91088   0.04538   0.00000  Uiso   1.00
C1610  C     0.43271   0.87955   0.03338   0.00000  Uiso   1.00
C1611  C     0.44928   0.90181   0.02939   0.00000  Uiso   1.00
C1612  C     0.44006   0.92829   0.03421   0.00000  Uiso   1.00
H913   H     0.43988   0.75702   0.01531   0.00000  Uiso   1.00
H914   H     0.42803   0.80163   0.02308   0.00000  Uiso   1.00
H916   H     0.34752   0.77544   0.04688   0.00000  Uiso   1.00
H917   H     0.35852   0.72925   0.03844   0.00000  Uiso   1.00
H925   H     0.30978   0.63743   0.00189   0.00000  Uiso   1.00
H926   H     0.33994   0.67535   0.00255   0.00000  Uiso   1.00
H943   H     0.32666   0.84905   0.06641   0.00000  Uiso   1.00
H945   H     0.45230   0.94615   0.03150   0.00000  Uiso   1.00
H947   H     0.40844   0.95380   0.04695   0.00000  Uiso   1.00
H948   H     0.37456   0.91303   0.04860   0.00000  Uiso   1.00
H950   H     0.44070   0.85834   0.03155   0.00000  Uiso   1.00
H952   H     0.47044   0.89987   0.02411   0.00000  Uiso   1.00
C1619  C     0.38663   0.79124   0.03675   0.00000  Uiso   1.00
C1624  C     0.40544   0.88400   0.04142   0.00000  Uiso   1.00
C1632  C     0.39970   0.73867   0.02229   0.00000  Uiso   1.00
C1637  C     0.34439   0.84615   0.05498   0.00000  Uiso   1.00
N122   N     0.04349   0.03142   0.97071   0.00000  Uiso   1.00
N123   N     0.02157   0.07089   0.97999   0.00000  Uiso   1.00
C362   C     0.04430   0.05756   0.97458   0.00000  Uiso   1.00
C370   C     0.02136   0.01785   0.97260   0.00000  Uiso   1.00
H272   H     0.04889   0.10600   0.99661   0.00000  Uiso   1.00
C433   C     0.06796   0.09779   0.98912   0.00000  Uiso   1.00
C457   C     0.06887   0.07163   0.97767   0.00000  Uiso   1.00
N130   N     0.23379   0.07983   0.99497   0.00000  Uiso   1.00
N132   N     0.27380   0.06220   0.97919   0.00000  Uiso   1.00
N136   N     0.40933   0.05793   0.98080   0.00000  Uiso   1.00
N138   N     0.45207   0.07475   0.99157   0.00000  Uiso   1.00
C466   C     0.39781   0.07911   0.99139   0.00000  Uiso   1.00
C480   C     0.28674   0.08290   0.99147   0.00000  Uiso   1.00
C482   C     0.24725   0.06167   0.98071   0.00000  Uiso   1.00
C486   C     0.35368   0.05866   0.97775   0.00000  Uiso   1.00
C493   C     0.32652   0.06154   0.97754   0.00000  Uiso   1.00
C494   C     0.20665   0.03798   0.96656   0.00000  Uiso   1.00
C499   C     0.19525   0.01353   0.95706   0.00000  Uiso   1.00
C505   C     0.24062   0.00138   0.93881   0.00000  Uiso   1.00
C506   C     0.25200   0.02389   0.95047   0.00000  Uiso   1.00
H276   H     0.17364   0.00917   0.95692   0.00000  Uiso   1.00
H283   H     0.42916   0.01677   0.78373   0.00000  Uiso   1.00
H288   H     0.36306   0.04173   0.96697   0.00000  Uiso   1.00
H296   H     0.27438   0.02597   0.94943   0.00000  Uiso   1.00
H310   H     0.19321   0.05191   0.97778   0.00000  Uiso   1.00
H312   H     0.31482   0.04708   0.96545   0.00000  Uiso   1.00
H314   H     0.44807   0.03907   0.97331   0.00000  Uiso   1.00
C532   C     0.23496   0.04126   0.96488   0.00000  Uiso   1.00
C535   C     0.37007   0.07945   0.99210   0.00000  Uiso   1.00
C549   C     0.31359   0.08271   0.99117   0.00000  Uiso   1.00
C554   C     0.43617   0.05680   0.98134   0.00000  Uiso   1.00
N160   N     0.24310   0.16824   0.84965   0.00000  Uiso   1.00
N161   N     0.21628   0.20694   0.85244   0.00000  Uiso   1.00
N162   N     0.26190   0.21077   0.84598   0.00000  Uiso   1.00
N163   N     0.20572   0.34574   0.81993   0.00000  Uiso   1.00
N164   N     0.23191   0.38372   0.81735   0.00000  Uiso   1.00
N165   N     0.25229   0.34361   0.81729   0.00000  Uiso   1.00
N166   N     0.38967   0.15559   0.85773   0.00000  Uiso   1.00
N167   N     0.41732   0.11831   0.85911   0.00000  Uiso   1.00
N168   N     0.37350   0.11324   0.84577   0.00000  Uiso   1.00
N169   N     0.50067   0.24030   0.88659   0.00000  Uiso   1.00
N170   N     0.52382   0.20124   0.89633   0.00000  Uiso   1.00
N171   N     0.54336   0.24360   0.90330   0.00000  Uiso   1.00
N172   N     0.69419   0.14592   0.91910   0.00000  Uiso   1.00
N173   N     0.64717   0.13954   0.91436   0.00000  Uiso   1.00
N174   N     0.66673   0.18320   0.92132   0.00000  Uiso   1.00
N175   N     0.11145   0.12181   0.89941   0.00000  Uiso   1.00
N176   N     0.13506   0.08464   0.88416   0.00000  Uiso   1.00
N177   N     0.09257   0.07936   0.90494   0.00000  Uiso   1.00
N178   N     0.06415   0.45383   0.82261   0.00000  Uiso   1.00
N179   N     0.11160   0.45675   0.81748   0.00000  Uiso   1.00
N180   N     0.08887   0.41530   0.82123   0.00000  Uiso   1.00
C562   C     0.23805   0.22226   0.84786   0.00000  Uiso   1.00
C563   C     0.20913   0.37181   0.81848   0.00000  Uiso   1.00
C564   C     0.21980   0.18010   0.85433   0.00000  Uiso   1.00
C565   C     0.25352   0.36942   0.81759   0.00000  Uiso   1.00
C566   C     0.26526   0.18472   0.84794   0.00000  Uiso   1.00
C567   C     0.22845   0.33104   0.81843   0.00000  Uiso   1.00
C568   C     0.41312   0.14427   0.86371   0.00000  Uiso   1.00
C569   C     0.39779   0.10327   0.84880   0.00000  Uiso   1.00
C570   C     0.36937   0.13948   0.84940   0.00000  Uiso   1.00
C571   C     0.50151   0.21302   0.88736   0.00000  Uiso   1.00
C572   C     0.54475   0.21648   0.90328   0.00000  Uiso   1.00
C573   C     0.52182   0.25558   0.89506   0.00000  Uiso   1.00
C574   C     0.64551   0.16702   0.91752   0.00000  Uiso   1.00
C575   C     0.69107   0.17246   0.92028   0.00000  Uiso   1.00
C576   C     0.13268   0.11068   0.88679   0.00000  Uiso   1.00
C577   C     0.11406   0.06864   0.89362   0.00000  Uiso   1.00
C578   C     0.11086   0.43002   0.81733   0.00000  Uiso   1.00
C579   C     0.06594   0.42719   0.82507   0.00000  Uiso   1.00
C588   C     0.25519   0.29132   0.82153   0.00000  Uiso   1.00
C589   C     0.30724   0.42152   0.81990   0.00000  Uiso   1.00
C590   C     0.25810   0.26489   0.83214   0.00000  Uiso   1.00
C591   C     0.42683   0.06276   0.85060   0.00000  Uiso   1.00
C592   C     0.42972   0.03527   0.84546   0.00000  Uiso   1.00
C593   C     0.40804   0.02030   0.83597   0.00000  Uiso   1.00
C594   C     0.38157   0.03009   0.83688   0.00000  Uiso   1.00
C595   C     0.37866   0.05826   0.84298   0.00000  Uiso   1.00
C596   C     0.43085   0.18839   0.87782   0.00000  Uiso   1.00
C597   C     0.45239   0.20553   0.87979   0.00000  Uiso   1.00
C598   C     0.48291   0.16738   0.87887   0.00000  Uiso   1.00
C599   C     0.46192   0.14904   0.87335   0.00000  Uiso   1.00
C600   C     0.28250   0.40873   0.81530   0.00000  Uiso   1.00
C601   C     0.20979   0.26238   0.83865   0.00000  Uiso   1.00
C602   C     0.59262   0.22066   0.91701   0.00000  Uiso   1.00
C603   C     0.61743   0.20784   0.92360   0.00000  Uiso   1.00
C604   C     0.59724   0.16360   0.91505   0.00000  Uiso   1.00
C605   C     0.57272   0.17613   0.91092   0.00000  Uiso   1.00
C606   C     0.53886   0.29716   0.91339   0.00000  Uiso   1.00
C607   C     0.53599   0.32515   0.91874   0.00000  Uiso   1.00
C608   C     0.51546   0.33980   0.90830   0.00000  Uiso   1.00
C609   C     0.49664   0.32752   0.89093   0.00000  Uiso   1.00
C610   C     0.49856   0.29933   0.88503   0.00000  Uiso   1.00
C611   C     0.20590   0.28713   0.82532   0.00000  Uiso   1.00
C612   C     0.30349   0.36543   0.81724   0.00000  Uiso   1.00
C613   C     0.32907   0.37725   0.82450   0.00000  Uiso   1.00
C614   C     0.20112   0.13454   0.86101   0.00000  Uiso   1.00
C616   C     0.74142   0.18019   0.91585   0.00000  Uiso   1.00
C617   C     0.71150   0.21765   0.92264   0.00000  Uiso   1.00
C618   C     0.72883   0.23610   0.91056   0.00000  Uiso   1.00
C620   C     0.09345   0.02484   0.90700   0.00000  Uiso   1.00
C621   C     0.13594   0.02685   0.88287   0.00000  Uiso   1.00
C623   C     0.17938   0.11691   0.86758   0.00000  Uiso   1.00
C624   C     0.33083   0.40625   0.82548   0.00000  Uiso   1.00
C625   C     0.16017   0.42904   0.81213   0.00000  Uiso   1.00
C626   C     0.15112   0.15627   0.87653   0.00000  Uiso   1.00
C627   C     0.17157   0.17301   0.86655   0.00000  Uiso   1.00
C628   C     0.18488   0.41559   0.81642   0.00000  Uiso   1.00
C629   C     0.33920   0.17920   0.84903   0.00000  Uiso   1.00
C634   C     0.04183   0.38433   0.82490   0.00000  Uiso   1.00
C635   C     0.01727   0.37120   0.82050   0.00000  Uiso   1.00
C637   C     0.01608   0.42643   0.82945   0.00000  Uiso   1.00
C638   C     0.31360   0.19204   0.84618   0.00000  Uiso   1.00
C639   C     0.15736   0.37360   0.81936   0.00000  Uiso   1.00
C644   C     0.29492   0.14534   0.84295   0.00000  Uiso   1.00
C645   C     0.13381   0.38795   0.81792   0.00000  Uiso   1.00
C651   C     0.32119   0.13397   0.84052   0.00000  Uiso   1.00
H332   H     0.35020   0.41508   0.82896   0.00000  Uiso   1.00
H333   H     0.46456   0.12838   0.86896   0.00000  Uiso   1.00
H334   H     0.34634   0.36396   0.82529   0.00000  Uiso   1.00
H335   H     0.22086   0.12587   0.85550   0.00000  Uiso   1.00
H337   H     0.27688   0.25611   0.82974   0.00000  Uiso   1.00
H339   H     0.41094   0.00005   0.83026   0.00000  Uiso   1.00
H340   H     0.69055   0.22348   0.92941   0.00000  Uiso   1.00
H341   H     0.72335   0.25746   0.91227   0.00000  Uiso   1.00
H342   H     0.26533   0.41998   0.81237   0.00000  Uiso   1.00
H344   H     0.30721   0.44431   0.81901   0.00000  Uiso   1.00
H345   H     0.07732   0.03465   0.91815   0.00000  Uiso   1.00
H346   H     0.15244   0.03998   0.87450   0.00000  Uiso   1.00
H347   H     0.36523   0.01670   0.83061   0.00000  Uiso   1.00
H349   H     0.59116   0.24266   0.91613   0.00000  Uiso   1.00
H350   H     0.08548   0.49065   0.81846   0.00000  Uiso   1.00
H351   H     0.18054   0.09461   0.86873   0.00000  Uiso   1.00
H352   H     0.27270   0.30446   0.81585   0.00000  Uiso   1.00
H353   H     0.63454   0.22115   0.92669   0.00000  Uiso   1.00
H354   H     0.16371   0.45067   0.81275   0.00000  Uiso   1.00
H355   H     0.13133   0.16344   0.88065   0.00000  Uiso   1.00
H357   H     0.35824   0.06688   0.84107   0.00000  Uiso   1.00
H358   H     0.60005   0.14215   0.91107   0.00000  Uiso   1.00
H360   H     0.16740   0.19437   0.87057   0.00000  Uiso   1.00
H361   H     0.20469   0.42554   0.81910   0.00000  Uiso   1.00
H362   H     0.55608   0.16396   0.90285   0.00000  Uiso   1.00
H365   H     0.44474   0.07419   0.85669   0.00000  Uiso   1.00
H366   H     0.74142   0.31296   0.91392   0.00000  Uiso   1.00
H367   H     0.55154   0.28454   0.92460   0.00000  Uiso   1.00
H368   H     0.73765   0.35708   0.93718   0.00000  Uiso   1.00
H369   H     0.41101   0.19704   0.87574   0.00000  Uiso   1.00
H370   H     0.06019   0.37398   0.81821   0.00000  Uiso   1.00
H371   H     0.55173   0.33783   0.92982   0.00000  Uiso   1.00
H372   H     0.01479   0.34941   0.81689   0.00000  Uiso   1.00
H374   H     0.51365   0.36083   0.91647   0.00000  Uiso   1.00
H375   H     0.01466   0.44916   0.83207   0.00000  Uiso   1.00
H376   H     0.35622   0.19293   0.85271   0.00000  Uiso   1.00
H378   H     0.44789   0.22660   0.88302   0.00000  Uiso   1.00
H379   H     0.48091   0.33839   0.88108   0.00000  Uiso   1.00
H380   H     0.30878   0.21310   0.84976   0.00000  Uiso   1.00
H381   H     0.15603   0.35169   0.82042   0.00000  Uiso   1.00
H383   H     0.48327   0.28989   0.87254   0.00000  Uiso   1.00
H386   H     0.19134   0.25037   0.84292   0.00000  Uiso   1.00
H390   H     0.27627   0.13399   0.84341   0.00000  Uiso   1.00
H391   H     0.67599   0.10817   0.91611   0.00000  Uiso   1.00
H392   H     0.44930   0.02499   0.84879   0.00000  Uiso   1.00
H394   H     0.50292   0.15665   0.88084   0.00000  Uiso   1.00
H395   H     0.00824   0.24814   0.81550   0.00000  Uiso   1.00
H396   H     0.18528   0.29655   0.82522   0.00000  Uiso   1.00
H398   H     0.30336   0.34258   0.81798   0.00000  Uiso   1.00
H400   H     0.07400   0.11579   0.91746   0.00000  Uiso   1.00
H403   H     0.11526   0.37610   0.81981   0.00000  Uiso   1.00
H404   H     0.32344   0.11136   0.83859   0.00000  Uiso   1.00
H405   H     0.73542   0.43040   0.97954   0.00000  Uiso   1.00
C653   C     0.43564   0.16108   0.87095   0.00000  Uiso   1.00
C655   C     0.51974   0.28398   0.89701   0.00000  Uiso   1.00
C659   C     0.29162   0.17391   0.84477   0.00000  Uiso   1.00
C660   C     0.23512   0.25019   0.84112   0.00000  Uiso   1.00
C661   C     0.71577   0.18934   0.92277   0.00000  Uiso   1.00
C662   C     0.11506   0.03988   0.89533   0.00000  Uiso   1.00
C664   C     0.13560   0.41589   0.81516   0.00000  Uiso   1.00
C665   C     0.27989   0.38073   0.81658   0.00000  Uiso   1.00
C666   C     0.19771   0.16252   0.86039   0.00000  Uiso   1.00
C667   C     0.18403   0.38695   0.81895   0.00000  Uiso   1.00
C668   C     0.04058   0.41223   0.82751   0.00000  Uiso   1.00
C669   C     0.40174   0.07545   0.84707   0.00000  Uiso   1.00
C670   C     0.15459   0.12778   0.87760   0.00000  Uiso   1.00
C673   C     0.22867   0.30242   0.81984   0.00000  Uiso   1.00
C674   C     0.56921   0.20441   0.91215   0.00000  Uiso   1.00
C675   C     0.62018   0.17965   0.92038   0.00000  Uiso   1.00
C676   C     0.47953   0.19573   0.88190   0.00000  Uiso   1.00
C677   C     0.34386   0.15150   0.84601   0.00000  Uiso   1.00
C678   C     0.67225   0.12973   0.91513   0.00000  Uiso   1.00
C680   C     0.08649   0.46777   0.81836   0.00000  Uiso   1.00
C683   C     0.09103   0.10615   0.90755   0.00000  Uiso   1.00
N221   N     0.52052   0.00018   0.97187   0.00000  Uiso   1.00
N222   N     0.56497   0.01534   0.97238   0.00000  Uiso   1.00
H447   H     0.53335   0.03521   0.99038   0.00000  Uiso   1.00
C760   C     0.53972   0.01891   0.97688   0.00000  Uiso   1.00
C855   C     0.52836   0.00200   0.89540   0.00000  Uiso   1.00
N325   N     0.14243   0.47575   0.88492   0.00000  Uiso   1.00
N326   N     0.10797   0.50496   0.87305   0.00000  Uiso   1.00
N327   N     0.09697   0.46503   0.89378   0.00000  Uiso   1.00
N334   N     0.16625   0.33260   0.99570   0.00000  Uiso   1.00
N335   N     0.13417   0.35209   0.96780   0.00000  Uiso   1.00
N336   N     0.17828   0.36946   0.96823   0.00000  Uiso   1.00
N346   N     0.14752   0.73073   0.82457   0.00000  Uiso   1.00
N347   N     0.18848   0.74901   0.83870   0.00000  Uiso   1.00
N348   N     0.14990   0.77744   0.83382   0.00000  Uiso   1.00
N352   N     0.00062   0.19940   0.91007   0.00000  Uiso   1.00
C1056  C     0.13355   0.49863   0.87416   0.00000  Uiso   1.00
C1057  C     0.08870   0.48793   0.88260   0.00000  Uiso   1.00
C1058  C     0.12344   0.45950   0.89554   0.00000  Uiso   1.00
C1063  C     0.15273   0.36966   0.95745   0.00000  Uiso   1.00
C1068  C     0.17404   0.72810   0.83021   0.00000  Uiso   1.00
C1079  C     0.05399   0.52098   0.87034   0.00000  Uiso   1.00
C1080  C     0.02701   0.52803   0.86987   0.00000  Uiso   1.00
C1081  C     0.01487   0.48410   0.88971   0.00000  Uiso   1.00
C1082  C     0.04217   0.47629   0.88905   0.00000  Uiso   1.00
C1092  C     0.17964   0.51011   0.86485   0.00000  Uiso   1.00
C1093  C     0.14454   0.54081   0.85338   0.00000  Uiso   1.00
C1094  C     0.16396   0.56074   0.84636   0.00000  Uiso   1.00
C1097  C     0.11167   0.41619   0.91488   0.00000  Uiso   1.00
C1098  C     0.11796   0.39298   0.92974   0.00000  Uiso   1.00
C1099  C     0.16484   0.40655   0.92886   0.00000  Uiso   1.00
C1100  C     0.15800   0.42892   0.91257   0.00000  Uiso   1.00
C1113  C     0.16963   0.67829   0.82606   0.00000  Uiso   1.00
C1114  C     0.18087   0.65190   0.82704   0.00000  Uiso   1.00
H620   H     0.08950   0.42159   0.91309   0.00000  Uiso   1.00
H621   H     0.09917   0.38272   0.93917   0.00000  Uiso   1.00
H622   H     0.06900   0.53513   0.86131   0.00000  Uiso   1.00
H623   H     0.18637   0.40450   0.93632   0.00000  Uiso   1.00
H625   H     0.17289   0.44284   0.90513   0.00000  Uiso   1.00
H632   H     0.01974   0.54665   0.86206   0.00000  Uiso   1.00
H641   H     0.12734   0.31918   0.99563   0.00000  Uiso   1.00
H648   H     0.00030   0.47152   0.89821   0.00000  Uiso   1.00
H649   H     0.14782   0.68203   0.82224   0.00000  Uiso   1.00
H651   H     0.16742   0.63507   0.82500   0.00000  Uiso   1.00
H662   H     0.04673   0.45635   0.89547   0.00000  Uiso   1.00
H665   H     0.11714   0.75869   0.81693   0.00000  Uiso   1.00
H666   H     0.18567   0.49024   0.87258   0.00000  Uiso   1.00
H668   H     0.18826   0.78897   0.84498   0.00000  Uiso   1.00
H672   H     0.12296   0.54735   0.85128   0.00000  Uiso   1.00
H674   H     0.15665   0.57884   0.83826   0.00000  Uiso   1.00
H681   H     0.01943   0.23480   0.91093   0.00000  Uiso   1.00
C1130  C     0.13119   0.43533   0.90665   0.00000  Uiso   1.00
C1134  C     0.15233   0.51686   0.86427   0.00000  Uiso   1.00
C1138  C     0.14465   0.38839   0.93768   0.00000  Uiso   1.00
C1141  C     0.06188   0.49480   0.87990   0.00000  Uiso   1.00
C1145  C     0.00794   0.51070   0.88197   0.00000  Uiso   1.00
C1146  C     0.18472   0.70165   0.83046   0.00000  Uiso   1.00
C1148  C     0.19205   0.55556   0.85052   0.00000  Uiso   1.00
C1158  C     0.14165   0.33479   0.98664   0.00000  Uiso   1.00
C1160  C     0.17553   0.77206   0.84189   0.00000  Uiso   1.00
C1164  C     0.18424   0.35056   0.98743   0.00000  Uiso   1.00
C1165  C     0.00137   0.22538   0.91681   0.00000  Uiso   1.00
C1168  C     0.13725   0.75588   0.82379   0.00000  Uiso   1.00
N31    N     0.71843   0.07349   0.92792   0.00000  Uiso   1.00
N32    N     0.76204   0.09038   0.92421   0.00000  Uiso   1.00
N33    N     0.75503   0.04342   0.92573   0.00000  Uiso   1.00
C26    C     0.72853   0.04875   0.92891   0.00000  Uiso   1.00
C79    C     0.68261   0.03202   0.93544   0.00000  Uiso   1.00
C80    C     0.66425   0.01135   0.93800   0.00000  Uiso   1.00
C82    C     0.72019   0.00008   0.93446   0.00000  Uiso   1.00
H47    H     0.67773   0.05312   0.93678   0.00000  Uiso   1.00
H49    H     0.64287   0.01851   0.93906   0.00000  Uiso   1.00
H74    H     0.72720   0.11410   0.92715   0.00000  Uiso   1.00
H75    H     0.79308   0.06022   0.92072   0.00000  Uiso   1.00
C116   C     0.71032   0.02716   0.93214   0.00000  Uiso   1.00
C123   C     0.73597   0.09401   0.92465   0.00000  Uiso   1.00
C126   C     0.77149   0.06457   0.92319   0.00000  Uiso   1.00
N109   N     0.73217   0.05555   0.99528   0.00000  Uiso   1.00
N115   N     0.87421   0.09485   0.97898   0.00000  Uiso   1.00
N116   N     0.84697   0.13205   0.97043   0.00000  Uiso   1.00
N117   N     0.89501   0.13461   0.96714   0.00000  Uiso   1.00
N121   N     0.99735   0.02976   0.97606   0.00000  Uiso   1.00
N124   N     0.56407   0.11863   0.98119   0.00000  Uiso   1.00
N125   N     0.60843   0.12254   0.98752   0.00000  Uiso   1.00
N126   N     0.58811   0.08185   0.99638   0.00000  Uiso   1.00
C352   C     0.75563   0.04231   0.99817   0.00000  Uiso   1.00
C358   C     0.84961   0.10741   0.97839   0.00000  Uiso   1.00
C360   C     0.89662   0.10930   0.97378   0.00000  Uiso   1.00
C363   C     0.99848   0.05665   0.97917   0.00000  Uiso   1.00
C364   C     0.61043   0.09702   0.99230   0.00000  Uiso   1.00
C367   C     0.87022   0.14528   0.96630   0.00000  Uiso   1.00
C371   C     0.58510   0.13390   0.98204   0.00000  Uiso   1.00
C372   C     0.56416   0.09394   0.99263   0.00000  Uiso   1.00
H221   H     0.84869   0.05468   0.99394   0.00000  Uiso   1.00
H222   H     0.79890   0.12330   0.97772   0.00000  Uiso   1.00
H223   H     0.75691   0.09571   0.98988   0.00000  Uiso   1.00
H229   H     0.86585   0.16648   0.96192   0.00000  Uiso   1.00
H234   H     0.94623   0.13351   0.96624   0.00000  Uiso   1.00
H235   H     0.98977   0.11039   0.97435   0.00000  Uiso   1.00
H236   H     0.94752   0.03353   0.98746   0.00000  Uiso   1.00
H237   H     0.90478   0.05697   0.98775   0.00000  Uiso   1.00
H250   H     0.61565   0.04504   0.99574   0.00000  Uiso   1.00
H251   H     0.65950   0.11823   0.98390   0.00000  Uiso   1.00
H252   H     0.70139   0.09505   0.98835   0.00000  Uiso   1.00
H262   H     0.54369   0.08328   0.99680   0.00000  Uiso   1.00
H263   H     0.58491   0.15363   0.97399   0.00000  Uiso   1.00
H270   H     0.13668   0.10901   0.99685   0.00000  Uiso   1.00
H273   H     0.09730   0.04079   0.96177   0.00000  Uiso   1.00
H274   H     0.13782   0.06423   0.97186   0.00000  Uiso   1.00
C375   C     0.94629   0.11144   0.97126   0.00000  Uiso   1.00
C377   C     0.97146   0.09811   0.97634   0.00000  Uiso   1.00
C379   C     0.94903   0.05489   0.98357   0.00000  Uiso   1.00
C380   C     0.92304   0.06768   0.98050   0.00000  Uiso   1.00
C391   C     0.80645   0.04634   0.99684   0.00000  Uiso   1.00
C395   C     0.82912   0.06465   0.99331   0.00000  Uiso   1.00
C398   C     0.79984   0.10222   0.98376   0.00000  Uiso   1.00
C399   C     0.63569   0.05515   0.99493   0.00000  Uiso   1.00
C400   C     0.65950   0.09724   0.98952   0.00000  Uiso   1.00
C401   C     0.77822   0.08585   0.99110   0.00000  Uiso   1.00
C402   C     0.68371   0.08207   0.99029   0.00000  Uiso   1.00
C431   C     0.09339   0.11017   0.99729   0.00000  Uiso   1.00
C434   C     0.09377   0.05968   0.97134   0.00000  Uiso   1.00
C436   C     0.11849   0.07270   0.97618   0.00000  Uiso   1.00
C437   C     0.11830   0.09797   0.99076   0.00000  Uiso   1.00
C443   C     0.63580   0.08387   0.99303   0.00000  Uiso   1.00
C450   C     0.97353   0.06977   0.98085   0.00000  Uiso   1.00
C452   C     0.68474   0.05468   0.99844   0.00000  Uiso   1.00
C453   C     0.82621   0.09123   0.98529   0.00000  Uiso   1.00
C455   C     0.78052   0.05787   0.99538   0.00000  Uiso   1.00
C462   C     0.92203   0.09592   0.97437   0.00000  Uiso   1.00
N184   N     0.79854   0.23981   0.88174   0.00000  Uiso   1.00
N185   N     0.76857   0.27317   0.89779   0.00000  Uiso   1.00
N186   N     0.81114   0.28597   0.87997   0.00000  Uiso   1.00
N187   N     0.92914   0.33105   0.83402   0.00000  Uiso   1.00
N188   N     0.94487   0.37523   0.83380   0.00000  Uiso   1.00
N189   N     0.97404   0.34077   0.82305   0.00000  Uiso   1.00
N193   N     0.79349   0.41417   0.93559   0.00000  Uiso   1.00
N194   N     0.75326   0.40009   0.95650   0.00000  Uiso   1.00
N195   N     0.77119   0.44369   0.96555   0.00000  Uiso   1.00
C582   C     0.77419   0.24717   0.89307   0.00000  Uiso   1.00
C583   C     0.78690   0.29167   0.89046   0.00000  Uiso   1.00
C584   C     0.96956   0.36683   0.82894   0.00000  Uiso   1.00
C585   C     0.95311   0.32272   0.82677   0.00000  Uiso   1.00
C587   C     0.77358   0.39646   0.93880   0.00000  Uiso   1.00
C615   C     0.76118   0.19835   0.90431   0.00000  Uiso   1.00
C630   C     0.79687   0.36528   0.90467   0.00000  Uiso   1.00
C631   C     0.80057   0.33983   0.89240   0.00000  Uiso   1.00
C632   C     0.75848   0.32641   0.91153   0.00000  Uiso   1.00
C633   C     0.75539   0.35176   0.92387   0.00000  Uiso   1.00
C636   C     0.99078   0.41161   0.83019   0.00000  Uiso   1.00
C646   C     0.98310   0.28449   0.81846   0.00000  Uiso   1.00
C647   C     0.98878   0.25679   0.82126   0.00000  Uiso   1.00
C648   C     0.96954   0.23981   0.83251   0.00000  Uiso   1.00
C649   C     0.94398   0.24884   0.84005   0.00000  Uiso   1.00
C650   C     0.93755   0.27643   0.83694   0.00000  Uiso   1.00
H336   H     0.78129   0.18930   0.89890   0.00000  Uiso   1.00
H338   H     0.74537   0.15915   0.91584   0.00000  Uiso   1.00
H359   H     0.83422   0.25479   0.86460   0.00000  Uiso   1.00
H363   H     0.81287   0.37931   0.90393   0.00000  Uiso   1.00
H364   H     0.81845   0.33478   0.88032   0.00000  Uiso   1.00
H373   H     0.97069   0.41967   0.83238   0.00000  Uiso   1.00
H377   H     0.90691   0.36427   0.84287   0.00000  Uiso   1.00
H393   H     0.99702   0.29998   0.80916   0.00000  Uiso   1.00
H397   H     0.97657   0.21946   0.83828   0.00000  Uiso   1.00
H399   H     0.92753   0.23536   0.84732   0.00000  Uiso   1.00
H401   H     0.91987   0.28387   0.84841   0.00000  Uiso   1.00
H402   H     0.80516   0.45353   0.94430   0.00000  Uiso   1.00
C652   C     0.78124   0.31846   0.89732   0.00000  Uiso   1.00
C657   C     0.77451   0.37218   0.92194   0.00000  Uiso   1.00
C663   C     0.99211   0.38379   0.82630   0.00000  Uiso   1.00
C671   C     0.95742   0.29487   0.82629   0.00000  Uiso   1.00
C672   C     0.75545   0.22672   0.90252   0.00000  Uiso   1.00
C684   C     0.75340   0.42393   0.96925   0.00000  Uiso   1.00
C685   C     0.92627   0.35728   0.83752   0.00000  Uiso   1.00
C686   C     0.81613   0.26014   0.87556   0.00000  Uiso   1.00
C687   C     0.79126   0.43778   0.94917   0.00000  Uiso   1.00
H578   H     0.63606   0.60456   0.99023   0.00000  Uiso   1.00
N316   N     0.87323   0.43932   0.99129   0.00000  Uiso   1.00
N317   N     0.84984   0.47952   0.99098   0.00000  Uiso   1.00
N322   N     0.97492   0.54554   0.87975   0.00000  Uiso   1.00
N323   N     0.93435   0.54396   0.90405   0.00000  Uiso   1.00
N324   N     0.96463   0.50758   0.90401   0.00000  Uiso   1.00
N328   N     0.92052   0.68109   0.88130   0.00000  Uiso   1.00
N329   N     0.94539   0.72184   0.87685   0.00000  Uiso   1.00
N330   N     0.96512   0.67959   0.86654   0.00000  Uiso   1.00
N331   N     0.23777   0.57093   0.85125   0.00000  Uiso   1.00
N332   N     0.24463   0.61756   0.84332   0.00000  Uiso   1.00
N333   N     0.20187   0.59926   0.83727   0.00000  Uiso   1.00
N337   N     0.74488   0.74018   0.94962   0.00000  Uiso   1.00
N338   N     0.71663   0.70749   0.96880   0.00000  Uiso   1.00
N339   N     0.76126   0.69566   0.96188   0.00000  Uiso   1.00
N343   N     0.83521   0.80246   0.90223   0.00000  Uiso   1.00
N344   N     0.80795   0.76371   0.90653   0.00000  Uiso   1.00
N345   N     0.78887   0.80823   0.89933   0.00000  Uiso   1.00
N353   N     0.98267   0.23674   0.93129   0.00000  Uiso   1.00
N354   N     0.95914   0.19680   0.93197   0.00000  Uiso   1.00
C1053  C     0.95131   0.55578   0.88722   0.00000  Uiso   1.00
C1054  C     0.94159   0.51958   0.91150   0.00000  Uiso   1.00
C1055  C     0.98196   0.52087   0.88878   0.00000  Uiso   1.00
C1059  C     0.92247   0.70836   0.88370   0.00000  Uiso   1.00
C1060  C     0.94202   0.66774   0.87143   0.00000  Uiso   1.00
C1061  C     0.21830   0.62119   0.83958   0.00000  Uiso   1.00
C1062  C     0.21185   0.57505   0.84499   0.00000  Uiso   1.00
C1064  C     0.73604   0.68899   0.97022   0.00000  Uiso   1.00
C1067  C     0.83340   0.77570   0.90556   0.00000  Uiso   1.00
C1070  C     0.87203   0.46509   0.98545   0.00000  Uiso   1.00
C1075  C     0.96101   0.22332   0.93842   0.00000  Uiso   1.00
C1083  C     0.91835   0.62492   0.87973   0.00000  Uiso   1.00
C1084  C     0.92068   0.59590   0.88304   0.00000  Uiso   1.00
C1085  C     0.96744   0.59607   0.86879   0.00000  Uiso   1.00
C1086  C     0.96631   0.62528   0.86407   0.00000  Uiso   1.00
C1090  C     0.70706   0.65258   0.98951   0.00000  Uiso   1.00
C1091  C     0.19925   0.52942   0.85931   0.00000  Uiso   1.00
C1095  C     0.70225   0.62571   0.99806   0.00000  Uiso   1.00
C1096  C     0.90329   0.51825   0.94042   0.00000  Uiso   1.00
C1105  C     0.88209   0.77001   0.90434   0.00000  Uiso   1.00
C1106  C     0.90385   0.75292   0.89632   0.00000  Uiso   1.00
C1107  C     0.87223   0.71502   0.89320   0.00000  Uiso   1.00
C1108  C     0.85388   0.73005   0.90825   0.00000  Uiso   1.00
C1109  C     0.74830   0.61508   0.98778   0.00000  Uiso   1.00
C1110  C     0.88637   0.50580   0.96022   0.00000  Uiso   1.00
C1111  C     0.75347   0.64103   0.97727   0.00000  Uiso   1.00
C1115  C     0.22446   0.67024   0.83464   0.00000  Uiso   1.00
C1116  C     0.21296   0.69660   0.83529   0.00000  Uiso   1.00
C1118  C     0.91376   0.46498   0.95536   0.00000  Uiso   1.00
C1119  C     0.80673   0.51102   0.99902   0.00000  Uiso   1.00
C1121  C     0.93172   0.47818   0.93853   0.00000  Uiso   1.00
C1124  C     0.92126   0.27576   0.97498   0.00000  Uiso   1.00
C1125  C     0.94259   0.26341   0.96140   0.00000  Uiso   1.00
C1126  C     0.91928   0.22043   0.96556   0.00000  Uiso   1.00
C1127  C     0.89830   0.23342   0.98056   0.00000  Uiso   1.00
H615   H     0.27380   0.59086   0.85142   0.00000  Uiso   1.00
H618   H     0.89673   0.53850   0.93432   0.00000  Uiso   1.00
H619   H     0.90630   0.58440   0.89426   0.00000  Uiso   1.00
H624   H     0.98591   0.58546   0.86791   0.00000  Uiso   1.00
H627   H     0.98339   0.63757   0.85735   0.00000  Uiso   1.00
H633   H     0.88279   0.79215   0.90363   0.00000  Uiso   1.00
H634   H     0.92367   0.76112   0.89287   0.00000  Uiso   1.00
H636   H     0.86713   0.69426   0.89093   0.00000  Uiso   1.00
H638   H     0.83403   0.72255   0.91393   0.00000  Uiso   1.00
H639   H     0.20442   0.34953   0.99474   0.00000  Uiso   1.00
H642   H     0.76626   0.60287   0.98619   0.00000  Uiso   1.00
H643   H     0.89682   0.39840   0.99404   0.00000  Uiso   1.00
H644   H     0.78485   0.72735   0.94666   0.00000  Uiso   1.00
H645   H     0.77252   0.64656   0.96872   0.00000  Uiso   1.00
H646   H     0.70207   0.74475   0.96165   0.00000  Uiso   1.00
H647   H     0.87103   0.51652   0.96955   0.00000  Uiso   1.00
H650   H     0.98477   0.71713   0.86360   0.00000  Uiso   1.00
H652   H     0.69020   0.66653   0.98954   0.00000  Uiso   1.00
H653   H     0.24562   0.66742   0.84097   0.00000  Uiso   1.00
H654   H     0.22444   0.71398   0.84003   0.00000  Uiso   1.00
H659   H     0.22092   0.52386   0.86358   0.00000  Uiso   1.00
H660   H     0.81735   0.84056   0.90147   0.00000  Uiso   1.00
H661   H     0.91997   0.44432   0.96114   0.00000  Uiso   1.00
H663   H     0.76619   0.77355   0.90304   0.00000  Uiso   1.00
H664   H     0.82398   0.52072   0.99005   0.00000  Uiso   1.00
H667   H     0.78441   0.55017   0.99909   0.00000  Uiso   1.00
H670   H     0.95149   0.46948   0.93269   0.00000  Uiso   1.00
H673   H     0.92132   0.29735   0.97900   0.00000  Uiso   1.00
H675   H     0.95717   0.27695   0.95133   0.00000  Uiso   1.00
H676   H     0.91606   0.19972   0.96360   0.00000  Uiso   1.00
H677   H     0.90007   0.63493   0.88394   0.00000  Uiso   1.00
H678   H     0.88143   0.21983   0.98670   0.00000  Uiso   1.00
H679   H     0.97764   0.16525   0.91490   0.00000  Uiso   1.00
C1131  C     0.73229   0.66178   0.97889   0.00000  Uiso   1.00
C1133  C     0.72287   0.60670   0.99710   0.00000  Uiso   1.00
C1135  C     0.85633   0.75910   0.90743   0.00000  Uiso   1.00
C1139  C     0.20767   0.64703   0.83344   0.00000  Uiso   1.00
C1140  C     0.92518   0.50451   0.92990   0.00000  Uiso   1.00
C1142  C     0.94483   0.58184   0.87725   0.00000  Uiso   1.00
C1147  C     0.94134   0.23514   0.95546   0.00000  Uiso   1.00
C1150  C     0.89113   0.47819   0.96844   0.00000  Uiso   1.00
C1152  C     0.89930   0.26111   0.98603   0.00000  Uiso   1.00
C1153  C     0.89955   0.72444   0.89142   0.00000  Uiso   1.00
C1154  C     0.94178   0.63842   0.87073   0.00000  Uiso   1.00
C1155  C     0.96626   0.70651   0.87048   0.00000  Uiso   1.00
C1156  C     0.72028   0.73152   0.95850   0.00000  Uiso   1.00
C1159  C     0.78654   0.78178   0.90339   0.00000  Uiso   1.00
C1161  C     0.81413   0.81822   0.90060   0.00000  Uiso   1.00
C1166  C     0.76440   0.72140   0.95213   0.00000  Uiso   1.00
C1169  C     0.25316   0.59283   0.84773   0.00000  Uiso   1.00
C1170  C     0.97877   0.18721   0.91840   0.00000  Uiso   1.00
H541   H     0.99304   0.16893   0.99549   0.00000  Uiso   1.00
H64    H     0.02758   0.89246   0.92676   0.00000  Uiso   1.00
C129   C     0.00659   0.89377   0.93056   0.00000  Uiso   1.00
N34    N     0.26050   0.34511   0.89851   0.00000  Uiso   1.00
N35    N     0.22732   0.31188   0.89383   0.00000  Uiso   1.00
N36    N     0.21511   0.35543   0.89160   0.00000  Uiso   1.00
N37    N     0.30241   0.51662   0.86090   0.00000  Uiso   1.00
N38    N     0.30585   0.47039   0.87188   0.00000  Uiso   1.00
N39    N     0.26490   0.48962   0.86352   0.00000  Uiso   1.00
N40    N     0.44782   0.47387   0.86885   0.00000  Uiso   1.00
N41    N     0.44849   0.51743   0.85354   0.00000  Uiso   1.00
N42    N     0.49099   0.49484   0.86184   0.00000  Uiso   1.00
N43    N     0.10039   0.26897   0.86467   0.00000  Uiso   1.00
N44    N     0.05455   0.27546   0.86588   0.00000  Uiso   1.00
N45    N     0.08353   0.31166   0.87113   0.00000  Uiso   1.00
N49    N     0.37615   0.20809   0.93229   0.00000  Uiso   1.00
N50    N     0.33018   0.21699   0.91967   0.00000  Uiso   1.00
N51    N     0.36126   0.25148   0.92295   0.00000  Uiso   1.00
N52    N     0.03481   0.13609   0.83516   0.00000  Uiso   1.00
N53    N     0.08020   0.13176   0.83138   0.00000  Uiso   1.00
N54    N     0.05349   0.09275   0.82907   0.00000  Uiso   1.00
N58    N     0.56936   0.60295   0.82122   0.00000  Uiso   1.00
N59    N     0.57539   0.64838   0.80823   0.00000  Uiso   1.00
N60    N     0.53093   0.62972   0.81646   0.00000  Uiso   1.00
N61    N     0.31169   0.07548   0.90414   0.00000  Uiso   1.00
N62    N     0.35539   0.06792   0.91699   0.00000  Uiso   1.00
N63    N     0.32889   0.03223   0.90246   0.00000  Uiso   1.00
N64    N     0.21860   0.02452   0.78097   0.00000  Uiso   1.00
N65    N     0.17203   0.02246   0.79172   0.00000  Uiso   1.00
N66    N     0.19596   0.06308   0.79496   0.00000  Uiso   1.00
C130   C     0.43488   0.49676   0.86285   0.00000  Uiso   1.00
C131   C     0.47646   0.51609   0.85255   0.00000  Uiso   1.00
C132   C     0.07556   0.25929   0.86097   0.00000  Uiso   1.00
C133   C     0.05786   0.30129   0.87186   0.00000  Uiso   1.00
C134   C     0.10387   0.29471   0.86865   0.00000  Uiso   1.00
C137   C     0.35148   0.20023   0.92688   0.00000  Uiso   1.00
C138   C     0.33563   0.24318   0.91936   0.00000  Uiso   1.00
C139   C     0.38093   0.23411   0.92966   0.00000  Uiso   1.00
C140   C     0.05933   0.14711   0.83515   0.00000  Uiso   1.00
C141   C     0.07707   0.10488   0.82892   0.00000  Uiso   1.00
C145   C     0.58466   0.62296   0.81348   0.00000  Uiso   1.00
C146   C     0.54212   0.60560   0.82358   0.00000  Uiso   1.00
C147   C     0.20769   0.33042   0.89077   0.00000  Uiso   1.00
C148   C     0.33534   0.08426   0.91299   0.00000  Uiso   1.00
C149   C     0.31835   0.49482   0.86503   0.00000  Uiso   1.00
C150   C     0.25271   0.31969   0.89603   0.00000  Uiso   1.00
C151   C     0.30916   0.04996   0.89767   0.00000  Uiso   1.00
C152   C     0.27916   0.46893   0.87141   0.00000  Uiso   1.00
C153   C     0.24067   0.36265   0.89478   0.00000  Uiso   1.00
C154   C     0.17243   0.04954   0.79566   0.00000  Uiso   1.00
C155   C     0.03874   0.34458   0.88406   0.00000  Uiso   1.00
C156   C     0.00688   0.30761   0.87812   0.00000  Uiso   1.00
C158   C     0.52046   0.53744   0.84625   0.00000  Uiso   1.00
C159   C     0.53743   0.55977   0.84058   0.00000  Uiso   1.00
C160   C     0.49665   0.58815   0.83684   0.00000  Uiso   1.00
C161   C     0.48015   0.56480   0.84319   0.00000  Uiso   1.00
C162   C     0.28468   0.42393   0.88962   0.00000  Uiso   1.00
C163   C     0.36161   0.51953   0.85705   0.00000  Uiso   1.00
C168   C     0.29911   0.30751   0.90317   0.00000  Uiso   1.00
C169   C     0.31915   0.28897   0.90981   0.00000  Uiso   1.00
C170   C     0.28694   0.25392   0.90730   0.00000  Uiso   1.00
C171   C     0.26637   0.27189   0.89970   0.00000  Uiso   1.00
C172   C     0.08987   0.18722   0.84619   0.00000  Uiso   1.00
C173   C     0.09296   0.21494   0.85221   0.00000  Uiso   1.00
C174   C     0.04613   0.21899   0.85684   0.00000  Uiso   1.00
C175   C     0.04182   0.19119   0.84971   0.00000  Uiso   1.00
C176   C     0.38981   0.51943   0.85707   0.00000  Uiso   1.00
C177   C     0.15058   0.28604   0.87996   0.00000  Uiso   1.00
C178   C     0.45629   0.23824   0.93883   0.00000  Uiso   1.00
C179   C     0.42992   0.22613   0.93906   0.00000  Uiso   1.00
C180   C     0.41355   0.27115   0.92688   0.00000  Uiso   1.00
C181   C     0.43989   0.28200   0.92414   0.00000  Uiso   1.00
C182   C     0.46074   0.26512   0.93073   0.00000  Uiso   1.00
C183   C     0.17547   0.29536   0.88964   0.00000  Uiso   1.00
C184   C     0.23811   0.43674   0.87823   0.00000  Uiso   1.00
C185   C     0.31857   0.16077   0.91882   0.00000  Uiso   1.00
C186   C     0.31656   0.13100   0.91287   0.00000  Uiso   1.00
C187   C     0.36081   0.12539   0.92860   0.00000  Uiso   1.00
C188   C     0.36552   0.15339   0.92973   0.00000  Uiso   1.00
C189   C     0.16017   0.34283   0.88447   0.00000  Uiso   1.00
C190   C     0.39133   0.47317   0.87119   0.00000  Uiso   1.00
C191   C     0.13450   0.33300   0.87676   0.00000  Uiso   1.00
C192   C     0.22868   0.41052   0.88739   0.00000  Uiso   1.00
C193   C     0.36275   0.47376   0.87278   0.00000  Uiso   1.00
C194   C     0.27519   0.39743   0.89683   0.00000  Uiso   1.00
C200   C     0.62467   0.59264   0.82301   0.00000  Uiso   1.00
C201   C     0.65285   0.58702   0.82127   0.00000  Uiso   1.00
C202   C     0.66961   0.60902   0.81495   0.00000  Uiso   1.00
C203   C     0.65959   0.63295   0.80297   0.00000  Uiso   1.00
C204   C     0.63197   0.63808   0.80330   0.00000  Uiso   1.00
C205   C     0.23927   0.04630   0.86572   0.00000  Uiso   1.00
C206   C     0.26286   0.05692   0.87932   0.00000  Uiso   1.00
C207   C     0.28353   0.01135   0.88024   0.00000  Uiso   1.00
C208   C     0.25903   0.00086   0.86744   0.00000  Uiso   1.00
C209   C     0.23905   0.01907   0.86025   0.00000  Uiso   1.00
C210   C     0.12557   0.10321   0.81979   0.00000  Uiso   1.00
C211   C     0.14798   0.08842   0.81207   0.00000  Uiso   1.00
C212   C     0.12250   0.04744   0.80924   0.00000  Uiso   1.00
C213   C     0.09895   0.06209   0.81577   0.00000  Uiso   1.00
C214   C     0.01751   0.36191   0.88838   0.00000  Uiso   1.00
H78    H     0.42914   0.20348   0.94062   0.00000  Uiso   1.00
H79    H     0.52769   0.51890   0.85434   0.00000  Uiso   1.00
H80    H     0.39777   0.28655   0.92195   0.00000  Uiso   1.00
H82    H     0.44327   0.30192   0.91536   0.00000  Uiso   1.00
H83    H     0.00063   0.28759   0.87073   0.00000  Uiso   1.00
H84    H     0.01262   0.10286   0.83259   0.00000  Uiso   1.00
H86    H     0.48190   0.45547   0.87668   0.00000  Uiso   1.00
H87    H     0.19026   0.27835   0.89454   0.00000  Uiso   1.00
H88    H     0.55925   0.55939   0.83941   0.00000  Uiso   1.00
H89    H     0.30087   0.17492   0.91687   0.00000  Uiso   1.00
H91    H     0.29781   0.12340   0.90555   0.00000  Uiso   1.00
H92    H     0.37724   0.11109   0.93167   0.00000  Uiso   1.00
H94    H     0.38473   0.16099   0.93855   0.00000  Uiso   1.00
H95    H     0.16516   0.36422   0.88547   0.00000  Uiso   1.00
H96    H     0.22195   0.45155   0.87092   0.00000  Uiso   1.00
H97    H     0.30536   0.32889   0.90287   0.00000  Uiso   1.00
H98    H     0.40251   0.45638   0.87783   0.00000  Uiso   1.00
H99    H     0.11999   0.34934   0.87281   0.00000  Uiso   1.00
H100   H     0.48618   0.60916   0.83143   0.00000  Uiso   1.00
H101   H     0.54301   0.67120   0.80790   0.00000  Uiso   1.00
H102   H     0.26387   0.52872   0.85305   0.00000  Uiso   1.00
H103   H     0.20832   0.40335   0.87953   0.00000  Uiso   1.00
H104   H     0.33891   0.29712   0.91280   0.00000  Uiso   1.00
H105   H     0.37005   0.03038   0.91178   0.00000  Uiso   1.00
H106   H     0.35281   0.45432   0.87857   0.00000  Uiso   1.00
H110   H     0.28067   0.23353   0.90945   0.00000  Uiso   1.00
H112   H     0.45800   0.56809   0.84397   0.00000  Uiso   1.00
H114   H     0.24513   0.26664   0.89787   0.00000  Uiso   1.00
H116   H     0.61230   0.57763   0.83287   0.00000  Uiso   1.00
H117   H     0.10775   0.17592   0.84062   0.00000  Uiso   1.00
H118   H     0.66012   0.56719   0.82766   0.00000  Uiso   1.00
H119   H     0.28990   0.38262   0.90483   0.00000  Uiso   1.00
H120   H     0.69051   0.60545   0.81738   0.00000  Uiso   1.00
H121   H     0.11281   0.22495   0.84979   0.00000  Uiso   1.00
H122   H     0.67368   0.64862   0.79672   0.00000  Uiso   1.00
H123   H     0.62460   0.65678   0.79730   0.00000  Uiso   1.00
H124   H     0.22099   0.01257   0.85038   0.00000  Uiso   1.00
H125   H     0.22100   0.05874   0.86043   0.00000  Uiso   1.00
H126   H     0.02891   0.23176   0.85980   0.00000  Uiso   1.00
H127   H     0.26512   0.07787   0.88121   0.00000  Uiso   1.00
H130   H     0.02004   0.18499   0.84839   0.00000  Uiso   1.00
H132   H     0.12822   0.12441   0.82235   0.00000  Uiso   1.00
H133   H     0.16675   0.09969   0.81471   0.00000  Uiso   1.00
H134   H     0.05849   0.35395   0.88349   0.00000  Uiso   1.00
H135   H     0.11952   0.02562   0.80382   0.00000  Uiso   1.00
H136   H     0.39816   0.53894   0.84904   0.00000  Uiso   1.00
H137   H     0.07938   0.05246   0.81761   0.00000  Uiso   1.00
H138   H     0.23752   0.06287   0.78920   0.00000  Uiso   1.00
H140   H     0.14738   0.26398   0.88049   0.00000  Uiso   1.00
H141   H     0.02009   0.38347   0.89241   0.00000  Uiso   1.00
H143   H     0.48092   0.27478   0.92827   0.00000  Uiso   1.00
H145   H     0.30595   0.42777   0.89080   0.00000  Uiso   1.00
H147   H     0.47143   0.22420   0.94632   0.00000  Uiso   1.00
H149   H     0.34968   0.53682   0.84985   0.00000  Uiso   1.00
C221   C     0.03408   0.31693   0.87699   0.00000  Uiso   1.00
C222   C     0.06387   0.17443   0.84435   0.00000  Uiso   1.00
C223   C     0.26693   0.44456   0.87978   0.00000  Uiso   1.00
C224   C     0.27201   0.29971   0.89829   0.00000  Uiso   1.00
C226   C     0.49211   0.53946   0.84690   0.00000  Uiso   1.00
C227   C     0.14784   0.06036   0.80591   0.00000  Uiso   1.00
C228   C     0.24799   0.38967   0.89343   0.00000  Uiso   1.00
C229   C     0.33754   0.11295   0.91884   0.00000  Uiso   1.00
C230   C     0.10048   0.09014   0.82124   0.00000  Uiso   1.00
C231   C     0.52491   0.58472   0.83420   0.00000  Uiso   1.00
C232   C     0.34719   0.49645   0.86504   0.00000  Uiso   1.00
C233   C     0.31481   0.26054   0.91228   0.00000  Uiso   1.00
C234   C     0.40797   0.24392   0.93305   0.00000  Uiso   1.00
C235   C     0.07157   0.23176   0.85748   0.00000  Uiso   1.00
C236   C     0.40595   0.49701   0.86435   0.00000  Uiso   1.00
C238   C     0.61240   0.61831   0.81348   0.00000  Uiso   1.00
C239   C     0.18074   0.32359   0.88905   0.00000  Uiso   1.00
C240   C     0.12994   0.30438   0.87463   0.00000  Uiso   1.00
C242   C     0.28492   0.03990   0.88653   0.00000  Uiso   1.00
C243   C     0.34509   0.17247   0.92534   0.00000  Uiso   1.00
C245   C     0.03337   0.10988   0.83206   0.00000  Uiso   1.00
C247   C     0.27674   0.51304   0.85781   0.00000  Uiso   1.00
C248   C     0.54945   0.65060   0.81077   0.00000  Uiso   1.00
C249   C     0.21922   0.05045   0.78732   0.00000  Uiso   1.00
C250   C     0.19570   0.01101   0.78470   0.00000  Uiso   1.00
C251   C     0.47469   0.47466   0.86929   0.00000  Uiso   1.00
C252   C     0.35222   0.04211   0.91116   0.00000  Uiso   1.00
N79    N     0.31794   0.73442   0.97069   0.00000  Uiso   1.00
N80    N     0.35088   0.76688   0.97077   0.00000  Uiso   1.00
N81    N     0.35918   0.72505   0.95058   0.00000  Uiso   1.00
N88    N     0.00769   0.69397   0.95780   0.00000  Uiso   1.00
N89    N     0.05315   0.68584   0.95159   0.00000  Uiso   1.00
N90    N     0.02267   0.66287   0.92460   0.00000  Uiso   1.00
C253   C     0.33549   0.71672   0.95965   0.00000  Uiso   1.00
C258   C     0.04834   0.66615   0.93382   0.00000  Uiso   1.00
C259   C     0.00286   0.67790   0.93727   0.00000  Uiso   1.00
H158   H     0.00009   0.72883   0.99833   0.00000  Uiso   1.00
H159   H     0.08579   0.71633   0.97819   0.00000  Uiso   1.00
H162   H     0.33660   0.81167   0.99306   0.00000  Uiso   1.00
H163   H     0.27480   0.74879   0.98642   0.00000  Uiso   1.00
H165   H     0.32710   0.69749   0.95413   0.00000  Uiso   1.00
H174   H     0.39304   0.79945   0.97016   0.00000  Uiso   1.00
H175   H     0.43741   0.80893   0.96265   0.00000  Uiso   1.00
H176   H     0.45048   0.73455   0.92166   0.00000  Uiso   1.00
H177   H     0.40106   0.72220   0.93210   0.00000  Uiso   1.00
H187   H     0.06287   0.65454   0.92209   0.00000  Uiso   1.00
C269   C     0.47809   0.78005   0.94327   0.00000  Uiso   1.00
C271   C     0.03364   0.69884   0.96429   0.00000  Uiso   1.00
C275   C     0.32562   0.75917   0.97552   0.00000  Uiso   1.00
C277   C     0.36678   0.75048   0.95717   0.00000  Uiso   1.00
C281   C     0.41110   0.74068   0.93703   0.00000  Uiso   1.00
C288   C     0.02225   0.73240   0.99999   0.00000  Uiso   1.00
C292   C     0.31634   0.80385   0.99606   0.00000  Uiso   1.00
C295   C     0.28161   0.76830   0.99333   0.00000  Uiso   1.00
C304   C     0.40301   0.78477   0.95852   0.00000  Uiso   1.00
C309   C     0.43101   0.78968   0.95434   0.00000  Uiso   1.00
C310   C     0.06929   0.72590   0.98763   0.00000  Uiso   1.00
C316   C     0.43851   0.74741   0.93428   0.00000  Uiso   1.00
C323   C     0.30811   0.77810   0.98746   0.00000  Uiso   1.00
C328   C     0.45018   0.77167   0.94323   0.00000  Uiso   1.00
C333   C     0.39359   0.75921   0.95119   0.00000  Uiso   1.00
C335   C     0.04177   0.71850   0.98452   0.00000  Uiso   1.00
H259   H     0.02367   0.99533   0.96837   0.00000  Uiso   1.00
N127   N     0.17678   0.96289   0.93841   0.00000  Uiso   1.00
N128   N     0.18881   0.92036   0.92026   0.00000  Uiso   1.00
N129   N     0.22097   0.95429   0.92043   0.00000  Uiso   1.00
N133   N     0.32529   0.85929   0.80413   0.00000  Uiso   1.00
N134   N     0.31053   0.89363   0.83293   0.00000  Uiso   1.00
N135   N     0.28785   0.85257   0.83232   0.00000  Uiso   1.00
N139   N     0.40881   0.98163   0.78281   0.00000  Uiso   1.00
N140   N     0.42717   0.94642   0.75681   0.00000  Uiso   1.00
N141   N     0.44586   0.98926   0.75620   0.00000  Uiso   1.00
N142   N     0.05905   0.90496   0.98769   0.00000  Uiso   1.00
N143   N     0.02984   0.86766   0.98910   0.00000  Uiso   1.00
N144   N     0.07198   0.86318   0.97009   0.00000  Uiso   1.00
N154   N     0.28635   0.71819   0.80447   0.00000  Uiso   1.00
N155   N     0.32462   0.72407   0.77749   0.00000  Uiso   1.00
N156   N     0.30859   0.67941   0.78399   0.00000  Uiso   1.00
C463   C     0.32653   0.88418   0.81404   0.00000  Uiso   1.00
C464   C     0.29077   0.87788   0.84160   0.00000  Uiso   1.00
C465   C     0.30496   0.84397   0.81371   0.00000  Uiso   1.00
C468   C     0.40892   0.95591   0.77455   0.00000  Uiso   1.00
C469   C     0.03549   0.89405   0.99369   0.00000  Uiso   1.00
C470   C     0.07658   0.88925   0.97336   0.00000  Uiso   1.00
C475   C     0.21399   0.92876   0.91452   0.00000  Uiso   1.00
C478   C     0.30538   0.73402   0.79384   0.00000  Uiso   1.00
C479   C     0.17166   0.93690   0.93116   0.00000  Uiso   1.00
C481   C     0.20219   0.96989   0.93342   0.00000  Uiso   1.00
C485   C     0.10591   0.92948   0.96734   0.00000  Uiso   1.00
C487   C     0.11797   0.88520   0.94785   0.00000  Uiso   1.00
C488   C     0.37000   0.94655   0.80395   0.00000  Uiso   1.00
C489   C     0.34949   0.92880   0.81196   0.00000  Uiso   1.00
C490   C     0.36737   0.89202   0.78678   0.00000  Uiso   1.00
C491   C     0.38801   0.91016   0.77507   0.00000  Uiso   1.00
C492   C     0.13999   0.89889   0.93477   0.00000  Uiso   1.00
C500   C     0.22904   0.88542   0.88677   0.00000  Uiso   1.00
C507   C     0.24941   0.87327   0.86993   0.00000  Uiso   1.00
C512   C     0.28180   0.77250   0.81258   0.00000  Uiso   1.00
C513   C     0.28197   0.80057   0.81655   0.00000  Uiso   1.00
C514   C     0.32037   0.80668   0.78485   0.00000  Uiso   1.00
C515   C     0.32212   0.77926   0.78335   0.00000  Uiso   1.00
C516   C     0.27664   0.91446   0.87414   0.00000  Uiso   1.00
C517   C     0.25824   0.92413   0.89215   0.00000  Uiso   1.00
C522   C     0.12762   0.94349   0.95372   0.00000  Uiso   1.00
H277   H     0.36767   0.87085   0.78192   0.00000  Uiso   1.00
H280   H     0.40369   0.90372   0.76151   0.00000  Uiso   1.00
H284   H     0.20953   0.87628   0.88984   0.00000  Uiso   1.00
H285   H     0.25449   0.98810   0.92891   0.00000  Uiso   1.00
H287   H     0.11536   0.86372   0.94154   0.00000  Uiso   1.00
H289   H     0.13228   0.96311   0.96125   0.00000  Uiso   1.00
H292   H     0.46280   0.95657   0.73593   0.00000  Uiso   1.00
H294   H     0.15403   0.88636   0.92226   0.00000  Uiso   1.00
H299   H     0.24553   0.85348   0.85921   0.00000  Uiso   1.00
H300   H     0.26676   0.75906   0.82420   0.00000  Uiso   1.00
H301   H     0.26643   0.80997   0.82878   0.00000  Uiso   1.00
H303   H     0.33714   0.82032   0.77744   0.00000  Uiso   1.00
H304   H     0.33878   0.76989   0.77156   0.00000  Uiso   1.00
H305   H     0.27623   0.67588   0.80922   0.00000  Uiso   1.00
H306   H     0.29541   0.92330   0.86945   0.00000  Uiso   1.00
H307   H     0.04711   0.83004   0.97307   0.00000  Uiso   1.00
H308   H     0.34106   0.68991   0.76006   0.00000  Uiso   1.00
H309   H     0.26034   0.94475   0.89980   0.00000  Uiso   1.00
H319   H     0.36944   0.96734   0.81188   0.00000  Uiso   1.00
H325   H     0.09221   0.94056   0.98037   0.00000  Uiso   1.00
H329   H     0.33779   0.93774   0.82691   0.00000  Uiso   1.00
C529   C     0.10003   0.90138   0.96285   0.00000  Uiso   1.00
C536   C     0.27347   0.88821   0.86333   0.00000  Uiso   1.00
C538   C     0.23215   0.91286   0.89657   0.00000  Uiso   1.00
C539   C     0.21191   0.99595   0.94313   0.00000  Uiso   1.00
C540   C     0.14652   0.92642   0.93809   0.00000  Uiso   1.00
C541   C     0.38806   0.93764   0.78287   0.00000  Uiso   1.00
C542   C     0.30195   0.81700   0.80447   0.00000  Uiso   1.00
C546   C     0.30350   0.76200   0.79580   0.00000  Uiso   1.00
C548   C     0.34683   0.90187   0.80511   0.00000  Uiso   1.00
C551   C     0.44545   0.96346   0.74795   0.00000  Uiso   1.00
C556   C     0.42691   0.99825   0.77251   0.00000  Uiso   1.00
C559   C     0.04901   0.85233   0.97732   0.00000  Uiso   1.00
C560   C     0.32555   0.69786   0.77338   0.00000  Uiso   1.00
C561   C     0.28976   0.69023   0.80076   0.00000  Uiso   1.00
N181   N     0.13706   0.94632   0.87187   0.00000  Uiso   1.00
N182   N     0.11590   0.90325   0.87526   0.00000  Uiso   1.00
N183   N     0.09619   0.94067   0.89567   0.00000  Uiso   1.00
N190   N     0.24029   0.89665   0.78653   0.00000  Uiso   1.00
N191   N     0.25607   0.86256   0.75711   0.00000  Uiso   1.00
N192   N     0.22368   0.85326   0.79031   0.00000  Uiso   1.00
C580   C     0.13712   0.91857   0.86860   0.00000  Uiso   1.00
C581   C     0.11559   0.95626   0.88521   0.00000  Uiso   1.00
C586   C     0.22186   0.87955   0.79756   0.00000  Uiso   1.00
C619   C     0.09322   0.99704   0.90218   0.00000  Uiso   1.00
C622   C     0.13893   0.99959   0.88059   0.00000  Uiso   1.00
C640   C     0.18729   0.86974   0.83193   0.00000  Uiso   1.00
C641   C     0.16599   0.87956   0.84932   0.00000  Uiso   1.00
C642   C     0.17984   0.92517   0.84410   0.00000  Uiso   1.00
C643   C     0.20107   0.91583   0.82760   0.00000  Uiso   1.00
H343   H     0.07746   0.98476   0.91266   0.00000  Uiso   1.00
H348   H     0.15627   0.99100   0.86924   0.00000  Uiso   1.00
H356   H     0.08107   0.90185   0.89620   0.00000  Uiso   1.00
H382   H     0.18721   0.84911   0.82506   0.00000  Uiso   1.00
H384   H     0.15258   0.86515   0.85881   0.00000  Uiso   1.00
H385   H     0.17577   0.94618   0.84712   0.00000  Uiso   1.00
H387   H     0.21329   0.93186   0.81827   0.00000  Uiso   1.00
H388   H     0.26894   0.90570   0.75809   0.00000  Uiso   1.00
H389   H     0.23661   0.82545   0.76210   0.00000  Uiso   1.00
C654   C     0.16049   0.90787   0.85571   0.00000  Uiso   1.00
C656   C     0.11515   0.98397   0.88835   0.00000  Uiso   1.00
C658   C     0.20454   0.88846   0.81933   0.00000  Uiso   1.00
C679   C     0.23918   0.84555   0.77030   0.00000  Uiso   1.00
C681   C     0.09684   0.91439   0.89002   0.00000  Uiso   1.00
C682   C     0.25650   0.88868   0.76604   0.00000  Uiso   1.00
N196   N     0.29196   0.92618   0.98003   0.00000  Uiso   1.00
N197   N     0.27956   0.88249   0.96421   0.00000  Uiso   1.00
N198   N     0.24677   0.91182   0.98179   0.00000  Uiso   1.00
N199   N     0.18248   0.78009   0.97160   0.00000  Uiso   1.00
N200   N     0.13688   0.77063   0.98061   0.00000  Uiso   1.00
N201   N     0.15081   0.81461   0.98046   0.00000  Uiso   1.00
N202   N     0.42590   0.90288   0.94464   0.00000  Uiso   1.00
N203   N     0.41421   0.86033   0.92639   0.00000  Uiso   1.00
N204   N     0.45906   0.87906   0.92371   0.00000  Uiso   1.00
N208   N     0.22765   0.64885   0.97895   0.00000  Uiso   1.00
N209   N     0.22266   0.60400   0.98912   0.00000  Uiso   1.00
N210   N     0.18478   0.63158   0.98568   0.00000  Uiso   1.00
N211   N     0.10649   0.46753   0.99341   0.00000  Uiso   1.00
N212   N     0.10827   0.51302   0.99977   0.00000  Uiso   1.00
N213   N     0.14678   0.49120   0.98898   0.00000  Uiso   1.00
N220   N     0.55482   0.97491   0.95100   0.00000  Uiso   1.00
N223   N     0.50157   0.73028   0.82753   0.00000  Uiso   1.00
N224   N     0.46709   0.74862   0.85469   0.00000  Uiso   1.00
N225   N     0.50449   0.77536   0.84220   0.00000  Uiso   1.00
C688   C     0.40725   0.88376   0.93897   0.00000  Uiso   1.00
C689   C     0.44079   0.85877   0.91914   0.00000  Uiso   1.00
C690   C     0.45114   0.90046   0.93686   0.00000  Uiso   1.00
C694   C     0.19636   0.60799   0.98814   0.00000  Uiso   1.00
C695   C     0.20117   0.65216   0.98085   0.00000  Uiso   1.00
C696   C     0.25400   0.88839   0.97163   0.00000  Uiso   1.00
C697   C     0.13423   0.51358   0.99443   0.00000  Uiso   1.00
C698   C     0.16329   0.76299   0.97658   0.00000  Uiso   1.00
C699   C     0.29797   0.90134   0.96850   0.00000  Uiso   1.00
C701   C     0.26572   0.93100   0.98562   0.00000  Uiso   1.00
C702   C     0.17506   0.80649   0.97365   0.00000  Uiso   1.00
C704   C     0.52891   0.97945   0.95811   0.00000  Uiso   1.00
C705   C     0.48116   0.77207   0.85583   0.00000  Uiso   1.00
C707   C     0.18620   0.85508   0.97359   0.00000  Uiso   1.00
C713   C     0.20933   0.70152   0.97267   0.00000  Uiso   1.00
C714   C     0.19859   0.72776   0.97260   0.00000  Uiso   1.00
C715   C     0.15300   0.71377   0.97988   0.00000  Uiso   1.00
C716   C     0.16212   0.68661   0.97931   0.00000  Uiso   1.00
C717   C     0.20606   0.87497   0.97569   0.00000  Uiso   1.00
C718   C     0.19179   0.55956   0.99781   0.00000  Uiso   1.00
C719   C     0.17643   0.53639   0.99665   0.00000  Uiso   1.00
C720   C     0.13612   0.56440   0.99942   0.00000  Uiso   1.00
C721   C     0.15196   0.58753   0.99710   0.00000  Uiso   1.00
C722   C     0.51470   0.93570   0.93994   0.00000  Uiso   1.00
C723   C     0.49636   0.91469   0.93488   0.00000  Uiso   1.00
C724   C     0.46209   0.94471   0.95478   0.00000  Uiso   1.00
C725   C     0.48114   0.96483   0.95811   0.00000  Uiso   1.00
C732   C     0.44460   0.79365   0.88354   0.00000  Uiso   1.00
C733   C     0.43421   0.81546   0.89688   0.00000  Uiso   1.00
C734   C     0.47601   0.83788   0.88951   0.00000  Uiso   1.00
C735   C     0.48805   0.81636   0.87673   0.00000  Uiso   1.00
C736   C     0.23976   0.84187   0.96063   0.00000  Uiso   1.00
C737   C     0.33441   0.87131   0.95071   0.00000  Uiso   1.00
C738   C     0.34649   0.91577   0.96942   0.00000  Uiso   1.00
C739   C     0.37258   0.91248   0.95913   0.00000  Uiso   1.00
C740   C     0.36084   0.86873   0.94228   0.00000  Uiso   1.00
C741   C     0.22041   0.82108   0.96173   0.00000  Uiso   1.00
H407   H     0.18521   0.51587   0.99911   0.00000  Uiso   1.00
H408   H     0.11378   0.56741   0.99588   0.00000  Uiso   1.00
H410   H     0.14040   0.60677   0.99556   0.00000  Uiso   1.00
H411   H     0.53626   0.93226   0.93577   0.00000  Uiso   1.00
H412   H     0.50314   0.89594   0.92514   0.00000  Uiso   1.00
H413   H     0.23150   0.69793   0.97378   0.00000  Uiso   1.00
H414   H     0.44150   0.94661   0.96092   0.00000  Uiso   1.00
H416   H     0.47520   0.98313   0.96950   0.00000  Uiso   1.00
H417   H     0.21421   0.74284   0.96930   0.00000  Uiso   1.00
H422   H     0.13205   0.71619   0.98433   0.00000  Uiso   1.00
H424   H     0.14352   0.45044   0.98460   0.00000  Uiso   1.00
H428   H     0.14535   0.67313   0.98346   0.00000  Uiso   1.00
H432   H     0.11285   0.80447   0.99122   0.00000  Uiso   1.00
H433   H     0.43047   0.77619   0.88037   0.00000  Uiso   1.00
H434   H     0.16546   0.85915   0.97893   0.00000  Uiso   1.00
H435   H     0.41321   0.81498   0.90222   0.00000  Uiso   1.00
H436   H     0.48613   0.85668   0.88990   0.00000  Uiso   1.00
H437   H     0.25965   0.62422   0.98200   0.00000  Uiso   1.00
H438   H     0.51028   0.81744   0.87064   0.00000  Uiso   1.00
H442   H     0.25933   0.83446   0.95434   0.00000  Uiso   1.00
H443   H     0.20257   0.89525   0.98383   0.00000  Uiso   1.00
H444   H     0.59339   0.99139   0.95198   0.00000  Uiso   1.00
H445   H     0.34008   0.93369   0.98066   0.00000  Uiso   1.00
H446   H     0.32167   0.85333   0.94599   0.00000  Uiso   1.00
H448   H     0.38572   0.92874   0.96505   0.00000  Uiso   1.00
H449   H     0.53316   0.75672   0.81796   0.00000  Uiso   1.00
H450   H     0.46646   0.70908   0.83881   0.00000  Uiso   1.00
H451   H     0.22503   0.79901   0.95767   0.00000  Uiso   1.00
H452   H     0.21399   0.55477   0.99849   0.00000  Uiso   1.00
H453   H     0.37019   0.84938   0.93463   0.00000  Uiso   1.00
C742   C     0.45025   0.83703   0.90221   0.00000  Uiso   1.00
C743   C     0.47028   0.92085   0.94098   0.00000  Uiso   1.00
C744   C     0.17039   0.73492   0.97532   0.00000  Uiso   1.00
C745   C     0.47172   0.79341   0.87276   0.00000  Uiso   1.00
C746   C     0.18021   0.58575   0.99511   0.00000  Uiso   1.00
C750   C     0.32575   0.89481   0.96395   0.00000  Uiso   1.00
C751   C     0.19373   0.82792   0.96763   0.00000  Uiso   1.00
C753   C     0.25709   0.95534   0.99660   0.00000  Uiso   1.00
C754   C     0.50814   0.95988   0.95187   0.00000  Uiso   1.00
C755   C     0.38089   0.88842   0.94567   0.00000  Uiso   1.00
C756   C     0.19042   0.67980   0.97648   0.00000  Uiso   1.00
C758   C     0.14823   0.53831   0.99634   0.00000  Uiso   1.00
C759   C     0.23399   0.86819   0.96894   0.00000  Uiso   1.00
C761   C     0.23786   0.62476   0.98372   0.00000  Uiso   1.00
C763   C     0.57136   0.99412   0.95802   0.00000  Uiso   1.00
C766   C     0.47804   0.72793   0.84090   0.00000  Uiso   1.00
C768   C     0.09441   0.49020   0.99829   0.00000  Uiso   1.00
C769   C     0.13139   0.79734   0.98239   0.00000  Uiso   1.00
C770   C     0.13283   0.46885   0.98863   0.00000  Uiso   1.00
C771   C     0.51407   0.75466   0.82860   0.00000  Uiso   1.00
N226   N     0.50872   0.51085   0.99459   0.00000  Uiso   1.00
N227   N     0.55031   0.53129   0.98790   0.00000  Uiso   1.00
N228   N     0.54700   0.48392   0.99296   0.00000  Uiso   1.00
N238   N     0.53683   0.20327   0.97185   0.00000  Uiso   1.00
N239   N     0.49585   0.22429   0.98448   0.00000  Uiso   1.00
N240   N     0.53702   0.24936   0.98603   0.00000  Uiso   1.00
N248   N     0.59260   0.80043   0.99394   0.00000  Uiso   1.00
N253   N     0.68713   0.48858   0.96684   0.00000  Uiso   1.00
N254   N     0.68236   0.53395   0.95502   0.00000  Uiso   1.00
N255   N     0.72398   0.51280   0.94983   0.00000  Uiso   1.00
N262   N     0.13029   0.16924   0.96756   0.00000  Uiso   1.00
N263   N     0.15649   0.13477   0.94891   0.00000  Uiso   1.00
N264   N     0.17741   0.17210   0.96774   0.00000  Uiso   1.00
N265   N     0.43706   0.10161   0.93026   0.00000  Uiso   1.00
N266   N     0.47994   0.08556   0.92740   0.00000  Uiso   1.00
N267   N     0.44560   0.05588   0.91610   0.00000  Uiso   1.00
C775   C     0.50964   0.20300   0.97480   0.00000  Uiso   1.00
C776   C     0.50988   0.24737   0.98915   0.00000  Uiso   1.00
C778   C     0.56111   0.50731   0.98783   0.00000  Uiso   1.00
C781   C     0.52304   0.53227   0.99049   0.00000  Uiso   1.00
C785   C     0.52148   0.48678   0.99685   0.00000  Uiso   1.00
C791   C     0.67234   0.51050   0.96524   0.00000  Uiso   1.00
C797   C     0.17916   0.14895   0.95355   0.00000  Uiso   1.00
C798   C     0.15295   0.18036   0.97528   0.00000  Uiso   1.00
C799   C     0.46340   0.10626   0.93343   0.00000  Uiso   1.00
C800   C     0.47103   0.06221   0.91862   0.00000  Uiso   1.00
C804   C     0.48111   0.56098   0.99693   0.00000  Uiso   1.00
C806   C     0.51636   0.60542   0.99935   0.00000  Uiso   1.00
C807   C     0.52494   0.57918   0.98973   0.00000  Uiso   1.00
C829   C     0.57918   0.85658   0.99986   0.00000  Uiso   1.00
C831   C     0.60292   0.53159   0.97938   0.00000  Uiso   1.00
C832   C     0.62931   0.53309   0.97076   0.00000  Uiso   1.00
C833   C     0.63366   0.48523   0.98160   0.00000  Uiso   1.00
C834   C     0.60599   0.48308   0.98507   0.00000  Uiso   1.00
C838   C     0.45807   0.15141   0.95372   0.00000  Uiso   1.00
C839   C     0.46907   0.17457   0.96693   0.00000  Uiso   1.00
C840   C     0.51278   0.15764   0.95676   0.00000  Uiso   1.00
C841   C     0.50235   0.13432   0.94352   0.00000  Uiso   1.00
C844   C     0.17564   0.21912   0.99615   0.00000  Uiso   1.00
C847   C     0.12593   0.21509   0.99739   0.00000  Uiso   1.00
C853   C     0.51838   0.04844   0.91151   0.00000  Uiso   1.00
C854   C     0.53671   0.02839   0.90376   0.00000  Uiso   1.00
C856   C     0.49884   0.99906   0.89096   0.00000  Uiso   1.00
C857   C     0.47985   0.01916   0.89753   0.00000  Uiso   1.00
C858   C     0.22858   0.09763   0.92872   0.00000  Uiso   1.00
C859   C     0.20472   0.11151   0.93528   0.00000  Uiso   1.00
C860   C     0.23046   0.14968   0.95529   0.00000  Uiso   1.00
C861   C     0.25391   0.13611   0.94962   0.00000  Uiso   1.00
C862   C     0.25297   0.10870   0.93944   0.00000  Uiso   1.00
H454   H     0.62165   0.77035   0.98888   0.00000  Uiso   1.00
H456   H     0.54548   0.57930   0.98529   0.00000  Uiso   1.00
H462   H     0.59971   0.85047   0.99607   0.00000  Uiso   1.00
H468   H     0.58912   0.54910   0.97751   0.00000  Uiso   1.00
H470   H     0.63835   0.55296   0.96475   0.00000  Uiso   1.00
H472   H     0.64548   0.46602   0.98119   0.00000  Uiso   1.00
H473   H     0.59639   0.46342   0.99355   0.00000  Uiso   1.00
H474   H     0.72442   0.47062   0.96177   0.00000  Uiso   1.00
H477   H     0.71579   0.55427   0.94197   0.00000  Uiso   1.00
H479   H     0.43583   0.14968   0.95263   0.00000  Uiso   1.00
H481   H     0.45560   0.18774   0.97719   0.00000  Uiso   1.00
H483   H     0.53475   0.16075   0.95812   0.00000  Uiso   1.00
H484   H     0.51678   0.11877   0.93749   0.00000  Uiso   1.00
H494   H     0.19409   0.21029   0.99059   0.00000  Uiso   1.00
H499   H     0.10728   0.20512   0.99043   0.00000  Uiso   1.00
H500   H     0.11243   0.13790   0.94923   0.00000  Uiso   1.00
H501   H     0.57211   0.22771   0.97505   0.00000  Uiso   1.00
H504   H     0.40719   0.07477   0.92192   0.00000  Uiso   1.00
H506   H     0.46703   0.54525   0.99662   0.00000  Uiso   1.00
H510   H     0.52692   0.06969   0.91574   0.00000  Uiso   1.00
H512   H     0.55711   0.03502   0.90673   0.00000  Uiso   1.00
H514   H     0.54169   0.98682   0.88913   0.00000  Uiso   1.00
H516   H     0.48983   0.98114   0.88427   0.00000  Uiso   1.00
H518   H     0.45934   0.01413   0.89413   0.00000  Uiso   1.00
H519   H     0.27282   0.09779   0.93807   0.00000  Uiso   1.00
H520   H     0.22897   0.07794   0.92010   0.00000  Uiso   1.00
H521   H     0.18648   0.10108   0.92639   0.00000  Uiso   1.00
H523   H     0.23086   0.16925   0.96439   0.00000  Uiso   1.00
H525   H     0.27439   0.14469   0.95463   0.00000  Uiso   1.00
H531   H     0.52972   0.62267   0.99659   0.00000  Uiso   1.00
C873   C     0.49692   0.27126   0.99988   0.00000  Uiso   1.00
C874   C     0.50928   0.55664   0.99065   0.00000  Uiso   1.00
C877   C     0.49021   0.04366   0.91018   0.00000  Uiso   1.00
C880   C     0.64529   0.50958   0.97258   0.00000  Uiso   1.00
C883   C     0.20455   0.13665   0.94848   0.00000  Uiso   1.00
C886   C     0.49673   0.17915   0.96650   0.00000  Uiso   1.00
C890   C     0.15137   0.20513   0.98978   0.00000  Uiso   1.00
C894   C     0.58960   0.50704   0.98373   0.00000  Uiso   1.00
C895   C     0.47380   0.13059   0.94342   0.00000  Uiso   1.00
C897   C     0.42872   0.07748   0.92182   0.00000  Uiso   1.00
C899   C     0.70772   0.53379   0.94653   0.00000  Uiso   1.00
C904   C     0.13280   0.14653   0.95345   0.00000  Uiso   1.00
C906   C     0.71310   0.48925   0.95952   0.00000  Uiso   1.00
C907   C     0.60240   0.77538   0.99791   0.00000  Uiso   1.00
C908   C     0.54970   0.22725   0.97518   0.00000  Uiso   1.00
N355   N     0.19932   0.58995   0.91879   0.00000  Uiso   1.00
N356   N     0.15303   0.59663   0.91742   0.00000  Uiso   1.00
N357   N     0.17005   0.55304   0.92539   0.00000  Uiso   1.00
N358   N     0.32313   0.46321   0.95855   0.00000  Uiso   1.00
N359   N     0.30902   0.50610   0.94890   0.00000  Uiso   1.00
N360   N     0.27694   0.47070   0.95222   0.00000  Uiso   1.00
N361   N     0.04137   0.50604   0.95842   0.00000  Uiso   1.00
N362   N     0.02485   0.54990   0.95465   0.00000  Uiso   1.00
N364   N     0.22381   0.72920   0.90461   0.00000  Uiso   1.00
N365   N     0.20739   0.77133   0.90778   0.00000  Uiso   1.00
N366   N     0.17809   0.73695   0.90965   0.00000  Uiso   1.00
N367   N     0.24394   0.33583   0.97206   0.00000  Uiso   1.00
N368   N     0.25932   0.29016   0.97536   0.00000  Uiso   1.00
N369   N     0.29007   0.32542   0.97447   0.00000  Uiso   1.00
N370   N     0.01115   0.37038   0.96412   0.00000  Uiso   1.00
N375   N     0.36082   0.19427   0.99528   0.00000  Uiso   1.00
N376   N     0.37527   0.81915   0.85630   0.00000  Uiso   1.00
N377   N     0.33370   0.82824   0.87787   0.00000  Uiso   1.00
N378   N     0.34788   0.78395   0.86902   0.00000  Uiso   1.00
N382   N     0.13306   0.23674   0.93544   0.00000  Uiso   1.00
N383   N     0.11818   0.28105   0.94547   0.00000  Uiso   1.00
N384   N     0.08618   0.24591   0.93885   0.00000  Uiso   1.00
C1171  C     0.14965   0.56971   0.92314   0.00000  Uiso   1.00
C1172  C     0.17810   0.60617   0.91537   0.00000  Uiso   1.00
C1173  C     0.28306   0.49819   0.94959   0.00000  Uiso   1.00
C1174  C     0.19535   0.56414   0.92346   0.00000  Uiso   1.00
C1175  C     0.29712   0.45483   0.95857   0.00000  Uiso   1.00
C1176  C     0.04560   0.53168   0.95227   0.00000  Uiso   1.00
C1177  C     0.00072   0.54249   0.96300   0.00000  Uiso   1.00
C1178  C     0.01598   0.49938   0.96493   0.00000  Uiso   1.00
C1179  C     0.22838   0.75536   0.90556   0.00000  Uiso   1.00
C1180  C     0.18297   0.76280   0.90854   0.00000  Uiso   1.00
C1181  C     0.19868   0.71964   0.90788   0.00000  Uiso   1.00
C1182  C     0.28408   0.29857   0.97635   0.00000  Uiso   1.00
C1183  C     0.26971   0.34327   0.96959   0.00000  Uiso   1.00
C1185  C     0.00468   0.34460   0.95891   0.00000  Uiso   1.00
C1186  C     0.36464   0.22043   0.99795   0.00000  Uiso   1.00
C1187  C     0.35723   0.83738   0.86618   0.00000  Uiso   1.00
C1188  C     0.32984   0.80164   0.87546   0.00000  Uiso   1.00
C1189  C     0.37075   0.79225   0.85818   0.00000  Uiso   1.00
C1191  C     0.09188   0.27209   0.94505   0.00000  Uiso   1.00
C1192  C     0.24448   0.55880   0.92882   0.00000  Uiso   1.00
C1193  C     0.26501   0.54302   0.93993   0.00000  Uiso   1.00
C1196  C     0.02748   0.42372   0.96522   0.00000  Uiso   1.00
C1197  C     0.03292   0.45244   0.96372   0.00000  Uiso   1.00
C1198  C     0.09288   0.52284   0.94087   0.00000  Uiso   1.00
C1199  C     0.23378   0.50479   0.94234   0.00000  Uiso   1.00
C1204  C     0.21381   0.51998   0.93023   0.00000  Uiso   1.00
C1205  C     0.11744   0.53309   0.93029   0.00000  Uiso   1.00
C1206  C     0.30418   0.37979   0.96379   0.00000  Uiso   1.00
C1207  C     0.16635   0.68070   0.91153   0.00000  Uiso   1.00
C1208  C     0.35169   0.26858   0.99556   0.00000  Uiso   1.00
C1209  C     0.33277   0.28761   0.98569   0.00000  Uiso   1.00
C1210  C     0.29823   0.25253   0.98315   0.00000  Uiso   1.00
C1211  C     0.31711   0.23233   0.98955   0.00000  Uiso   1.00
C1212  C     0.16148   0.65285   0.91304   0.00000  Uiso   1.00
C1213  C     0.31088   0.40710   0.96330   0.00000  Uiso   1.00
C1214  C     0.28282   0.80730   0.89476   0.00000  Uiso   1.00
C1215  C     0.25790   0.79488   0.90065   0.00000  Uiso   1.00
C1216  C     0.27621   0.75065   0.89120   0.00000  Uiso   1.00
C1217  C     0.30075   0.76235   0.88567   0.00000  Uiso   1.00
C1218  C     0.20882   0.64481   0.90834   0.00000  Uiso   1.00
C1219  C     0.21398   0.67282   0.90882   0.00000  Uiso   1.00
C1220  C     0.26303   0.41815   0.96193   0.00000  Uiso   1.00
C1221  C     0.09956   0.57873   0.92541   0.00000  Uiso   1.00
C1222  C     0.35960   0.91258   0.88693   0.00000  Uiso   1.00
C1223  C     0.35009   0.88633   0.87986   0.00000  Uiso   1.00
C1224  C     0.39310   0.87495   0.85923   0.00000  Uiso   1.00
C1225  C     0.40364   0.90004   0.86709   0.00000  Uiso   1.00
C1226  C     0.38728   0.91864   0.88165   0.00000  Uiso   1.00
C1227  C     0.14597   0.82931   0.90240   0.00000  Uiso   1.00
C1228  C     0.16629   0.81016   0.90644   0.00000  Uiso   1.00
C1229  C     0.13374   0.77263   0.90727   0.00000  Uiso   1.00
C1230  C     0.11309   0.79289   0.90813   0.00000  Uiso   1.00
C1231  C     0.11941   0.82155   0.90302   0.00000  Uiso   1.00
C1232  C     0.01908   0.29759   0.95128   0.00000  Uiso   1.00
C1233  C     0.04216   0.28112   0.94972   0.00000  Uiso   1.00
C1234  C     0.07431   0.31745   0.94805   0.00000  Uiso   1.00
C1235  C     0.05159   0.33460   0.95074   0.00000  Uiso   1.00
C1236  C     0.07381   0.56898   0.93469   0.00000  Uiso   1.00
C1237  C     0.25582   0.39050   0.96220   0.00000  Uiso   1.00
C1238  C     0.40702   0.77932   0.82934   0.00000  Uiso   1.00
C1239  C     0.42252   0.75917   0.81494   0.00000  Uiso   1.00
C1240  C     0.41331   0.73201   0.81347   0.00000  Uiso   1.00
C1241  C     0.38934   0.72601   0.82887   0.00000  Uiso   1.00
C1242  C     0.37435   0.74476   0.84449   0.00000  Uiso   1.00
H683   H     0.33835   0.30814   0.98424   0.00000  Uiso   1.00
H684   H     0.28530   0.55063   0.94031   0.00000  Uiso   1.00
H685   H     0.27778   0.24805   0.97681   0.00000  Uiso   1.00
H686   H     0.34886   0.49587   0.95216   0.00000  Uiso   1.00
H687   H     0.31079   0.21236   0.98697   0.00000  Uiso   1.00
H689   H     0.14071   0.64563   0.91376   0.00000  Uiso   1.00
H690   H     0.37653   0.15454   0.99805   0.00000  Uiso   1.00
H691   H     0.28671   0.82914   0.89720   0.00000  Uiso   1.00
H692   H     0.08954   0.50054   0.94191   0.00000  Uiso   1.00
H693   H     0.24116   0.80943   0.90339   0.00000  Uiso   1.00
H694   H     0.23434   0.38296   0.96233   0.00000  Uiso   1.00
H695   H     0.27493   0.72823   0.89153   0.00000  Uiso   1.00
H696   H     0.00326   0.59506   0.95583   0.00000  Uiso   1.00
H697   H     0.31702   0.74977   0.87847   0.00000  Uiso   1.00
H699   H     0.33240   0.41139   0.95991   0.00000  Uiso   1.00
H700   H     0.22608   0.63121   0.90732   0.00000  Uiso   1.00
H703   H     0.23468   0.68097   0.90630   0.00000  Uiso   1.00
H704   H     0.24874   0.43471   0.96081   0.00000  Uiso   1.00
H706   H     0.39572   0.93828   0.88978   0.00000  Uiso   1.00
H708   H     0.34797   0.92745   0.89738   0.00000  Uiso   1.00
H710   H     0.32878   0.88397   0.88594   0.00000  Uiso   1.00
H712   H     0.40636   0.86145   0.84906   0.00000  Uiso   1.00
H713   H     0.42507   0.90398   0.86539   0.00000  Uiso   1.00
H714   H     0.22992   0.48459   0.94828   0.00000  Uiso   1.00
H715   H     0.10193   0.83472   0.90143   0.00000  Uiso   1.00
H716   H     0.15249   0.84989   0.89817   0.00000  Uiso   1.00
H717   H     0.21822   0.30242   0.97474   0.00000  Uiso   1.00
H718   H     0.18791   0.81694   0.90526   0.00000  Uiso   1.00
H719   H     0.13022   0.75120   0.90897   0.00000  Uiso   1.00
H720   H     0.24918   0.58085   0.93168   0.00000  Uiso   1.00
H721   H     0.09228   0.78619   0.91060   0.00000  Uiso   1.00
H722   H     0.19277   0.51360   0.93057   0.00000  Uiso   1.00
H723   H     0.13401   0.51984   0.92840   0.00000  Uiso   1.00
H725   H     0.03739   0.25974   0.95112   0.00000  Uiso   1.00
H726   H     0.04347   0.40894   0.95909   0.00000  Uiso   1.00
H727   H     0.09349   0.32563   0.94462   0.00000  Uiso   1.00
H728   H     0.05519   0.35563   0.95227   0.00000  Uiso   1.00
H729   H     0.10148   0.20764   0.93466   0.00000  Uiso   1.00
H730   H     0.10072   0.59850   0.91609   0.00000  Uiso   1.00
H731   H     0.15793   0.26887   0.94128   0.00000  Uiso   1.00
H733   H     0.05885   0.58460   0.93547   0.00000  Uiso   1.00
H734   H     0.14859   0.69385   0.91007   0.00000  Uiso   1.00
H735   H     0.41318   0.80043   0.83033   0.00000  Uiso   1.00
H736   H     0.32105   0.36603   0.96401   0.00000  Uiso   1.00
H737   H     0.44215   0.76256   0.80798   0.00000  Uiso   1.00
H738   H     0.05356   0.45855   0.95834   0.00000  Uiso   1.00
H739   H     0.42327   0.71634   0.80251   0.00000  Uiso   1.00
H741   H     0.37991   0.70498   0.82585   0.00000  Uiso   1.00
H742   H     0.35419   0.73967   0.85344   0.00000  Uiso   1.00
C1243  C     0.27656   0.37035   0.96405   0.00000  Uiso   1.00
C1244  C     0.30502   0.79140   0.88542   0.00000  Uiso   1.00
C1245  C     0.21790   0.54825   0.92602   0.00000  Uiso   1.00
C1246  C     0.07025   0.28941   0.94731   0.00000  Uiso   1.00
C1247  C     0.30442   0.28015   0.98148   0.00000  Uiso   1.00
C1248  C     0.36695   0.86546   0.86794   0.00000  Uiso   1.00
C1249  C     0.07040   0.54092   0.94331   0.00000  Uiso   1.00
C1250  C     0.29064   0.42702   0.96175   0.00000  Uiso   1.00
C1251  C     0.02462   0.32494   0.95391   0.00000  Uiso   1.00
C1252  C     0.34376   0.24032   0.99550   0.00000  Uiso   1.00
C1255  C     0.25431   0.76665   0.89954   0.00000  Uiso   1.00
C1256  C     0.26106   0.51565   0.94407   0.00000  Uiso   1.00
C1257  C     0.19216   0.69077   0.90912   0.00000  Uiso   1.00
C1258  C     0.16075   0.78175   0.90980   0.00000  Uiso   1.00
C1259  C     0.00031   0.41566   0.97412   0.00000  Uiso   1.00
C1260  C     0.18287   0.63400   0.91159   0.00000  Uiso   1.00
C1261  C     0.12191   0.56050   0.92542   0.00000  Uiso   1.00
C1262  C     0.01106   0.47173   0.96817   0.00000  Uiso   1.00
C1263  C     0.38462   0.77107   0.84448   0.00000  Uiso   1.00
C1264  C     0.32793   0.48844   0.95219   0.00000  Uiso   1.00
C1268  C     0.38136   0.17664   0.99762   0.00000  Uiso   1.00
C1269  C     0.10692   0.22924   0.93477   0.00000  Uiso   1.00
C1270  C     0.23906   0.30889   0.97463   0.00000  Uiso   1.00
C1272  C     0.13774   0.26296   0.94059   0.00000  Uiso   1.00
H832   H     0.02223   0.62815   0.98688   0.00000  Uiso   1.00
N439   N     0.47001   0.45495   0.93853   0.00000  Uiso   1.00
N440   N     0.51643   0.46139   0.93570   0.00000  Uiso   1.00
N441   N     0.49884   0.41776   0.94240   0.00000  Uiso   1.00
N442   N     0.45059   0.58881   0.90020   0.00000  Uiso   1.00
N443   N     0.49746   0.59503   0.89736   0.00000  Uiso   1.00
N444   N     0.46855   0.63008   0.88705   0.00000  Uiso   1.00
N445   N     0.36118   0.37921   0.90051   0.00000  Uiso   1.00
N446   N     0.39280   0.34371   0.89415   0.00000  Uiso   1.00
N447   N     0.34962   0.34295   0.87282   0.00000  Uiso   1.00
N448   N     0.65143   0.40702   0.94740   0.00000  Uiso   1.00
N449   N     0.62672   0.36716   0.95491   0.00000  Uiso   1.00
N450   N     0.67422   0.36721   0.95974   0.00000  Uiso   1.00
N451   N     0.65515   0.19101   0.99768   0.00000  Uiso   1.00
N452   N     0.63097   0.23033   0.98874   0.00000  Uiso   1.00
N453   N     0.67774   0.23223   0.99568   0.00000  Uiso   1.00
N454   N     0.63163   0.71592   0.87464   0.00000  Uiso   1.00
N455   N     0.58446   0.70974   0.87409   0.00000  Uiso   1.00
N456   N     0.61442   0.67368   0.87949   0.00000  Uiso   1.00
N457   N     0.79460   0.64923   0.90365   0.00000  Uiso   1.00
N458   N     0.76202   0.67995   0.89382   0.00000  Uiso   1.00
N459   N     0.74960   0.63507   0.90129   0.00000  Uiso   1.00
N460   N     0.56186   0.84421   0.85122   0.00000  Uiso   1.00
N461   N     0.57512   0.88492   0.83296   0.00000  Uiso   1.00
N462   N     0.60669   0.84902   0.83946   0.00000  Uiso   1.00
N463   N     0.80865   0.47143   0.87637   0.00000  Uiso   1.00
N464   N     0.82467   0.51411   0.88889   0.00000  Uiso   1.00
N465   N     0.77971   0.50291   0.89672   0.00000  Uiso   1.00
N466   N     0.39244   0.22496   0.79942   0.00000  Uiso   1.00
N467   N     0.43021   0.19516   0.79203   0.00000  Uiso   1.00
N468   N     0.43425   0.23057   0.82347   0.00000  Uiso   1.00
N469   N     0.65176   0.37592   0.87290   0.00000  Uiso   1.00
N470   N     0.69514   0.38638   0.85700   0.00000  Uiso   1.00
N471   N     0.67349   0.41548   0.88657   0.00000  Uiso   1.00
N472   N     0.29496   0.67429   0.86951   0.00000  Uiso   1.00
N473   N     0.34138   0.68174   0.87149   0.00000  Uiso   1.00
N474   N     0.32430   0.63991   0.88397   0.00000  Uiso   1.00
C1435  C     0.51934   0.43516   0.93861   0.00000  Uiso   1.00
C1436  C     0.47618   0.58028   0.90360   0.00000  Uiso   1.00
C1437  C     0.49100   0.47168   0.93428   0.00000  Uiso   1.00
C1438  C     0.49286   0.61966   0.88878   0.00000  Uiso   1.00
C1439  C     0.47452   0.42859   0.94085   0.00000  Uiso   1.00
C1440  C     0.44784   0.61426   0.89230   0.00000  Uiso   1.00
C1441  C     0.38589   0.36761   0.90541   0.00000  Uiso   1.00
C1442  C     0.37440   0.33268   0.87642   0.00000  Uiso   1.00
C1443  C     0.62730   0.39444   0.95166   0.00000  Uiso   1.00
C1444  C     0.65036   0.35465   0.96115   0.00000  Uiso   1.00
C1445  C     0.65372   0.24358   0.98990   0.00000  Uiso   1.00
C1446  C     0.67786   0.20471   0.99875   0.00000  Uiso   1.00
C1447  C     0.60710   0.72553   0.87214   0.00000  Uiso   1.00
C1448  C     0.58879   0.68342   0.87817   0.00000  Uiso   1.00
C1449  C     0.63525   0.68998   0.87817   0.00000  Uiso   1.00
C1450  C     0.74359   0.66070   0.89528   0.00000  Uiso   1.00
C1451  C     0.77609   0.62941   0.90446   0.00000  Uiso   1.00
C1452  C     0.58652   0.83459   0.84880   0.00000  Uiso   1.00
C1453  C     0.82850   0.48986   0.87766   0.00000  Uiso   1.00
C1454  C     0.80043   0.52009   0.89917   0.00000  Uiso   1.00
C1455  C     0.78459   0.47808   0.88629   0.00000  Uiso   1.00
C1456  C     0.40769   0.23761   0.81835   0.00000  Uiso   1.00
C1457  C     0.69431   0.40898   0.87164   0.00000  Uiso   1.00
C1458  C     0.34449   0.65665   0.88002   0.00000  Uiso   1.00
C1459  C     0.62537   0.31243   0.97323   0.00000  Uiso   1.00
C1460  C     0.62694   0.28462   0.97911   0.00000  Uiso   1.00
C1461  C     0.45570   0.53719   0.91563   0.00000  Uiso   1.00
C1462  C     0.50524   0.54237   0.91706   0.00000  Uiso   1.00
C1463  C     0.50876   0.51528   0.92320   0.00000  Uiso   1.00
C1464  C     0.51445   0.66421   0.87648   0.00000  Uiso   1.00
C1465  C     0.53864   0.67938   0.87223   0.00000  Uiso   1.00
C1466  C     0.56540   0.63939   0.88094   0.00000  Uiso   1.00
C1467  C     0.54124   0.62343   0.88786   0.00000  Uiso   1.00
C1468  C     0.57782   0.38811   0.94829   0.00000  Uiso   1.00
C1469  C     0.68302   0.70228   0.87952   0.00000  Uiso   1.00
C1470  C     0.71057   0.69523   0.88184   0.00000  Uiso   1.00
C1471  C     0.69683   0.64933   0.88923   0.00000  Uiso   1.00
C1472  C     0.66917   0.65579   0.88354   0.00000  Uiso   1.00
C1473  C     0.55178   0.39760   0.94612   0.00000  Uiso   1.00
C1474  C     0.81603   0.56623   0.90812   0.00000  Uiso   1.00
C1475  C     0.81066   0.59388   0.91008   0.00000  Uiso   1.00
C1476  C     0.76323   0.58371   0.91388   0.00000  Uiso   1.00
C1477  C     0.76820   0.55507   0.91272   0.00000  Uiso   1.00
C1483  C     0.61893   0.79851   0.85737   0.00000  Uiso   1.00
C1484  C     0.62427   0.77100   0.86296   0.00000  Uiso   1.00
C1485  C     0.57513   0.76117   0.86324   0.00000  Uiso   1.00
C1486  C     0.57030   0.78970   0.86190   0.00000  Uiso   1.00
C1487  C     0.56898   0.44198   0.93524   0.00000  Uiso   1.00
C1488  C     0.59639   0.43246   0.93787   0.00000  Uiso   1.00
C1489  C     0.45941   0.51011   0.92618   0.00000  Uiso   1.00
C1490  C     0.40179   0.40689   0.93221   0.00000  Uiso   1.00
C1491  C     0.67570   0.28677   0.98470   0.00000  Uiso   1.00
C1492  C     0.36341   0.29691   0.84313   0.00000  Uiso   1.00
C1493  C     0.37112   0.27177   0.83224   0.00000  Uiso   1.00
C1494  C     0.41459   0.27274   0.85145   0.00000  Uiso   1.00
C1495  C     0.40683   0.29532   0.86661   0.00000  Uiso   1.00
C1496  C     0.87650   0.50003   0.86883   0.00000  Uiso   1.00
C1497  C     0.90134   0.49218   0.85887   0.00000  Uiso   1.00
C1498  C     0.90639   0.46695   0.84753   0.00000  Uiso   1.00
C1499  C     0.88435   0.45032   0.84499   0.00000  Uiso   1.00
C1500  C     0.85847   0.45771   0.85545   0.00000  Uiso   1.00
C1501  C     0.73737   0.46531   0.89648   0.00000  Uiso   1.00
C1502  C     0.71498   0.44937   0.89048   0.00000  Uiso   1.00
C1503  C     0.74432   0.41793   0.86696   0.00000  Uiso   1.00
C1504  C     0.76642   0.43473   0.87027   0.00000  Uiso   1.00
C1505  C     0.40021   0.60798   0.89435   0.00000  Uiso   1.00
C1506  C     0.37416   0.61800   0.89099   0.00000  Uiso   1.00
C1507  C     0.39275   0.66339   0.88078   0.00000  Uiso   1.00
C1508  C     0.41915   0.65237   0.88289   0.00000  Uiso   1.00
C1509  C     0.42447   0.42246   0.94025   0.00000  Uiso   1.00
C1510  C     0.45377   0.38298   0.93880   0.00000  Uiso   1.00
C1511  C     0.67420   0.31357   0.97608   0.00000  Uiso   1.00
C1512  C     0.43109   0.36851   0.92725   0.00000  Uiso   1.00
H837   H     0.75025   0.54203   0.91490   0.00000  Uiso   1.00
H839   H     0.58572   0.63197   0.88252   0.00000  Uiso   1.00
H841   H     0.61228   0.19325   0.99478   0.00000  Uiso   1.00
H843   H     0.54136   0.60078   0.89083   0.00000  Uiso   1.00
H844   H     0.68632   0.15068   0.99975   0.00000  Uiso   1.00
H846   H     0.63448   0.81365   0.85363   0.00000  Uiso   1.00
H847   H     0.60482   0.31984   0.97140   0.00000  Uiso   1.00
H848   H     0.64603   0.76521   0.86314   0.00000  Uiso   1.00
H849   H     0.69354   0.40025   0.94646   0.00000  Uiso   1.00
H850   H     0.55864   0.74635   0.86553   0.00000  Uiso   1.00
H851   H     0.58160   0.36711   0.95525   0.00000  Uiso   1.00
H852   H     0.54938   0.79623   0.86218   0.00000  Uiso   1.00
H853   H     0.52911   0.50807   0.92413   0.00000  Uiso   1.00
H854   H     0.53636   0.87405   0.84400   0.00000  Uiso   1.00
H855   H     0.56551   0.46290   0.93287   0.00000  Uiso   1.00
H856   H     0.61518   0.88990   0.82794   0.00000  Uiso   1.00
H857   H     0.52158   0.55486   0.91179   0.00000  Uiso   1.00
H858   H     0.61313   0.44644   0.93742   0.00000  Uiso   1.00
H859   H     0.67798   0.72280   0.87944   0.00000  Uiso   1.00
H860   H     0.43495   0.54474   0.91160   0.00000  Uiso   1.00
H861   H     0.72374   0.71256   0.88387   0.00000  Uiso   1.00
H862   H     0.34319   0.30411   0.84013   0.00000  Uiso   1.00
H863   H     0.60905   0.27120   0.97969   0.00000  Uiso   1.00
H864   H     0.35584   0.26067   0.82001   0.00000  Uiso   1.00
H865   H     0.70151   0.62994   0.89834   0.00000  Uiso   1.00
H866   H     0.43407   0.26384   0.85367   0.00000  Uiso   1.00
H867   H     0.42198   0.30575   0.87832   0.00000  Uiso   1.00
H868   H     0.65470   0.64132   0.88002   0.00000  Uiso   1.00
H869   H     0.87521   0.51971   0.87759   0.00000  Uiso   1.00
H870   H     0.91961   0.50533   0.85956   0.00000  Uiso   1.00
H871   H     0.49412   0.67289   0.87615   0.00000  Uiso   1.00
H872   H     0.92584   0.46268   0.83917   0.00000  Uiso   1.00
H873   H     0.88891   0.43139   0.83718   0.00000  Uiso   1.00
H874   H     0.80474   0.68847   0.89676   0.00000  Uiso   1.00
H875   H     0.84138   0.44313   0.85014   0.00000  Uiso   1.00
H876   H     0.53565   0.38260   0.95158   0.00000  Uiso   1.00
H877   H     0.73367   0.48224   0.90983   0.00000  Uiso   1.00
H878   H     0.32587   0.37590   0.87755   0.00000  Uiso   1.00
H879   H     0.69324   0.45101   0.89889   0.00000  Uiso   1.00
H880   H     0.74878   0.39708   0.85855   0.00000  Uiso   1.00
H881   H     0.78504   0.42636   0.86209   0.00000  Uiso   1.00
H882   H     0.44125   0.49676   0.92950   0.00000  Uiso   1.00
H883   H     0.40359   0.58488   0.89233   0.00000  Uiso   1.00
H884   H     0.83755   0.56095   0.90465   0.00000  Uiso   1.00
H885   H     0.35551   0.60384   0.89276   0.00000  Uiso   1.00
H886   H     0.53386   0.69979   0.86807   0.00000  Uiso   1.00
H887   H     0.39165   0.68494   0.87683   0.00000  Uiso   1.00
H888   H     0.82849   0.60759   0.90868   0.00000  Uiso   1.00
H889   H     0.43850   0.66470   0.87872   0.00000  Uiso   1.00
H890   H     0.38148   0.41539   0.93150   0.00000  Uiso   1.00
H891   H     0.39030   0.19181   0.77323   0.00000  Uiso   1.00
H892   H     0.46612   0.20513   0.81135   0.00000  Uiso   1.00
H893   H     0.41956   0.44344   0.94322   0.00000  Uiso   1.00
H894   H     0.69468   0.27642   0.98964   0.00000  Uiso   1.00
H895   H     0.63251   0.40143   0.89733   0.00000  Uiso   1.00
H896   H     0.67438   0.34862   0.85005   0.00000  Uiso   1.00
H897   H     0.74277   0.59042   0.91584   0.00000  Uiso   1.00
H898   H     0.47471   0.37716   0.93966   0.00000  Uiso   1.00
H899   H     0.28317   0.63579   0.88250   0.00000  Uiso   1.00
H900   H     0.31062   0.71031   0.86091   0.00000  Uiso   1.00
H901   H     0.43491   0.34904   0.91745   0.00000  Uiso   1.00
H902   H     0.69291   0.32618   0.97741   0.00000  Uiso   1.00
C1513  C     0.65266   0.27188   0.98546   0.00000  Uiso   1.00
C1514  C     0.76354   0.45902   0.88515   0.00000  Uiso   1.00
C1516  C     0.38174   0.30886   0.86149   0.00000  Uiso   1.00
C1517  C     0.51633   0.63577   0.88482   0.00000  Uiso   1.00
C1518  C     0.59232   0.80801   0.85549   0.00000  Uiso   1.00
C1519  C     0.37042   0.64645   0.88588   0.00000  Uiso   1.00
C1520  C     0.66189   0.68283   0.88106   0.00000  Uiso   1.00
C1521  C     0.60113   0.40489   0.94409   0.00000  Uiso   1.00
C1522  C     0.79511   0.54686   0.90754   0.00000  Uiso   1.00
C1523  C     0.42217   0.62487   0.89055   0.00000  Uiso   1.00
C1524  C     0.78408   0.60269   0.91004   0.00000  Uiso   1.00
C1525  C     0.71738   0.66874   0.88956   0.00000  Uiso   1.00
C1526  C     0.60230   0.75266   0.86640   0.00000  Uiso   1.00
C1527  C     0.85432   0.48330   0.86702   0.00000  Uiso   1.00
C1528  C     0.47891   0.55365   0.91213   0.00000  Uiso   1.00
C1529  C     0.45086   0.41150   0.94156   0.00000  Uiso   1.00
C1530  C     0.56442   0.66707   0.87811   0.00000  Uiso   1.00
C1531  C     0.39806   0.26010   0.83401   0.00000  Uiso   1.00
C1532  C     0.71800   0.42526   0.87562   0.00000  Uiso   1.00
C1533  C     0.54607   0.42521   0.93935   0.00000  Uiso   1.00
C1534  C     0.64900   0.32719   0.96955   0.00000  Uiso   1.00
C1535  C     0.48590   0.49883   0.92857   0.00000  Uiso   1.00
C1536  C     0.40621   0.38010   0.92327   0.00000  Uiso   1.00
C1537  C     0.78756   0.67421   0.89864   0.00000  Uiso   1.00
C1538  C     0.40529   0.20339   0.78640   0.00000  Uiso   1.00
C1539  C     0.34430   0.36670   0.88395   0.00000  Uiso   1.00
C1540  C     0.65099   0.39933   0.88587   0.00000  Uiso   1.00
C1541  C     0.55692   0.86950   0.84328   0.00000  Uiso   1.00
C1542  C     0.63118   0.20380   0.99183   0.00000  Uiso   1.00
C1543  C     0.31679   0.69044   0.86574   0.00000  Uiso   1.00
C1544  C     0.67367   0.39215   0.95051   0.00000  Uiso   1.00
C1545  C     0.44381   0.20929   0.81020   0.00000  Uiso   1.00
C1546  C     0.67443   0.36991   0.85915   0.00000  Uiso   1.00
C1547  C     0.60005   0.87478   0.83303   0.00000  Uiso   1.00
C1548  C     0.29925   0.64800   0.87701   0.00000  Uiso   1.00
N4     N     0.72940   0.81593   0.98812   0.00000  Uiso   1.00
N7     N     0.86685   0.79539   0.96762   0.00000  Uiso   1.00
N8     N     0.90456   0.76742   0.96650   0.00000  Uiso   1.00
N9     N     0.86378   0.75214   0.98364   0.00000  Uiso   1.00
N13    N     0.66822   0.94181   0.96203   0.00000  Uiso   1.00
N14    N     0.63316   0.97210   0.96683   0.00000  Uiso   1.00
N15    N     0.63287   0.93052   0.98714   0.00000  Uiso   1.00
N28    N     0.95479   0.89948   0.93975   0.00000  Uiso   1.00
N29    N     0.99038   0.87174   0.93187   0.00000  Uiso   1.00
N30    N     0.99725   0.91823   0.93506   0.00000  Uiso   1.00
C1     C     0.89210   0.79013   0.96185   0.00000  Uiso   1.00
C2     C     0.88942   0.74795   0.97645   0.00000  Uiso   1.00
C3     C     0.85230   0.77514   0.97683   0.00000  Uiso   1.00
C7     C     0.65684   0.96484   0.95618   0.00000  Uiso   1.00
C8     C     0.65575   0.92383   0.97627   0.00000  Uiso   1.00
C12    C     0.73908   0.79210   0.99644   0.00000  Uiso   1.00
C19    C     0.70451   0.82110   0.99595   0.00000  Uiso   1.00
C25    C     0.96441   0.87489   0.93577   0.00000  Uiso   1.00
C27    C     0.91758   0.85730   0.93973   0.00000  Uiso   1.00
C28    C     0.95462   0.82715   0.93565   0.00000  Uiso   1.00
C29    C     0.93659   0.80569   0.94352   0.00000  Uiso   1.00
C30    C     0.92802   0.72027   0.98002   0.00000  Uiso   1.00
C31    C     0.94198   0.69642   0.98847   0.00000  Uiso   1.00
C39    C     0.80770   0.75874   0.99457   0.00000  Uiso   1.00
C49    C     0.77969   0.76256   0.99857   0.00000  Uiso   1.00
C52    C     0.81054   0.80488   0.97410   0.00000  Uiso   1.00
C66    C     0.69310   0.89322   0.97155   0.00000  Uiso   1.00
C72    C     0.70593   0.86780   0.97766   0.00000  Uiso   1.00
C81    C     0.70043   0.97961   0.93898   0.00000  Uiso   1.00
C95    C     0.78284   0.80791   0.98059   0.00000  Uiso   1.00
C96    C     0.90123   0.83665   0.94714   0.00000  Uiso   1.00
H3     H     0.88091   0.84368   0.95033   0.00000  Uiso   1.00
H11    H     0.96386   0.69619   0.98758   0.00000  Uiso   1.00
H13    H     0.97685   0.82202   0.93425   0.00000  Uiso   1.00
H19    H     0.82327   0.82007   0.96555   0.00000  Uiso   1.00
H22    H     0.90943   0.87742   0.94336   0.00000  Uiso   1.00
H25    H     0.70368   0.90715   0.95885   0.00000  Uiso   1.00
H31    H     0.94537   0.78690   0.94701   0.00000  Uiso   1.00
H36    H     0.72569   0.86435   0.96714   0.00000  Uiso   1.00
H51    H     0.70829   0.95852   0.94186   0.00000  Uiso   1.00
H52    H     0.74152   0.99688   0.93143   0.00000  Uiso   1.00
H59    H     0.60199   0.95987   0.99105   0.00000  Uiso   1.00
H61    H     0.96634   0.94250   0.94514   0.00000  Uiso   1.00
H70    H     0.77332   0.82835   0.97622   0.00000  Uiso   1.00
H76    H     0.93903   0.73615   0.96936   0.00000  Uiso   1.00
C100   C     0.90926   0.81083   0.95102   0.00000  Uiso   1.00
C108   C     0.67298   0.98492   0.94304   0.00000  Uiso   1.00
C109   C     0.76660   0.78691   0.99078   0.00000  Uiso   1.00
C110   C     0.69344   0.84676   0.99281   0.00000  Uiso   1.00
C118   C     0.90154   0.72402   0.98518   0.00000  Uiso   1.00
C119   C     0.66823   0.89867   0.98186   0.00000  Uiso   1.00
C120   C     0.94549   0.85363   0.93325   0.00000  Uiso   1.00
C122   C     0.82388   0.78056   0.98359   0.00000  Uiso   1.00
C124   C     0.62064   0.95322   0.98075   0.00000  Uiso   1.00
C127   C     0.97171   0.92072   0.94085   0.00000  Uiso   1.00
N46    N     0.97091   0.39255   0.90814   0.00000  Uiso   1.00
N47    N     0.92402   0.39503   0.92028   0.00000  Uiso   1.00
N48    N     0.94228   0.35634   0.90050   0.00000  Uiso   1.00
N55    N     0.80099   0.26754   0.96383   0.00000  Uiso   1.00
N56    N     0.83939   0.27443   0.93619   0.00000  Uiso   1.00
N57    N     0.81754   0.31047   0.95858   0.00000  Uiso   1.00
C135   C     0.92140   0.37002   0.91063   0.00000  Uiso   1.00
C136   C     0.96718   0.36756   0.89842   0.00000  Uiso   1.00
C142   C     0.82025   0.25833   0.94733   0.00000  Uiso   1.00
C143   C     0.83642   0.30083   0.94182   0.00000  Uiso   1.00
C144   C     0.80000   0.29313   0.96874   0.00000  Uiso   1.00
C157   C     0.98590   0.32514   0.88581   0.00000  Uiso   1.00
C164   C     0.85431   0.34730   0.93620   0.00000  Uiso   1.00
C165   C     0.87395   0.36406   0.92564   0.00000  Uiso   1.00
C166   C     0.89563   0.32916   0.90241   0.00000  Uiso   1.00
C167   C     0.87787   0.30987   0.91387   0.00000  Uiso   1.00
C196   C     0.77719   0.33315   0.98738   0.00000  Uiso   1.00
C215   C     0.80470   0.21212   0.95440   0.00000  Uiso   1.00
C216   C     0.80537   0.18445   0.94653   0.00000  Uiso   1.00
C217   C     0.82304   0.17527   0.92740   0.00000  Uiso   1.00
C218   C     0.83955   0.19364   0.91406   0.00000  Uiso   1.00
C219   C     0.84077   0.22034   0.92254   0.00000  Uiso   1.00
H81    H     0.83856   0.35576   0.94879   0.00000  Uiso   1.00
H85    H     0.87383   0.38519   0.93215   0.00000  Uiso   1.00
H90    H     0.91252   0.32125   0.89058   0.00000  Uiso   1.00
H93    H     0.87764   0.28926   0.90460   0.00000  Uiso   1.00
H108   H     0.96493   0.31704   0.88868   0.00000  Uiso   1.00
H111   H     0.78966   0.34593   0.97626   0.00000  Uiso   1.00
H128   H     0.95142   0.42666   0.92613   0.00000  Uiso   1.00
H142   H     0.78891   0.22005   0.96632   0.00000  Uiso   1.00
H144   H     0.79032   0.17175   0.95760   0.00000  Uiso   1.00
H146   H     0.82477   0.15503   0.92098   0.00000  Uiso   1.00
H148   H     0.85583   0.18701   0.89906   0.00000  Uiso   1.00
H150   H     0.85547   0.23357   0.91294   0.00000  Uiso   1.00
C220   C     0.85615   0.31920   0.93107   0.00000  Uiso   1.00
C225   C     0.98988   0.35246   0.88993   0.00000  Uiso   1.00
C237   C     0.89636   0.35636   0.91054   0.00000  Uiso   1.00
C241   C     0.77841   0.30425   0.98468   0.00000  Uiso   1.00
C244   C     0.82292   0.23102   0.94270   0.00000  Uiso   1.00
C246   C     0.94893   0.40538   0.91788   0.00000  Uiso   1.00
N85    N     0.48308   0.80660   0.95133   0.00000  Uiso   1.00
N86    N     0.52654   0.80013   0.93519   0.00000  Uiso   1.00
N87    N     0.49571   0.76528   0.92920   0.00000  Uiso   1.00
C256   C     0.50763   0.81537   0.94660   0.00000  Uiso   1.00
C257   C     0.51989   0.77642   0.92534   0.00000  Uiso   1.00
H178   H     0.51493   0.83563   0.95209   0.00000  Uiso   1.00
H180   H     0.53643   0.76455   0.91442   0.00000  Uiso   1.00
H185   H     0.98347   0.67794   0.92850   0.00000  Uiso   1.00
N363   N     0.99610   0.51750   0.96930   0.00000  Uiso   1.00
N371   N     0.96781   0.38117   0.97621   0.00000  Uiso   1.00
N372   N     0.97831   0.33699   0.96426   0.00000  Uiso   1.00
N379   N     0.88856   0.60347   0.96745   0.00000  Uiso   1.00
N380   N     0.91768   0.63767   0.95184   0.00000  Uiso   1.00
N381   N     0.87088   0.64527   0.95130   0.00000  Uiso   1.00
C1184  C     0.99327   0.38788   0.97235   0.00000  Uiso   1.00
C1190  C     0.91340   0.61393   0.96361   0.00000  Uiso   1.00
C1194  C     0.98443   0.46229   0.97551   0.00000  Uiso   1.00
C1195  C     0.98004   0.43472   0.97949   0.00000  Uiso   1.00
C1200  C     0.98213   0.58862   0.95980   0.00000  Uiso   1.00
C1201  C     0.96158   0.60744   0.96290   0.00000  Uiso   1.00
C1202  C     0.93279   0.57131   0.97883   0.00000  Uiso   1.00
C1203  C     0.95381   0.55223   0.97430   0.00000  Uiso   1.00
H698   H     0.96636   0.47297   0.98175   0.00000  Uiso   1.00
H701   H     0.96607   0.62993   0.95857   0.00000  Uiso   1.00
H702   H     0.84647   0.61062   0.96341   0.00000  Uiso   1.00
H705   H     0.89758   0.67341   0.93870   0.00000  Uiso   1.00
H707   H     0.91334   0.56270   0.98417   0.00000  Uiso   1.00
H709   H     0.96146   0.42575   0.98599   0.00000  Uiso   1.00
H711   H     0.95047   0.53239   0.98055   0.00000  Uiso   1.00
H724   H     0.99938   0.28918   0.95550   0.00000  Uiso   1.00
H732   H     0.94036   0.34887   0.97594   0.00000  Uiso   1.00
C1253  C     0.97849   0.56090   0.96489   0.00000  Uiso   1.00
C1254  C     0.93584   0.59867   0.97031   0.00000  Uiso   1.00
C1265  C     0.89643   0.65394   0.94741   0.00000  Uiso   1.00
C1266  C     0.95998   0.35556   0.96990   0.00000  Uiso   1.00
C1271  C     0.86760   0.61998   0.96210   0.00000  Uiso   1.00
N475   N     0.61076   0.53612   0.89326   0.00000  Uiso   1.00
N476   N     0.65302   0.55892   0.88880   0.00000  Uiso   1.00
N477   N     0.64853   0.51463   0.87454   0.00000  Uiso   1.00
N478   N     0.59823   0.67216   0.94200   0.00000  Uiso   1.00
N479   N     0.55560   0.65231   0.94770   0.00000  Uiso   1.00
N480   N     0.56099   0.69838   0.95011   0.00000  Uiso   1.00
N481   N     0.77483   0.50569   0.82221   0.00000  Uiso   1.00
N482   N     0.78269   0.54937   0.83489   0.00000  Uiso   1.00
N483   N     0.81597   0.52520   0.81096   0.00000  Uiso   1.00
N484   N     0.67556   0.78869   0.92628   0.00000  Uiso   1.00
N485   N     0.67762   0.83416   0.91401   0.00000  Uiso   1.00
N486   N     0.63497   0.81295   0.92255   0.00000  Uiso   1.00
N488   N     0.42876   0.71154   0.99709   0.00000  Uiso   1.00
N489   N     0.41858   0.66969   0.98146   0.00000  Uiso   1.00
N490   N     0.51800   0.38451   0.84959   0.00000  Uiso   1.00
N491   N     0.52723   0.42905   0.86328   0.00000  Uiso   1.00
N492   N     0.56361   0.40007   0.85035   0.00000  Uiso   1.00
N496   N     0.83506   0.38138   0.80049   0.00000  Uiso   1.00
N497   N     0.87412   0.40250   0.78810   0.00000  Uiso   1.00
N498   N     0.87356   0.35627   0.79905   0.00000  Uiso   1.00
C1549  C     0.66341   0.53658   0.87899   0.00000  Uiso   1.00
C1550  C     0.58310   0.64993   0.94370   0.00000  Uiso   1.00
C1551  C     0.62688   0.55726   0.89750   0.00000  Uiso   1.00
C1552  C     0.54470   0.67656   0.95080   0.00000  Uiso   1.00
C1553  C     0.62236   0.51431   0.88232   0.00000  Uiso   1.00
C1554  C     0.58673   0.69543   0.94521   0.00000  Uiso   1.00
C1555  C     0.76753   0.52920   0.83288   0.00000  Uiso   1.00
C1556  C     0.80694   0.54683   0.82382   0.00000  Uiso   1.00
C1557  C     0.79947   0.50412   0.81101   0.00000  Uiso   1.00
C1558  C     0.65031   0.83486   0.91631   0.00000  Uiso   1.00
C1559  C     0.64808   0.78996   0.92820   0.00000  Uiso   1.00
C1561  C     0.43622   0.68948   0.98526   0.00000  Uiso   1.00
C1562  C     0.39370   0.67238   0.99243   0.00000  Uiso   1.00
C1563  C     0.55409   0.42416   0.86053   0.00000  Uiso   1.00
C1566  C     0.84743   0.40400   0.79404   0.00000  Uiso   1.00
C1567  C     0.64461   0.74222   0.93917   0.00000  Uiso   1.00
C1568  C     0.63069   0.71740   0.93878   0.00000  Uiso   1.00
C1569  C     0.58890   0.74439   0.94087   0.00000  Uiso   1.00
C1570  C     0.60436   0.76789   0.93663   0.00000  Uiso   1.00
C1571  C     0.73389   0.55490   0.85789   0.00000  Uiso   1.00
C1572  C     0.70824   0.55648   0.86946   0.00000  Uiso   1.00
C1573  C     0.61727   0.46613   0.86931   0.00000  Uiso   1.00
C1574  C     0.69824   0.51098   0.85456   0.00000  Uiso   1.00
C1575  C     0.59961   0.44467   0.86304   0.00000  Uiso   1.00
C1576  C     0.50739   0.70627   0.96368   0.00000  Uiso   1.00
C1577  C     0.48064   0.70965   0.97339   0.00000  Uiso   1.00
C1578  C     0.47246   0.66158   0.96304   0.00000  Uiso   1.00
C1579  C     0.50070   0.65764   0.95778   0.00000  Uiso   1.00
C1580  C     0.84777   0.45231   0.78429   0.00000  Uiso   1.00
C1581  C     0.83569   0.47814   0.78909   0.00000  Uiso   1.00
C1582  C     0.79407   0.45611   0.80561   0.00000  Uiso   1.00
C1583  C     0.80630   0.43018   0.80327   0.00000  Uiso   1.00
C1584  C     0.72298   0.50978   0.83995   0.00000  Uiso   1.00
C1585  C     0.56170   0.47093   0.87766   0.00000  Uiso   1.00
C1586  C     0.65356   0.88388   0.91013   0.00000  Uiso   1.00
C1587  C     0.64134   0.90872   0.90621   0.00000  Uiso   1.00
C1588  C     0.61258   0.91066   0.90692   0.00000  Uiso   1.00
C1589  C     0.59631   0.88745   0.91277   0.00000  Uiso   1.00
C1590  C     0.60785   0.86162   0.91546   0.00000  Uiso   1.00
C1595  C     0.38186   0.62894   0.97093   0.00000  Uiso   1.00
C1596  C     0.36253   0.60827   0.96687   0.00000  Uiso   1.00
C1597  C     0.33585   0.61132   0.97666   0.00000  Uiso   1.00
C1598  C     0.32897   0.63549   0.99096   0.00000  Uiso   1.00
C1599  C     0.34797   0.65578   0.99509   0.00000  Uiso   1.00
C1600  C     0.81482   0.59729   0.82904   0.00000  Uiso   1.00
C1601  C     0.83391   0.61875   0.82904   0.00000  Uiso   1.00
C1602  C     0.86077   0.61451   0.82176   0.00000  Uiso   1.00
C1603  C     0.86819   0.58872   0.81140   0.00000  Uiso   1.00
C1604  C     0.84960   0.56758   0.81094   0.00000  Uiso   1.00
C1605  C     0.63329   0.60145   0.91737   0.00000  Uiso   1.00
C1606  C     0.62230   0.62369   0.93251   0.00000  Uiso   1.00
C1607  C     0.57923   0.49133   0.88544   0.00000  Uiso   1.00
C1613  C     0.57822   0.60150   0.93707   0.00000  Uiso   1.00
C1614  C     0.58901   0.58105   0.92074   0.00000  Uiso   1.00
H903   H     0.71189   0.81224   0.91767   0.00000  Uiso   1.00
H904   H     0.67578   0.88190   0.90736   0.00000  Uiso   1.00
H905   H     0.63769   0.46564   0.86234   0.00000  Uiso   1.00
H906   H     0.65436   0.92678   0.90325   0.00000  Uiso   1.00
H907   H     0.64300   0.69871   0.93865   0.00000  Uiso   1.00
H908   H     0.60387   0.93020   0.90987   0.00000  Uiso   1.00
H909   H     0.59274   0.78673   0.93273   0.00000  Uiso   1.00
H910   H     0.57557   0.88918   0.91829   0.00000  Uiso   1.00
H911   H     0.59557   0.84387   0.92111   0.00000  Uiso   1.00
H912   H     0.52117   0.72362   0.96147   0.00000  Uiso   1.00
H915   H     0.47483   0.73021   0.98003   0.00000  Uiso   1.00
H918   H     0.57529   0.56446   0.91511   0.00000  Uiso   1.00
H919   H     0.39984   0.62643   0.95954   0.00000  Uiso   1.00
H920   H     0.45743   0.64357   0.96170   0.00000  Uiso   1.00
H921   H     0.36552   0.58902   0.95687   0.00000  Uiso   1.00
H922   H     0.74893   0.57108   0.86330   0.00000  Uiso   1.00
H923   H     0.32050   0.59511   0.97353   0.00000  Uiso   1.00
H924   H     0.50770   0.63696   0.95391   0.00000  Uiso   1.00
H927   H     0.79444   0.59882   0.83703   0.00000  Uiso   1.00
H928   H     0.86793   0.45086   0.77543   0.00000  Uiso   1.00
H929   H     0.82478   0.63908   0.83335   0.00000  Uiso   1.00
H930   H     0.66691   0.74027   0.93829   0.00000  Uiso   1.00
H931   H     0.87620   0.62985   0.82238   0.00000  Uiso   1.00
H932   H     0.84839   0.49657   0.78488   0.00000  Uiso   1.00
H933   H     0.88798   0.58664   0.80121   0.00000  Uiso   1.00
H934   H     0.85536   0.54640   0.80475   0.00000  Uiso   1.00
H935   H     0.55269   0.36326   0.83819   0.00000  Uiso   1.00
H936   H     0.48933   0.41058   0.85866   0.00000  Uiso   1.00
H937   H     0.56787   0.74589   0.94369   0.00000  Uiso   1.00
H938   H     0.54025   0.47179   0.88198   0.00000  Uiso   1.00
H939   H     0.65367   0.60149   0.90961   0.00000  Uiso   1.00
H940   H     0.77479   0.45681   0.81558   0.00000  Uiso   1.00
H941   H     0.70176   0.57496   0.87856   0.00000  Uiso   1.00
H942   H     0.63591   0.64218   0.93059   0.00000  Uiso   1.00
H944   H     0.56884   0.50849   0.89330   0.00000  Uiso   1.00
H946   H     0.79355   0.41311   0.80956   0.00000  Uiso   1.00
H949   H     0.68430   0.49390   0.85522   0.00000  Uiso   1.00
H951   H     0.60810   0.42488   0.85562   0.00000  Uiso   1.00
H953   H     0.83763   0.33892   0.80678   0.00000  Uiso   1.00
H954   H     0.55535   0.60039   0.94239   0.00000  Uiso   1.00
H955   H     0.90601   0.37913   0.78524   0.00000  Uiso   1.00
H956   H     0.72804   0.49186   0.82806   0.00000  Uiso   1.00
C1615  C     0.63741   0.85964   0.91486   0.00000  Uiso   1.00
C1616  C     0.51802   0.67998   0.95809   0.00000  Uiso   1.00
C1617  C     0.59469   0.62451   0.93954   0.00000  Uiso   1.00
C1618  C     0.81013   0.47983   0.80177   0.00000  Uiso   1.00
C1620  C     0.82386   0.57075   0.82303   0.00000  Uiso   1.00
C1621  C     0.37500   0.65253   0.98598   0.00000  Uiso   1.00
C1622  C     0.83331   0.42857   0.79281   0.00000  Uiso   1.00
C1623  C     0.74071   0.53234   0.84144   0.00000  Uiso   1.00
C1625  C     0.61653   0.57915   0.91210   0.00000  Uiso   1.00
C1626  C     0.63326   0.76706   0.93653   0.00000  Uiso   1.00
C1627  C     0.68974   0.53513   0.86780   0.00000  Uiso   1.00
C1628  C     0.46277   0.68661   0.97385   0.00000  Uiso   1.00
C1629  C     0.57222   0.44661   0.86637   0.00000  Uiso   1.00
C1630  C     0.60589   0.49189   0.87724   0.00000  Uiso   1.00
C1631  C     0.60177   0.71966   0.94180   0.00000  Uiso   1.00
C1633  C     0.68937   0.81100   0.91872   0.00000  Uiso   1.00
C1634  C     0.54479   0.38075   0.84781   0.00000  Uiso   1.00
C1635  C     0.88552   0.37973   0.79208   0.00000  Uiso   1.00
C1636  C     0.51027   0.40818   0.85840   0.00000  Uiso   1.00
C1638  C     0.84735   0.35785   0.80245   0.00000  Uiso   1.00
H129   H     0.29947   0.99687   0.88460   0.00000  Uiso   1.00
H131   H     0.25401   0.97870   0.86422   0.00000  Uiso   1.00
H139   H     0.19661   0.98933   0.78148   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
N68    C267    1.380   .     S
N68    C255    1.410   1_455 S
N69    C267    1.400   .     S
N69    C273    1.376   1_455 S
N82    C254    1.368   .     S
N82    C265    1.340   .     S
N91    C260    1.372   .     S
N91    C278    1.331   .     S
N93    C261    1.343   .     S
N93    C278    1.329   .     S
C254   H172    1.082   .     S
C254   N83     1.314   1_545 S
C260   H194    1.120   .     S
C260   N92     1.368   .     S
C261   N92     1.331   .     S
C261   H195    1.150   .     S
H166   C306    1.134   .     S
H181   C289    1.073   .     S
H182   C291    1.102   .     S
H197   C321    1.088   .     S
H198   C315    1.092   .     S
H199   C317    1.109   .     S
H200   C319    1.128   .     S
H201   C320    1.119   .     S
C265   C330    1.436   .     S
C265   N84     1.326   1_545 S
C267   C334    1.448   .     S
C278   C324    1.448   .     S
C289   C291    1.421   .     S
C289   C324    1.450   .     S
C291   C330    1.397   .     S
C294   C324    1.402   .     S
C294   H184    1.098   1_545 S
C294   C293    1.392   1_545 S
C306   C336    1.387   1_455 S
C306   C313    1.371   1_445 S
C315   C317    1.409   .     S
C315   C321    1.442   .     S
C317   C334    1.450   .     S
C319   C320    1.428   .     S
C319   C334    1.420   .     S
C320   C321    1.443   .     S
C330   C293    1.425   1_545 S
N131   C477    1.343   .     S
N131   C480    1.290   1_554 S
N137   C467    1.324   .     S
N137   C466    1.375   1_554 S
N145   C471    1.331   .     S
N145   C553    1.360   .     S
N146   C471    1.333   .     S
N146   C472    1.340   .     S
N147   C472    1.396   .     S
N147   C553    1.360   .     S
N157   C555    1.349   .     S
N157   C483    1.374   .     S
N158   C558    1.410   .     S
N158   C555    1.363   .     S
N159   C483    1.383   .     S
N159   C558    1.293   .     S
C467   C543    1.409   .     S
C467   N138    1.347   1_554 S
C471   C531    1.443   .     S
C472   C545    1.396   .     S
C477   C537    1.464   .     S
C477   N130    1.300   1_554 S
C483   C533    1.399   .     S
C484   C523    1.386   .     S
C484   H302    1.105   .     S
C484   C535    1.439   1_554 S
C495   C531    1.421   .     S
C495   C496    1.408   .     S
C495   H316    1.071   .     S
C496   C543    1.477   .     S
C496   H321    1.117   .     S
C497   C543    1.389   .     S
C497   C498    1.400   .     S
C497   H327    1.120   .     S
C498   H331    1.121   .     S
C498   C531    1.432   .     S
C518   C519    1.403   .     S
C518   C537    1.407   .     S
C518   H311    1.070   .     S
C519   H313    1.102   .     S
C519   C533    1.412   .     S
C520   C533    1.426   .     S
C520   H315    1.051   .     S
C520   C521    1.423   .     S
C521   H317    1.096   .     S
C521   C537    1.444   .     S
C523   H322    1.113   .     S
C523   C549    1.449   1_554 S
C524   C525    1.427   .     S
C524   H324    1.099   .     S
C524   C528    1.420   .     S
C525   H326    1.022   .     S
C525   C545    1.454   .     S
C526   C545    1.411   .     S
C526   C527    1.421   .     S
C526   H328    1.106   .     S
C527   H330    1.117   .     S
C527   C528    1.437   .     S
C528   H323    1.156   .     S
H275   C553    1.037   .     S
H318   C555    1.093   .     S
H320   C558    1.120   .     S
N205   C693    1.337   .     S
N205   C691    1.353   .     S
N206   C691    1.363   .     S
N206   C692    1.352   .     S
N207   C692    1.281   .     S
N207   C693    1.340   .     S
N214   C764    1.368   .     S
N214   C767    1.366   .     S
N215   C700    1.367   .     S
N215   C767    1.326   .     S
N216   C764    1.357   .     S
N216   C700    1.352   .     S
N217   C762    1.351   .     S
N217   C765    1.339   .     S
N218   C762    1.364   .     S
N218   C703    1.323   .     S
N219   C765    1.311   .     S
N219   C703    1.349   .     S
C691   C752    1.478   .     S
C692   C748    1.423   .     S
C693   C747    1.456   .     S
C700   C749    1.456   .     S
C703   C757    1.426   .     S
C709   C749    1.412   .     S
C709   H415    1.115   .     S
C709   C710    1.421   .     S
C710   H426    1.150   .     S
C710   C747    1.451   .     S
C711   H406    1.085   .     S
C711   C712    1.431   .     S
C711   C747    1.455   .     S
C712   C749    1.410   .     S
C712   H409    1.090   .     S
C726   C757    1.368   .     S
C726   H418    1.071   .     S
C726   C727    1.385   .     S
C727   H419    1.087   .     S
C727   C748    1.477   .     S
C728   C748    1.425   .     S
C728   H421    1.148   .     S
C728   C729    1.440   .     S
C729   H423    1.138   .     S
C729   C757    1.442   .     S
H427   C730    1.065   1_545 S
H429   C764    1.062   .     S
H431   C767    1.074   .     S
H439   C765    1.124   .     S
H440   C762    1.098   .     S
C752   C708    1.399   1_545 S
C752   C730    1.404   1_545 S
N395   C1326   1.364   .     S
N395   C1328   1.376   .     S
H745   C1328   1.104   .     S
H746   C1326   1.137   .     S
C1326  N396    1.364   1_455 S
C1328  N394    1.349   1_455 S
N67    C273    1.331   .     S
N67    C255    1.360   .     S
C255   H186    1.093   .     S
C255   N68     1.410   1_655 S
H156   C301    1.087   .     S
C273   C336    1.427   .     S
C273   N69     1.376   1_655 S
C301   C336    1.426   .     S
C301   C312    1.455   1_545 S
C336   C306    1.387   1_655 S
N100   C341    1.326   .     S
N100   C343    1.368   .     S
N101   C341    1.340   .     S
N101   C342    1.316   .     S
N102   C343    1.357   .     S
N102   C342    1.349   .     S
N110   C351    1.362   .     S
N110   C350    1.339   .     S
N111   C351    1.344   .     S
N111   C352    1.335   1_554 S
N112   C366    1.354   .     S
N112   C356    1.337   .     S
N113   C354    1.356   .     S
N113   C366    1.348   .     S
N114   C356    1.324   .     S
N114   C354    1.333   .     S
C341   C461    1.437   .     S
C342   C441    1.422   .     S
C343   C440    1.449   .     S
C350   N109    1.332   1_554 S
C350   C452    1.392   1_554 S
C351   C449    1.467   1_545 S
C354   C460    1.411   .     S
C356   C451    1.467   .     S
C366   H224    1.088   .     S
H203   C381    1.066   .     S
H208   C412    1.086   .     S
H209   C386    1.089   .     S
H210   C392    1.146   .     S
H211   C403    1.146   .     S
H212   C410    1.112   .     S
H213   C416    1.107   .     S
H214   C428    1.096   .     S
H215   C374    1.082   .     S
H216   C378    1.085   .     S
H218   C383    1.142   .     S
H220   C391    1.174   1_554 S
H238   C389    1.102   .     S
H239   C382    1.106   .     S
H240   C384    1.106   .     S
H241   C385    1.101   .     S
H242   C387    1.174   .     S
H249   C397    1.077   .     S
H271   C431    1.077   1_554 S
C374   C461    1.408   .     S
C374   C378    1.428   .     S
C378   C451    1.451   .     S
C381   C441    1.420   .     S
C381   C418    1.409   1_545 S
C382   C389    1.426   .     S
C382   C384    1.417   .     S
C383   C441    1.440   .     S
C383   C406    1.454   1_545 S
C384   C460    1.422   .     S
C385   C460    1.482   .     S
C385   C387    1.445   .     S
C386   C412    1.445   .     S
C386   C392    1.428   .     S
C387   C389    1.393   .     S
C392   C440    1.408   .     S
C397   C399    1.430   1_554 S
C397   C452    1.435   1_554 S
C403   C440    1.416   .     S
C403   C410    1.378   .     S
C410   C412    1.400   .     S
C416   C428    1.425   .     S
C416   C451    1.442   .     S
C428   C461    1.455   .     S
N151   C476    1.329   .     S
N151   C557    1.318   .     S
N152   C557    1.394   .     S
N152   C552    1.344   .     S
N153   C552    1.355   .     S
N153   C476    1.350   .     S
C476   C530    1.417   .     S
C508   H290    1.081   .     S
C508   C530    1.465   .     S
C508   C509    1.400   .     S
C509   C544    1.429   .     S
C509   H291    1.126   .     S
C510   C544    1.405   .     S
C510   H293    1.071   .     S
C510   C511    1.411   .     S
C511   H295    1.139   .     S
C511   C530    1.472   .     S
H297   C557    1.125   .     S
H298   C552    1.052   .     S
C544   C473    1.462   1_545 S
N268   C923    1.317   .     S
N268   C920    1.318   .     S
N269   C917    1.369   .     S
N269   C920    1.333   .     S
N270   C917    1.385   .     S
N270   C923    1.323   .     S
N271   C918    1.336   .     S
N271   C924    1.329   .     S
N272   C918    1.326   .     S
N272   C1044   1.363   .     S
N273   C924    1.347   .     S
N273   C1044   1.436   .     S
N274   C937    1.361   .     S
N274   C1050   1.393   .     S
N275   C1050   1.370   .     S
N275   C935    1.378   .     S
N276   C937    1.332   .     S
N276   C935    1.360   .     S
N277   C910    1.367   .     S
N277   C912    1.326   .     S
N278   C911    1.298   .     S
N278   C910    1.314   .     S
N279   C911    1.350   .     S
N279   C912    1.378   .     S
N280   C913    1.346   .     S
N280   C915    1.384   .     S
N281   C914    1.394   .     S
N281   C913    1.367   .     S
N282   C914    1.372   .     S
N282   C915    1.361   .     S
N283   C916    1.329   .     S
N283   C919    1.344   .     S
N284   C1042   1.317   .     S
N284   C916    1.364   .     S
N285   C1042   1.355   .     S
N285   C919    1.347   .     S
N286   C1038   1.367   .     S
N286   C922    1.346   .     S
N287   C1038   1.335   .     S
N287   C921    1.347   .     S
N288   C922    1.350   .     S
N288   C921    1.299   .     S
N289   C1046   1.281   .     S
N289   C1043   1.349   .     S
N290   C1046   1.323   .     S
N290   C925    1.340   .     S
N291   C1043   1.341   .     S
N291   C925    1.360   .     S
N292   C926    1.348   .     S
N292   C928    1.397   .     S
N296   C929    1.352   .     S
N296   C1049   1.350   .     S
N297   C929    1.378   .     S
N297   C930    1.322   .     S
N298   C1041   1.336   .     S
N298   C932    1.311   .     S
N299   C1041   1.338   .     S
N299   C931    1.345   .     S
N300   C931    1.377   .     S
N300   C932    1.333   .     S
N301   C1048   1.290   .     S
N301   C933    1.353   .     S
N302   C933    1.329   .     S
N302   C934    1.316   .     S
N303   C1048   1.327   .     S
N303   C934    1.355   .     S
N304   C1040   1.351   .     S
N304   C1047   1.359   .     S
N305   C1040   1.366   .     S
N305   C936    1.330   .     S
N306   C936    1.354   .     S
N306   C1047   1.347   .     S
N311   C1036   1.350   .     S
N311   C939    1.351   1_455 S
N312   C1036   1.336   .     S
N312   C1039   1.335   1_455 S
C910   C1022   1.456   .     S
C911   C1014   1.448   .     S
C912   C1009   1.465   .     S
C913   C1006   1.447   .     S
C914   C1010   1.407   .     S
C915   C1018   1.444   .     S
C916   C1008   1.448   .     S
C917   C1013   1.447   .     S
C918   C1029   1.411   .     S
C919   C1035   1.417   .     S
C920   C1026   1.441   .     S
C921   C1028   1.402   .     S
C922   C1020   1.456   .     S
C923   C1027   1.450   .     S
C924   C1034   1.441   .     S
C925   C1017   1.425   .     S
C926   C1019   1.424   .     S
C926   N293    1.315   .     S
C929   C1015   1.420   .     S
C931   C1030   1.441   .     S
C932   C1012   1.450   .     S
C933   C1033   1.418   .     S
C934   C1011   1.450   .     S
C935   C1032   1.458   .     S
C936   C1023   1.460   .     S
C937   C1025   1.435   .     S
C940   C1008   1.435   .     S
C940   C941    1.420   .     S
C940   H540    1.131   .     S
C941   H565    1.115   .     S
C941   C1009   1.423   .     S
C944   H560    1.130   .     S
C944   C1010   1.462   .     S
C944   C945    1.426   1_545 S
C946   C1029   1.407   .     S
C946   H609    1.098   .     S
C946   C956    1.444   .     S
C947   H554    1.059   .     S
C947   C982    1.420   .     S
C947   C1013   1.477   .     S
C948   C1035   1.407   .     S
C948   C949    1.439   .     S
C948   H537    1.115   .     S
C949   H542    1.109   .     S
C949   C1015   1.440   .     S
C950   C1015   1.452   .     S
C950   H548    1.207   .     S
C950   C951    1.454   .     S
C951   H551    1.119   .     S
C951   C1035   1.402   .     S
C952   C1018   1.490   .     S
C952   C953    1.421   .     S
C952   H558    1.074   .     S
C953   H562    1.113   .     S
C953   C1028   1.421   .     S
C954   C955    1.428   .     S
C954   C1028   1.410   .     S
C954   H567    1.098   .     S
C955   C1018   1.440   .     S
C955   H571    1.093   .     S
C956   H555    1.116   .     S
C956   C1014   1.436   .     S
C957   C1006   1.429   .     S
C957   H586    1.068   .     S
C957   C962    1.448   .     S
C958   H589    1.078   .     S
C958   C959    1.375   .     S
C958   C1026   1.438   .     S
C959   C1017   1.403   .     S
C959   H592    1.105   .     S
C960   C1017   1.416   .     S
C960   C961    1.408   .     S
C960   H596    1.106   .     S
C961   C1026   1.382   .     S
C961   H603    1.099   .     S
C962   H614    1.129   .     S
C962   C1022   1.402   .     S
C963   H535    1.093   .     S
C963   C1032   1.524   .     S
C963   C965    1.447   .     S
C964   H538    1.087   .     S
C964   C1022   1.423   .     S
C964   C966    1.399   .     S
C965   H539    1.137   .     S
C965   C1027   1.411   .     S
C966   H543    1.081   .     S
C966   C1006   1.428   .     S
C967   H544    1.121   .     S
C967   C972    1.478   .     S
C967   C1027   1.455   .     S
C968   C969    1.419   .     S
C968   H545    1.153   .     S
C968   C1019   1.425   .     S
C969   C1030   1.445   .     S
C969   H547    1.067   .     S
C970   H549    1.108   .     S
C970   C971    1.433   .     S
C970   C1030   1.426   .     S
C971   C1019   1.433   .     S
C971   H550    1.084   .     S
C972   C1032   1.422   .     S
C972   H553    1.107   .     S
C975   C976    1.466   .     S
C975   C1011   1.434   .     S
C975   H559    1.139   .     S
C976   H561    1.055   .     S
C976   C1024   1.426   .     S
C978   H564    1.121   .     S
C978   C977    1.439   1_455 S
C978   C1031   1.426   1_455 S
C979   H566    1.159   .     S
C979   C980    1.452   .     S
C979   C1031   1.424   .     S
C980   H568    1.117   .     S
C980   C1007   1.423   .     S
C981   H579    1.139   .     S
C981   C987    1.421   .     S
C981   C1034   1.438   .     S
C982   C1034   1.421   .     S
C982   H581    1.081   .     S
C983   H573    1.067   .     S
C983   C1025   1.367   .     S
C983   C984    1.424   .     S
C984   C1023   1.392   .     S
C984   H574    1.146   .     S
C985   C1023   1.392   .     S
C985   C986    1.436   .     S
C985   H575    1.066   .     S
C986   C1025   1.410   .     S
C986   H577    1.150   .     S
C987   C1013   1.440   .     S
C987   H582    1.080   .     S
C988   C989    1.445   .     S
C988   H583    1.146   .     S
C988   C1012   1.408   .     S
C989   H585    1.104   .     S
C989   C990    1.393   .     S
C990   C991    1.397   .     S
C990   H587    1.101   .     S
C991   H588    1.140   .     S
C991   C992    1.415   .     S
C992   H590    1.069   .     S
C992   C1012   1.450   .     S
C993   H591    1.107   .     S
C993   C1020   1.475   .     S
C993   C994    1.438   1_545 S
C995   C1016   1.452   .     S
C995   H594    1.105   .     S
C995   C996    1.437   .     S
C996   C1020   1.393   .     S
C996   H595    1.093   .     S
C997   C1009   1.435   .     S
C997   C1000   1.404   .     S
C997   H601    1.066   .     S
C998   H600    1.083   .     S
C998   C1014   1.412   .     S
C998   C999    1.454   .     S
C999   H604    1.116   .     S
C999   C1029   1.428   .     S
C1000  H534    1.113   .     S
C1000  C1008   1.450   .     S
C1001  H608    1.104   .     S
C1001  C1005   1.429   .     S
C1001  C1002   1.419   .     S
C1002  H610    1.074   .     S
C1002  C1033   1.436   .     S
C1003  C1004   1.425   .     S
C1003  H611    1.099   .     S
C1003  C1033   1.425   .     S
C1004  H613    1.080   .     S
C1004  C1005   1.466   .     S
C1005  H606    1.074   .     S
H552   C1041   1.097   .     S
H563   C977    1.057   1_455 S
H572   C1050   1.068   .     S
H576   C1038   1.052   .     S
H580   C1040   1.154   .     S
H584   C1044   1.100   .     S
H598   C1042   1.064   .     S
H605   C1036   1.176   .     S
H607   C1043   1.084   .     S
H612   C1046   1.114   .     S
C1010  C943    1.456   1_545 S
C1011  C974    1.423   .     S
C1016  C938    1.435   1_545 S
C1016  C994    1.478   1_545 S
C1047  H578    1.093   1_554 S
C1048  H569    1.071   .     S
N313   C1074   1.358   .     S
N313   C1072   1.346   .     S
N314   C1072   1.413   .     S
N314   C1069   1.394   .     S
N315   C1069   1.347   .     S
N315   C1074   1.395   .     S
N318   C1076   1.364   .     S
N318   C1073   1.348   .     S
N319   C1051   1.367   .     S
N319   C1052   1.328   .     S
N320   C1051   1.339   .     S
N320   C1167   1.350   .     S
N321   C1167   1.324   .     S
N321   C1052   1.338   .     S
N340   C1065   1.323   .     S
N340   C1066   1.351   .     S
N341   C1065   1.325   .     S
N341   C1163   1.355   .     S
N342   C1163   1.298   .     S
N342   C1066   1.338   .     S
N349   C1162   1.347   .     S
N349   C1157   1.322   .     S
N350   C1157   1.381   .     S
N350   C1071   1.347   .     S
N351   C1162   1.355   .     S
N351   C1071   1.326   .     S
C1051  C1132   1.434   .     S
C1052  C1151   1.438   .     S
C1065  C1143   1.450   .     S
C1066  C1152   1.436   1_554 S
C1069  C1137   1.430   .     S
C1071  C1136   1.387   .     S
C1072  C1149   1.390   .     S
C1073  C1129   1.456   .     S
C1073  N317    1.351   1_554 S
C1074  C1133   1.415   1_554 S
C1076  C1144   1.403   .     S
C1076  N316    1.365   1_554 S
C1077  C1123   1.409   .     S
C1077  H640    1.100   .     S
C1077  C1143   1.391   .     S
C1078  C1132   1.434   .     S
C1078  C1088   1.417   .     S
C1078  H630    1.123   .     S
C1087  C1089   1.476   .     S
C1087  C1143   1.466   .     S
C1087  H635    1.107   .     S
C1088  H637    1.114   .     S
C1088  C1149   1.456   .     S
C1089  C1144   1.434   .     S
C1089  H643    1.095   1_554 S
C1101  C1102   1.405   .     S
C1101  C1136   1.432   .     S
C1101  H626    1.136   .     S
C1102  C1151   1.436   .     S
C1102  H628    1.098   .     S
C1103  C1151   1.440   .     S
C1103  C1104   1.417   .     S
C1103  H629    1.088   .     S
C1104  C1136   1.453   .     S
C1104  H631    1.127   .     S
C1112  C1117   1.433   .     S
C1112  H655    1.134   .     S
C1112  C1137   1.450   .     S
C1117  C1129   1.428   .     S
C1117  H658    1.070   .     S
C1120  C1137   1.424   .     S
C1120  C1119   1.424   1_554 S
C1120  H667    1.097   1_554 S
C1122  C1149   1.414   .     S
C1122  H680    1.111   .     S
C1122  C1128   1.412   .     S
C1123  C1144   1.429   .     S
C1123  H617    1.080   .     S
C1128  H656    1.108   .     S
C1128  C1132   1.459   .     S
H616   C1095   1.150   1_554 S
H657   C1163   1.109   .     S
H669   C1162   1.107   .     S
H671   C1157   1.108   .     S
H682   C1167   1.105   .     S
C1129  C1119   1.424   1_554 S
N385   C1275   1.360   .     S
N385   C1276   1.331   .     S
N386   C1273   1.343   .     S
N386   C1275   1.402   .     S
N387   C1276   1.365   .     S
N387   C1273   1.332   .     S
N388   C1277   1.317   .     S
N388   C1274   1.354   .     S
N389   C1274   1.395   .     S
N389   C1322   1.382   .     S
N390   C1322   1.337   .     S
N390   C1277   1.312   .     S
N391   C1327   1.341   .     S
N391   C1278   1.397   .     S
N392   C1279   1.347   .     S
N392   C1278   1.348   .     S
N393   C1279   1.331   .     S
N393   C1327   1.355   .     S
N394   C1280   1.374   .     S
N394   C1328   1.349   1_655 S
N396   C1280   1.395   .     S
N396   C1326   1.364   1_655 S
N397   C1323   1.294   .     S
N397   C1281   1.329   .     S
N398   C1281   1.369   .     S
N398   C1282   1.359   .     S
N399   C1323   1.319   .     S
N399   C1282   1.358   .     S
N400   C1321   1.328   .     S
N400   C1283   1.342   .     S
N401   C1321   1.369   .     S
N401   C1325   1.365   .     S
N402   C1325   1.373   .     S
N402   C1283   1.396   .     S
N403   C1329   1.359   .     S
N403   C1324   1.320   .     S
N404   C1324   1.368   .     S
N404   C1284   1.377   .     S
N405   C1329   1.331   .     S
N405   C1284   1.367   .     S
C1273  C1320   1.445   .     S
C1274  C1310   1.407   .     S
C1275  C1311   1.456   .     S
C1276  C1313   1.428   .     S
C1277  C1314   1.436   .     S
C1278  C1318   1.413   .     S
C1279  C1316   1.459   .     S
C1280  C1309   1.458   .     S
C1281  C1315   1.401   .     S
C1282  C1319   1.451   .     S
C1283  C1312   1.387   .     S
C1284  C1317   1.398   .     S
C1285  C1307   1.407   .     S
C1285  C1311   1.411   .     S
C1285  H748    1.076   .     S
C1286  C1320   1.362   .     S
C1286  C1287   1.436   .     S
C1286  H752    1.079   .     S
C1287  C1309   1.465   .     S
C1287  H770    1.173   .     S
C1288  H754    1.068   .     S
C1288  C1290   1.465   .     S
C1288  C1313   1.387   .     S
C1289  C1311   1.402   .     S
C1289  C1296   1.417   .     S
C1289  H756    1.132   .     S
C1290  H744    1.054   .     S
C1290  C1318   1.455   .     S
C1291  C1316   1.415   .     S
C1291  H761    1.139   .     S
C1291  C1292   1.400   .     S
C1292  H765    1.098   .     S
C1292  C1315   1.422   .     S
C1293  H772    1.137   .     S
C1293  C1294   1.393   .     S
C1293  C1315   1.433   .     S
C1294  C1316   1.369   .     S
C1294  H743    1.061   .     S
C1295  C1297   1.382   .     S
C1295  C1318   1.386   .     S
C1295  H750    1.066   .     S
C1296  H751    1.069   .     S
C1296  C1314   1.389   .     S
C1297  H753    1.104   .     S
C1297  C1313   1.491   .     S
C1298  C1299   1.398   .     S
C1298  H755    1.120   .     S
C1298  C1317   1.390   .     S
C1299  C1310   1.432   .     S
C1299  H757    1.190   .     S
C1300  C1310   1.404   .     S
C1300  H758    1.113   .     S
C1300  C1301   1.449   .     S
C1301  H759    1.056   .     S
C1301  C1317   1.429   .     S
C1302  C1312   1.413   .     S
C1302  C1303   1.421   .     S
C1302  H760    1.096   .     S
C1303  H762    1.085   .     S
C1303  C1319   1.491   .     S
C1304  C1319   1.434   .     S
C1304  H764    1.131   .     S
C1304  C1305   1.446   .     S
C1305  H766    1.090   .     S
C1305  C1312   1.442   .     S
C1306  C1308   1.428   .     S
C1306  H769    1.148   .     S
C1306  C1309   1.417   .     S
C1307  H775    1.074   .     S
C1307  C1314   1.394   .     S
C1308  H774    1.116   .     S
C1308  C1320   1.447   .     S
H747   C1327   1.114   .     S
H749   C1323   1.139   .     S
H763   C1322   1.069   .     S
H767   C1321   1.079   .     S
H768   C1325   1.134   .     S
H771   C1329   1.124   .     S
H773   C1324   1.144   .     S
N426   C1424   1.387   1_545 S
N426   C1430   1.350   1_545 S
N429   C1429   1.371   1_545 S
N429   C1432   1.349   1_545 S
H805   C1430   1.086   1_545 S
H814   C1429   1.118   1_545 S
N295   C1049   1.331   .     S
N295   C930    1.341   .     S
N310   C1039   1.339   .     S
N310   C939    1.375   .     S
C930   C1007   1.478   .     S
C939   C1031   1.438   .     S
C939   N311    1.351   1_655 S
C977   C1007   1.420   .     S
C977   H563    1.057   1_655 S
C977   C978    1.439   1_655 S
H602   C1039   1.126   .     S
C1031  C978    1.426   1_655 S
C1039  N312    1.335   1_655 S
C1049  H541    1.150   1_554 S
N252   C790    1.349   .     S
N252   C898    1.341   1_455 S
H465   C902    1.072   .     S
C902   N251    1.341   .     S
C902   N250    1.328   1_455 S
C195   C199    1.411   .     S
C195   H109    1.079   .     S
C195   C196    1.433   1_554 S
C197   C198    1.458   .     S
C197   H113    1.157   .     S
C197   C241    1.453   1_554 S
C198   C199    1.422   .     S
C198   H115    1.108   .     S
C199   H107    1.150   .     S
N73    C263    1.343   .     S
N73    C276    1.368   .     S
N74    C270    1.355   .     S
N74    C276    1.323   .     S
N75    C263    1.379   .     S
N75    C270    1.342   .     S
N76    C262    1.328   .     S
N76    C274    1.351   .     S
N77    C279    1.324   .     S
N77    C274    1.375   .     S
N78    C262    1.369   .     S
N78    C279    1.361   .     S
N83    C264    1.362   .     S
N83    C254    1.314   1_565 S
N84    C264    1.315   .     S
N84    C265    1.326   1_565 S
H152   C284    1.139   .     S
H153   C308    1.138   .     S
H154   C280    1.114   .     S
H155   C290    1.047   .     S
H157   C299    1.053   .     S
H160   C282    1.096   .     S
H161   C286    1.116   .     S
H164   C297    1.098   .     S
H167   C314    1.098   .     S
H168   C318    1.060   .     S
H169   C285    1.123   .     S
H170   C296    1.111   .     S
H171   C313    1.134   1_455 S
H173   C287    1.064   .     S
H183   C293    1.083   .     S
H184   C294    1.098   1_565 S
H193   C298    1.084   .     S
H196   C311    1.103   .     S
C262   C338    1.445   .     S
C263   C327    1.408   .     S
C264   C325    1.465   .     S
C270   C322    1.386   .     S
C274   C329    1.422   .     S
C276   C331    1.472   .     S
C279   C326    1.468   .     S
C280   C290    1.492   .     S
C280   C331    1.453   .     S
C282   C322    1.410   .     S
C282   C310    1.447   1_554 S
C284   C308    1.444   .     S
C284   C329    1.420   .     S
C285   C338    1.454   .     S
C285   C296    1.443   .     S
C286   C326    1.437   .     S
C286   C292    1.444   1_554 S
C287   C327    1.439   .     S
C287   C283    1.392   1_455 S
C290   C329    1.445   .     S
C293   C330    1.425   1_565 S
C293   C294    1.392   1_565 S
C296   C325    1.413   .     S
C297   C326    1.485   .     S
C297   C295    1.433   1_554 S
C298   C311    1.449   .     S
C298   C332    1.455   1_455 S
C299   C322    1.414   .     S
C299   C288    1.434   1_554 S
C308   C331    1.448   .     S
C311   C327    1.444   .     S
C314   C325    1.413   .     S
C314   C318    1.403   .     S
C318   C338    1.485   .     S
C501   H278    1.123   .     S
C501   C547    1.415   .     S
C501   C502    1.450   1_455 S
C547   C504    1.424   1_455 S
C547   C469    1.425   1_554 S
C706   H420    1.065   .     S
C706   C708    1.423   .     S
C706   C753    1.408   1_554 S
C708   H441    1.081   .     S
C708   C752    1.399   1_565 S
C730   C731    1.420   .     S
C730   H427    1.065   1_565 S
C730   C752    1.404   1_565 S
C731   H430    1.086   .     S
C731   C753    1.427   1_554 S
H425   C768    1.088   1_554 S
N229   C787    1.394   .     S
N229   C780    1.345   .     S
N230   C780    1.333   .     S
N230   C783    1.358   .     S
N231   C787    1.356   .     S
N231   C783    1.379   .     S
N232   C793    1.375   .     S
N232   C796    1.335   .     S
N233   C794    1.355   .     S
N233   C793    1.364   .     S
N234   C794    1.361   .     S
N234   C796    1.341   .     S
N235   C774    1.342   .     S
N235   C772    1.324   .     S
N236   C772    1.371   .     S
N236   C773    1.294   .     S
N237   C774    1.366   .     S
N237   C773    1.317   .     S
N241   C777    1.392   .     S
N241   C909    1.355   .     S
N242   C777    1.381   .     S
N242   C779    1.345   .     S
N243   C779    1.360   .     S
N243   C909    1.342   .     S
N244   C786    1.328   .     S
N244   C782    1.382   .     S
N245   C784    1.321   .     S
N245   C782    1.329   .     S
N246   C786    1.399   .     S
N246   C784    1.317   .     S
N247   C788    1.342   .     S
N247   C789    1.391   .     S
N249   C789    1.319   .     S
N249   C907    1.336   1_554 S
N250   C898    1.332   .     S
N250   C902    1.328   1_655 S
N251   C790    1.355   .     S
N256   C792    1.375   .     S
N256   C903    1.298   .     S
N257   C903    1.346   .     S
N257   C900    1.318   .     S
N258   C900    1.292   .     S
N258   C792    1.344   .     S
N259   C901    1.335   .     S
N259   C795    1.365   .     S
N260   C901    1.340   .     S
N260   C905    1.325   .     S
N261   C795    1.342   .     S
N261   C905    1.362   .     S
C772   C870    1.449   .     S
C773   C872    1.427   .     S
C774   C885    1.443   .     S
C777   C896    1.411   .     S
C779   C884    1.482   .     S
C780   C892    1.453   .     S
C782   C875    1.427   .     S
C783   C889    1.461   .     S
C784   C879    1.453   .     S
C786   C881    1.461   .     S
C787   C887    1.406   .     S
C788   C882    1.448   .     S
C788   N248    1.342   1_554 S
C789   C888    1.392   .     S
C790   C891    1.377   .     S
C792   C871    1.462   .     S
C793   C893    1.457   .     S
C794   C868    1.404   .     S
C795   C876    1.444   .     S
C796   C869    1.446   .     S
C801   C851    1.427   .     S
C801   C884    1.469   .     S
C801   H524    1.147   .     S
C802   H459    1.091   .     S
C802   C808    1.408   .     S
C802   C870    1.443   .     S
C803   C887    1.430   .     S
C803   C809    1.421   .     S
C803   H461    1.103   .     S
C805   C881    1.461   .     S
C805   H515    1.071   .     S
C805   C804    1.439   1_554 S
C808   C893    1.416   .     S
C808   H464    1.077   .     S
C809   C878    1.407   .     S
C809   H511    1.070   .     S
C810   C811    1.406   .     S
C810   H469    1.130   .     S
C810   C873    1.418   1_554 S
C811   H528    1.147   .     S
C811   C892    1.454   .     S
C812   H475    1.124   .     S
C812   C875    1.451   .     S
C812   C813    1.495   .     S
C813   H478    1.060   .     S
C813   C876    1.410   .     S
C814   H482    1.114   .     S
C814   C876    1.456   .     S
C814   C815    1.431   .     S
C815   H488    1.075   .     S
C815   C875    1.409   .     S
C816   C817    1.467   .     S
C816   H495    1.128   .     S
C816   C872    1.464   .     S
C817   C891    1.414   .     S
C817   H498    1.139   .     S
C818   H503    1.054   .     S
C818   C819    1.460   .     S
C818   C891    1.453   .     S
C819   C872    1.475   .     S
C819   H507    1.100   .     S
C820   C821    1.399   .     S
C820   H513    1.124   .     S
C820   C888    1.513   .     S
C821   H517    1.112   .     S
C821   C879    1.444   .     S
C822   C823    1.479   .     S
C822   H522    1.169   .     S
C822   C879    1.469   .     S
C823   H526    1.123   .     S
C823   C888    1.429   .     S
C824   H455    1.111   .     S
C824   C830    1.465   .     S
C824   C869    1.419   .     S
C825   C836    1.353   .     S
C825   C892    1.425   .     S
C825   H467    1.102   .     S
C826   C882    1.439   .     S
C826   H457    1.139   .     S
C826   C827    1.418   .     S
C827   H458    1.137   .     S
C827   C871    1.445   .     S
C828   C871    1.443   .     S
C828   H460    1.081   .     S
C828   C829    1.434   1_554 S
C830   H466    1.092   .     S
C830   C889    1.460   .     S
C835   H476    1.119   .     S
C835   C837    1.443   .     S
C835   C889    1.385   .     S
C836   H489    1.126   .     S
C836   C873    1.436   1_554 S
C837   H485    1.131   .     S
C837   C869    1.416   .     S
C842   C848    1.449   .     S
C842   H491    1.114   .     S
C842   C887    1.433   .     S
C843   H493    1.111   .     S
C843   C884    1.420   .     S
C843   C849    1.439   .     S
C845   C885    1.397   .     S
C845   H496    1.102   .     S
C845   C844    1.397   1_554 S
C846   H497    1.079   .     S
C846   C885    1.441   .     S
C846   C847    1.433   1_554 S
C848   C878    1.393   .     S
C848   H480    1.130   .     S
C849   H502    1.111   .     S
C849   C868    1.429   .     S
C850   C870    1.371   .     S
C850   C852    1.440   .     S
C850   H505    1.078   .     S
C851   H508    1.125   .     S
C851   C868    1.448   .     S
C852   H509    1.061   .     S
C852   C893    1.368   .     S
C863   H527    1.114   .     S
C863   C864    1.387   .     S
C863   C896    1.411   .     S
C864   H529    1.115   .     S
C864   C865    1.419   .     S
C865   H530    1.095   .     S
C865   C866    1.456   .     S
C866   H532    1.088   .     S
C866   C867    1.416   .     S
C867   H533    1.103   .     S
C867   C896    1.454   .     S
H463   C898    1.062   .     S
H471   C909    1.122   .     S
H486   C903    1.113   .     S
H487   C900    1.096   .     S
H490   C901    1.135   .     S
H492   C905    1.126   .     S
C878   C785    1.439   1_554 S
C881   C806    1.434   1_554 S
C882   C829    1.467   1_554 S
C898   N252    1.341   1_655 S
N373   C1267   1.355   .     S
N373   C1186   1.348   1_554 S
N374   C1267   1.392   .     S
N374   C1268   1.299   1_554 S
H688   C1267   1.106   .     S
H740   C1208   1.100   1_554 S
N421   C1433   1.367   .     S
N421   C1344   1.324   .     S
N422   C1345   1.359   .     S
N422   C1344   1.329   .     S
N423   C1433   1.347   .     S
N423   C1345   1.343   .     S
N430   C1349   1.340   .     S
N430   C1348   1.319   .     S
N431   C1348   1.351   .     S
N431   C1427   1.353   .     S
N432   C1349   1.331   .     S
N432   C1427   1.335   .     S
N436   C1351   1.350   .     S
N436   C1434   1.377   .     S
N437   C1351   1.331   .     S
N437   C1428   1.334   .     S
N438   C1428   1.363   .     S
N438   C1434   1.355   .     S
C1344  C1419   1.405   .     S
C1345  C1404   1.419   .     S
C1348  C1409   1.440   .     S
C1349  C1423   1.478   .     S
C1351  C1411   1.435   .     S
C1372  H780    1.045   .     S
C1372  C1409   1.417   .     S
C1372  C1371   1.403   1_455 S
C1375  C1411   1.402   .     S
C1375  H786    1.112   .     S
C1375  C1376   1.380   .     S
C1376  C1419   1.463   .     S
C1376  H788    1.074   .     S
C1377  H789    1.058   .     S
C1377  C1419   1.405   .     S
C1377  C1378   1.409   .     S
C1378  H790    1.065   .     S
C1378  C1411   1.491   .     S
C1397  H829    1.132   .     S
C1397  C1398   1.406   .     S
C1397  C1423   1.503   .     S
C1398  C1399   1.406   .     S
C1398  H831    1.107   .     S
C1399  C1400   1.407   .     S
C1399  H832    1.143   1_554 S
C1400  C1401   1.426   .     S
C1400  H834    1.104   1_455 S
C1401  H836    1.086   .     S
C1401  C1423   1.393   .     S
H779   C1371   1.100   1_455 S
H791   C1361   1.088   1_455 S
H817   C1427   1.097   .     S
H824   C1434   1.092   .     S
H827   C1428   1.103   .     S
H830   C1433   1.103   .     S
C1404  C1361   1.439   1_455 S
C1404  C1364   1.428   1_455 S
C1409  C1373   1.442   1_455 S
C1478  H840    1.076   .     S
C1478  C1479   1.439   .     S
C1478  C1482   1.453   .     S
C1479  C1515   1.409   .     S
C1479  H842    1.081   .     S
C1480  C1515   1.450   .     S
C1480  C1481   1.458   .     S
C1480  H844    1.100   1_554 S
C1481  H845    1.112   .     S
C1481  C1482   1.396   .     S
C1482  H838    1.130   .     S
C1515  C1446   1.459   1_554 S
N1     C14     1.367   .     S
N1     C17     1.334   .     S
N2     C14     1.340   .     S
N2     C10     1.361   .     S
N3     C10     1.341   .     S
N3     C17     1.333   .     S
N5     C15     1.342   .     S
N5     C12     1.347   1_554 S
N6     C15     1.328   .     S
N6     C19     1.328   1_554 S
N10    C4      1.315   .     S
N10    C6      1.348   .     S
N11    C4      1.362   .     S
N11    C5      1.351   .     S
N12    C6      1.365   .     S
N12    C5      1.389   .     S
N16    C13     1.353   .     S
N16    C9      1.343   .     S
N17    C11     1.383   .     S
N17    C9      1.373   .     S
N18    C11     1.320   .     S
N18    C13     1.332   .     S
N19    C18     1.365   .     S
N19    C128    1.342   .     S
N20    C16     1.326   .     S
N20    C128    1.354   .     S
N21    C18     1.363   .     S
N21    C16     1.316   .     S
N22    C20     1.361   .     S
N22    C22     1.385   .     S
N23    C21     1.347   .     S
N23    C20     1.353   .     S
N24    C22     1.365   .     S
N24    C21     1.345   .     S
N25    C125    1.353   .     S
N25    C24     1.351   .     S
N26    C125    1.308   .     S
N26    C23     1.367   .     S
N27    C23     1.332   .     S
N27    C24     1.353   .     S
C4     C121    1.419   .     S
C5     C113    1.407   .     S
C6     C114    1.384   .     S
C9     C105    1.407   .     S
C10    C117    1.449   .     S
C11    C102    1.482   .     S
C13    C97     1.411   .     S
C14    C107    1.395   .     S
C15    C106    1.411   .     S
C16    C112    1.389   .     S
C17    C104    1.403   .     S
C18    C103    1.466   .     S
C20    C111    1.434   .     S
C21    C99     1.439   .     S
C22    C98     1.440   .     S
C23    C115    1.451   .     S
C24    C101    1.404   .     S
C32    C33     1.416   .     S
C32    H17     1.064   .     S
C32    C31     1.426   1_554 S
C33    H27     1.097   .     S
C33    C34     1.442   .     S
C34    H37     1.155   .     S
C34    C118    1.394   1_554 S
C35    C117    1.419   .     S
C35    C36     1.428   .     S
C35    H48     1.131   .     S
C36    C112    1.421   .     S
C36    H56     1.034   .     S
C37    C112    1.454   .     S
C37    C38     1.405   .     S
C37    H1      1.037   .     S
C38    C117    1.380   .     S
C38    H5      1.123   .     S
C40    H53     1.110   .     S
C40    C106    1.373   .     S
C40    C50     1.410   .     S
C41    C102    1.425   .     S
C41    H20     1.129   .     S
C41    C42     1.409   .     S
C42    C121    1.435   .     S
C42    H24     1.074   .     S
C43    C44     1.429   .     S
C43    C121    1.394   .     S
C43    H29     1.062   .     S
C44    C102    1.392   .     S
C44    H33     1.149   .     S
C45    H39     1.149   .     S
C45    C46     1.420   .     S
C45    C114    1.440   .     S
C46    C98     1.407   .     S
C46    H42     1.108   .     S
C47    H46     1.093   .     S
C47    C98     1.443   .     S
C47    C48     1.442   .     S
C48    H50     1.165   .     S
C48    C114    1.440   .     S
C50    C107    1.411   .     S
C50    H62     1.119   .     S
C51    H72     1.101   .     S
C51    C107    1.441   .     S
C51    C63     1.432   .     S
C53    C57     1.425   .     S
C53    C54     1.391   .     S
C53    H2      1.090   .     S
C54    C97     1.422   .     S
C54    H4      1.108   .     S
C55    C56     1.445   .     S
C55    C97     1.389   .     S
C55    H6      1.121   .     S
C56    H7      1.110   .     S
C56    C57     1.435   .     S
C57    H77     1.067   .     S
C58    H9      1.102   .     S
C58    C59     1.402   .     S
C58    C105    1.421   .     S
C59    H10     1.133   .     S
C59    C60     1.429   .     S
C60    H12     1.081   .     S
C60    C61     1.390   .     S
C61    H14     1.093   .     S
C61    C62     1.413   .     S
C62    H16     1.136   .     S
C62    C105    1.434   .     S
C63    H8      1.071   .     S
C63    C106    1.406   .     S
C64    C104    1.435   .     S
C64    H21     1.119   .     S
C64    C65     1.403   .     S
C65    H23     1.069   .     S
C65    C113    1.362   .     S
C67    H26     1.127   .     S
C67    C73     1.409   .     S
C67    C113    1.404   .     S
C68    H28     1.095   .     S
C68    C69     1.470   .     S
C68    C99     1.445   .     S
C69    H30     1.066   .     S
C69    C115    1.425   .     S
C70    H32     1.115   .     S
C70    C71     1.418   .     S
C70    C115    1.447   .     S
C71    H34     1.089   .     S
C71    C99     1.454   .     S
C73    H38     1.070   .     S
C73    C104    1.399   .     S
C74    C75     1.440   .     S
C74    H40     1.121   .     S
C74    C103    1.430   .     S
C75    H41     1.121   .     S
C75    C76     1.441   .     S
C76    C77     1.443   .     S
C76    H43     1.130   .     S
C77    H44     1.187   .     S
C77    C78     1.405   .     S
C78    H45     1.114   .     S
C78    C103    1.461   .     S
C83    C101    1.431   .     S
C83    C84     1.392   .     S
C83    H54     1.116   .     S
C84    C85     1.384   .     S
C84    H55     1.136   .     S
C85    C86     1.448   .     S
C85    H57     1.105   .     S
C86    C87     1.416   .     S
C86    H58     1.111   .     S
C87    C101    1.415   .     S
C87    H60     1.085   .     S
C88    H63     1.083   .     S
C88    C89     1.440   .     S
C88    C110    1.433   1_554 S
C89    H73     1.157   .     S
C89    C119    1.437   1_554 S
C90    C94     1.431   .     S
C90    H67     1.053   .     S
C90    C91     1.437   .     S
C91    C111    1.403   .     S
C91    H68     1.056   .     S
C92    H69     1.095   .     S
C92    C93     1.408   .     S
C92    C111    1.438   .     S
C93    C94     1.421   .     S
C93    H71     1.104   .     S
C94    H66     1.111   .     S
H15    C39     1.079   1_554 S
H18    C128    1.095   .     S
H35    C125    1.123   .     S
H65    C49     1.118   1_554 S
N70    C266    1.308   .     S
N70    C272    1.322   .     S
N71    C268    1.331   .     S
N71    C266    1.303   .     S
N72    C272    1.343   .     S
N72    C268    1.360   .     S
H151   C312    1.052   .     S
H179   C283    1.087   .     S
H188   C300    1.047   .     S
H189   C302    1.056   .     S
H190   C303    1.135   .     S
H191   C305    1.066   .     S
H192   C307    1.132   .     S
C266   C337    1.426   .     S
C268   C339    1.401   .     S
C272   C332    1.463   .     S
C283   C332    1.455   .     S
C283   C287    1.392   1_655 S
C300   C302    1.465   .     S
C300   C337    1.430   .     S
C302   C303    1.424   .     S
C303   C305    1.427   .     S
C305   C307    1.411   .     S
C307   C337    1.432   .     S
C312   C339    1.428   .     S
C312   C301    1.455   1_565 S
C313   C339    1.434   .     S
C313   H171    1.134   1_655 S
C313   C306    1.371   1_665 S
C332   C298    1.455   1_655 S
N94    C340    1.348   .     S
N94    C357    1.364   .     S
N95    C365    1.308   .     S
N95    C357    1.370   .     S
N96    C365    1.360   .     S
N96    C340    1.349   .     S
N97    C353    1.307   .     S
N97    C359    1.344   .     S
N98    C353    1.345   .     S
N98    C355    1.306   .     S
N99    C359    1.349   .     S
N99    C355    1.377   .     S
N103   C346    1.347   .     S
N103   C344    1.349   .     S
N104   C344    1.369   .     S
N104   C345    1.356   .     S
N105   C345    1.314   .     S
N105   C346    1.328   .     S
N106   C347    1.362   .     S
N106   C349    1.346   .     S
N107   C347    1.331   .     S
N107   C348    1.332   .     S
N108   C349    1.329   .     S
N108   C348    1.355   .     S
N118   C368    1.351   .     S
N118   C361    1.350   .     S
N119   C368    1.331   .     S
N119   C369    1.326   .     S
N120   C369    1.341   .     S
N120   C361    1.378   .     S
C340   C439    1.397   .     S
C344   C442    1.423   .     S
C345   C438    1.393   .     S
C346   C448    1.442   .     S
C347   C446    1.415   .     S
C348   C447    1.436   .     S
C349   C459    1.415   .     S
C353   C445    1.453   .     S
C355   C456    1.462   .     S
C357   C458    1.450   .     S
C359   C454    1.416   .     S
C361   C444    1.436   .     S
C365   H225    1.173   .     S
C368   H245    1.078   .     S
C369   H246    1.109   .     S
H202   C421    1.119   .     S
H204   C376    1.075   .     S
H205   C388    1.086   .     S
H206   C411    1.110   .     S
H207   C432    1.092   .     S
H217   C396    1.108   .     S
H219   C420    1.092   .     S
H226   C390    1.096   .     S
H227   C406    1.149   .     S
H228   C415    1.139   .     S
H230   C426    1.075   .     S
H231   C430    1.141   .     S
H232   C435    1.069   .     S
H233   C373    1.137   .     S
H243   C423    1.117   .     S
H244   C419    1.080   .     S
H247   C393    1.133   .     S
H248   C418    1.091   .     S
H253   C404    1.109   .     S
H254   C405    1.143   .     S
H255   C407    1.106   .     S
H256   C408    1.107   .     S
H257   C409    1.117   .     S
H258   C394    1.110   .     S
H260   C413    1.124   .     S
H261   C414    1.067   .     S
H264   C417    1.064   .     S
H265   C429    1.148   .     S
H266   C422    1.156   .     S
H267   C424    1.107   .     S
H268   C425    1.078   .     S
H269   C427    1.106   .     S
C373   C444    1.485   .     S
C373   C435    1.474   .     S
C376   C388    1.405   .     S
C376   C449    1.436   .     S
C388   C442    1.455   .     S
C390   C415    1.430   .     S
C390   C458    1.454   .     S
C393   C448    1.426   .     S
C393   C423    1.439   .     S
C394   C419    1.432   .     S
C394   C459    1.395   .     S
C396   C458    1.440   .     S
C396   C421    1.471   .     S
C404   C405    1.430   .     S
C404   C447    1.445   .     S
C405   C407    1.474   .     S
C406   C454    1.460   .     S
C406   C383    1.454   1_565 S
C407   C408    1.450   .     S
C408   C409    1.490   .     S
C409   C447    1.409   .     S
C411   C432    1.402   .     S
C411   C442    1.456   .     S
C413   C448    1.446   .     S
C413   C417    1.412   .     S
C414   C459    1.469   .     S
C414   C420    1.438   .     S
C415   C445    1.439   .     S
C417   C439    1.400   .     S
C418   C454    1.394   .     S
C418   C381    1.409   1_565 S
C419   C438    1.415   .     S
C420   C438    1.460   .     S
C421   C445    1.400   .     S
C422   C429    1.403   .     S
C422   C424    1.418   .     S
C423   C439    1.382   .     S
C424   C446    1.413   .     S
C425   C427    1.422   .     S
C425   C446    1.441   .     S
C426   C430    1.421   .     S
C426   C444    1.416   .     S
C427   C429    1.424   .     S
C430   C456    1.453   .     S
C432   C449    1.393   .     S
C435   C456    1.423   .     S
C449   C351    1.467   1_565 S
N148   C473    1.319   .     S
N148   C474    1.332   .     S
N149   C473    1.337   .     S
N149   C550    1.402   .     S
N150   C550    1.313   .     S
N150   C474    1.317   .     S
C473   C544    1.462   1_565 S
C474   C534    1.444   .     S
C502   C534    1.446   .     S
C502   H279    1.140   .     S
C502   C501    1.450   1_655 S
C503   C504    1.440   .     S
C503   H281    1.086   .     S
C503   C534    1.400   .     S
C504   H282    1.134   .     S
C504   C547    1.424   1_655 S
H286   C550    1.116   .     S
N293   C927    1.354   .     S
N294   C927    1.362   .     S
N294   C928    1.387   .     S
N307   C1045   1.318   .     S
N307   C938    1.353   .     S
N308   C1045   1.338   .     S
N308   C1037   1.343   .     S
N309   C1037   1.361   .     S
N309   C938    1.357   .     S
C927   C1021   1.432   .     S
C928   C1024   1.391   .     S
C938   C1016   1.435   1_565 S
C942   C943    1.435   .     S
C942   C1021   1.438   .     S
C942   H536    1.088   .     S
C943   H546    1.120   .     S
C943   C1010   1.456   1_565 S
C945   H570    1.068   .     S
C945   C1021   1.416   .     S
C945   C944    1.426   1_565 S
C973   C1024   1.426   .     S
C973   C974    1.391   .     S
C973   H556    1.038   .     S
C974   H557    1.103   .     S
C994   H593    1.134   .     S
C994   C993    1.438   1_565 S
C994   C1016   1.478   1_565 S
H597   C1045   1.095   .     S
H599   C1037   1.084   .     S
N406   C1332   1.358   .     S
N406   C1333   1.362   .     S
N407   C1330   1.345   .     S
N407   C1332   1.330   .     S
N408   C1333   1.317   .     S
N408   C1330   1.339   .     S
N409   C1331   1.355   .     S
N409   C1334   1.350   .     S
N410   C1426   1.395   .     S
N410   C1331   1.384   .     S
N411   C1426   1.330   .     S
N411   C1334   1.367   .     S
N412   C1337   1.376   .     S
N412   C1335   1.395   .     S
N413   C1336   1.312   .     S
N413   C1335   1.376   .     S
N414   C1336   1.353   .     S
N414   C1337   1.308   .     S
N415   C1338   1.352   .     S
N415   C1340   1.369   .     S
N416   C1339   1.376   .     S
N416   C1338   1.344   .     S
N417   C1339   1.335   .     S
N417   C1340   1.308   .     S
N418   C1341   1.348   .     S
N418   C1343   1.313   .     S
N419   C1342   1.365   .     S
N419   C1341   1.345   .     S
N420   C1343   1.356   .     S
N420   C1342   1.349   .     S
N424   C1430   1.346   .     S
N424   C1346   1.333   .     S
N425   C1346   1.366   .     S
N425   C1424   1.330   .     S
N427   C1432   1.318   .     S
N427   C1347   1.371   .     S
N428   C1429   1.334   .     S
N428   C1347   1.332   .     S
N433   C1431   1.313   .     S
N433   C1350   1.372   .     S
N434   C1350   1.322   .     S
N434   C1425   1.321   .     S
N435   C1431   1.389   .     S
N435   C1425   1.381   .     S
C1330  C1414   1.427   .     S
C1331  C1406   1.437   .     S
C1332  C1412   1.400   .     S
C1333  C1402   1.427   .     S
C1334  C1403   1.469   .     S
C1335  C1422   1.412   .     S
C1336  C1405   1.446   .     S
C1337  C1420   1.461   .     S
C1338  C1417   1.428   .     S
C1339  C1410   1.424   .     S
C1340  C1407   1.435   .     S
C1341  C1413   1.449   .     S
C1342  C1418   1.378   .     S
C1343  C1408   1.442   .     S
C1346  C1421   1.424   .     S
C1347  C1415   1.471   .     S
C1350  C1416   1.438   .     S
C1352  C1406   1.401   .     S
C1352  C1353   1.420   .     S
C1352  H825    1.143   .     S
C1353  H781    1.073   .     S
C1353  C1418   1.445   .     S
C1354  C1355   1.414   .     S
C1354  H835    1.156   .     S
C1354  C1418   1.445   .     S
C1355  H785    1.079   .     S
C1355  C1406   1.431   .     S
C1356  C1393   1.390   .     S
C1356  H812    1.102   .     S
C1356  C1420   1.439   .     S
C1357  H833    1.112   .     S
C1357  C1422   1.443   .     S
C1357  C1358   1.421   .     S
C1358  H778    1.097   .     S
C1358  C1415   1.430   .     S
C1359  C1360   1.486   .     S
C1359  C1415   1.409   .     S
C1359  H783    1.128   .     S
C1360  H787    1.025   .     S
C1360  C1422   1.442   .     S
C1361  C1362   1.420   .     S
C1361  C1404   1.439   1_655 S
C1361  H791    1.088   1_655 S
C1362  C1408   1.448   .     S
C1362  H795    1.058   .     S
C1363  C1408   1.410   .     S
C1363  H799    1.070   .     S
C1363  C1364   1.444   .     S
C1364  H802    1.122   .     S
C1364  C1404   1.428   1_655 S
C1365  H811    1.055   .     S
C1365  C1366   1.420   .     S
C1365  C1416   1.479   .     S
C1366  C1405   1.395   .     S
C1366  H815    1.123   .     S
C1367  C1368   1.472   .     S
C1367  H821    1.132   .     S
C1367  C1405   1.419   .     S
C1368  C1416   1.384   .     S
C1368  H826    1.118   .     S
C1369  H807    1.129   .     S
C1369  C1395   1.411   .     S
C1369  C1402   1.435   .     S
C1370  H777    1.115   .     S
C1370  C1388   1.470   .     S
C1370  C1403   1.412   .     S
C1371  C1417   1.394   .     S
C1371  H779    1.100   1_655 S
C1371  C1372   1.403   1_655 S
C1373  H782    1.071   .     S
C1373  C1374   1.461   .     S
C1373  C1409   1.442   1_655 S
C1374  H784    1.119   .     S
C1374  C1417   1.412   .     S
C1379  C1413   1.452   .     S
C1379  H792    1.176   .     S
C1379  C1380   1.378   .     S
C1380  C1381   1.381   .     S
C1380  H794    1.103   .     S
C1381  H796    1.119   .     S
C1381  C1382   1.436   .     S
C1382  H797    1.075   .     S
C1382  C1383   1.410   .     S
C1383  C1413   1.425   .     S
C1383  H798    1.134   .     S
C1384  H800    1.135   .     S
C1384  C1407   1.390   .     S
C1384  C1385   1.409   .     S
C1385  H801    1.063   .     S
C1385  C1421   1.477   .     S
C1386  H803    1.114   .     S
C1386  C1421   1.447   .     S
C1386  C1387   1.395   .     S
C1387  C1407   1.454   .     S
C1387  H804    1.084   .     S
C1388  H808    1.140   .     S
C1388  C1414   1.435   .     S
C1389  H813    1.069   .     S
C1389  C1414   1.417   .     S
C1389  C1391   1.429   .     S
C1390  C1396   1.415   .     S
C1390  C1410   1.436   .     S
C1390  H818    1.045   .     S
C1391  H816    1.100   .     S
C1391  C1403   1.426   .     S
C1392  H820    1.123   .     S
C1392  C1394   1.418   .     S
C1392  C1410   1.408   .     S
C1393  C1402   1.448   .     S
C1393  H793    1.161   .     S
C1394  C1412   1.414   .     S
C1394  H823    1.086   .     S
C1395  C1420   1.407   .     S
C1395  H806    1.101   .     S
C1396  H828    1.063   .     S
C1396  C1412   1.389   .     S
H776   C1426   1.061   .     S
H809   C1424   1.163   .     S
H810   C1432   1.140   .     S
H819   C1431   1.099   .     S
H822   C1425   1.093   .     S
H834   C1400   1.104   1_655 S
C1424  N426    1.387   1_565 S
C1429  N429    1.371   1_565 S
C1429  H814    1.118   1_565 S
C1430  N426    1.350   1_565 S
C1430  H805    1.086   1_565 S
C1432  N429    1.349   1_565 S
N487   C1560   1.319   .     S
N487   C1562   1.363   1_554 S
N493   C1565   1.339   .     S
N493   C1564   1.337   .     S
N494   C1564   1.370   .     S
N494   C1637   1.307   .     S
N495   C1565   1.383   .     S
N495   C1637   1.366   .     S
C1560  C1632   1.428   .     S
C1560  N488    1.350   1_554 S
C1564  C1619   1.416   .     S
C1565  C1624   1.416   .     S
C1591  C1592   1.431   .     S
C1591  H913    1.128   .     S
C1591  C1632   1.416   .     S
C1592  H914    1.104   .     S
C1592  C1619   1.379   .     S
C1593  H916    1.135   .     S
C1593  C1619   1.398   .     S
C1593  C1594   1.386   .     S
C1594  C1632   1.435   .     S
C1594  H917    1.095   .     S
C1608  H947    1.099   .     S
C1608  C1609   1.414   .     S
C1608  C1612   1.399   .     S
C1609  H948    1.122   .     S
C1609  C1624   1.428   .     S
C1610  H950    1.137   .     S
C1610  C1611   1.402   .     S
C1610  C1624   1.439   .     S
C1611  C1612   1.423   .     S
C1611  H952    1.095   .     S
C1612  H945    1.091   .     S
H925   C1598   1.108   1_554 S
H926   C1599   1.122   1_554 S
H943   C1637   1.065   .     S
N122   C370    1.301   .     S
N122   C362    1.322   .     S
N123   C362    1.345   .     S
N123   C363    1.357   1_455 S
C362   C457    1.424   .     S
C370   N121    1.351   1_455 S
C370   H259    1.151   1_545 S
H272   C433    1.103   .     S
C433   C457    1.429   .     S
C433   C431    1.472   .     S
C457   C434    1.417   .     S
N130   C482    1.337   .     S
N130   C477    1.300   1_556 S
N132   C482    1.330   .     S
N132   C480    1.367   .     S
N136   C554    1.344   .     S
N136   C466    1.317   .     S
N138   C554    1.303   .     S
N138   C467    1.347   1_556 S
C466   C535    1.387   .     S
C466   N137    1.375   1_556 S
C480   C549    1.343   .     S
C480   N131    1.290   1_556 S
C482   C532    1.430   .     S
C486   C493    1.366   .     S
C486   H288    1.108   .     S
C486   C535    1.506   .     S
C493   H312    1.109   .     S
C493   C549    1.415   .     S
C494   H310    1.119   .     S
C494   C532    1.428   .     S
C494   C499    1.430   .     S
C499   H276    1.102   .     S
C499   C539    1.397   1_545 S
C505   C506    1.390   .     S
C505   H285    1.080   1_545 S
C505   C539    1.477   1_545 S
C506   H296    1.125   .     S
C506   C532    1.414   .     S
H283   C556    1.089   1_545 S
H314   C554    1.140   .     S
C535   C484    1.439   1_556 S
C549   C523    1.449   1_556 S
N160   C564    1.328   .     S
N160   C566    1.383   .     S
N161   C564    1.357   .     S
N161   C562    1.351   .     S
N162   C566    1.317   .     S
N162   C562    1.327   .     S
N163   C567    1.355   .     S
N163   C563    1.317   .     S
N164   C563    1.287   .     S
N164   C565    1.296   .     S
N165   C567    1.349   .     S
N165   C565    1.292   .     S
N166   C570    1.361   .     S
N166   C568    1.336   .     S
N167   C568    1.335   .     S
N167   C569    1.336   .     S
N168   C570    1.341   .     S
N168   C569    1.321   .     S
N169   C571    1.365   .     S
N169   C573    1.372   .     S
N170   C572    1.340   .     S
N170   C571    1.339   .     S
N171   C572    1.358   .     S
N171   C573    1.299   .     S
N172   C575    1.338   .     S
N172   C678    1.378   .     S
N173   C678    1.347   .     S
N173   C574    1.386   .     S
N174   C574    1.348   .     S
N174   C575    1.331   .     S
N175   C683    1.349   .     S
N175   C576    1.354   .     S
N176   C576    1.314   .     S
N176   C577    1.402   .     S
N177   C683    1.348   .     S
N177   C577    1.328   .     S
N178   C680    1.334   .     S
N178   C579    1.341   .     S
N179   C578    1.337   .     S
N179   C680    1.372   .     S
N180   C578    1.337   .     S
N180   C579    1.306   .     S
C562   C660    1.444   .     S
C563   C667    1.466   .     S
C564   C666    1.444   .     S
C565   C665    1.435   .     S
C566   C659    1.433   .     S
C567   C673    1.433   .     S
C568   C653    1.451   .     S
C569   C669    1.407   .     S
C570   C677    1.420   .     S
C571   C676    1.425   .     S
C572   C674    1.434   .     S
C573   C655    1.427   .     S
C574   C675    1.422   .     S
C575   C661    1.501   .     S
C576   C670    1.464   .     S
C577   C662    1.441   .     S
C578   C664    1.429   .     S
C579   C668    1.477   .     S
C588   H352    1.131   .     S
C588   C673    1.440   .     S
C588   C590    1.431   .     S
C589   C600    1.411   .     S
C589   H344    1.140   .     S
C589   C624    1.432   .     S
C590   H337    1.043   .     S
C590   C660    1.436   .     S
C591   H365    1.105   .     S
C591   C669    1.417   .     S
C591   C592    1.406   .     S
C592   H392    1.118   .     S
C592   C593    1.400   .     S
C593   H339    1.062   .     S
C593   C594    1.412   .     S
C594   H347    1.102   .     S
C594   C595    1.449   .     S
C595   H357    1.112   .     S
C595   C669    1.454   .     S
C596   C597    1.380   .     S
C596   H369    1.087   .     S
C596   C653    1.428   .     S
C597   C676    1.446   .     S
C597   H378    1.089   .     S
C598   C599    1.421   .     S
C598   H394    1.139   .     S
C598   C676    1.435   .     S
C599   C653    1.450   .     S
C599   H333    1.065   .     S
C600   H342    1.037   .     S
C600   C665    1.408   .     S
C601   H386    1.121   .     S
C601   C660    1.411   .     S
C601   C611    1.419   .     S
C602   H349    1.103   .     S
C602   C674    1.445   .     S
C602   C603    1.435   .     S
C603   C675    1.425   .     S
C603   H353    1.095   .     S
C604   C605    1.392   .     S
C604   H358    1.100   .     S
C604   C675    1.425   .     S
C605   H362    1.107   .     S
C605   C674    1.426   .     S
C606   H367    1.056   .     S
C606   C655    1.421   .     S
C606   C607    1.432   .     S
C607   C608    1.365   .     S
C607   H371    1.152   .     S
C608   H374    1.132   .     S
C608   C609    1.420   .     S
C609   H379    1.076   .     S
C609   C610    1.443   .     S
C610   H383    1.094   .     S
C610   C655    1.438   .     S
C611   H396    1.133   .     S
C611   C673    1.399   .     S
C612   C665    1.407   .     S
C612   H398    1.143   .     S
C612   C613    1.455   .     S
C613   H334    1.090   .     S
C613   C624    1.454   .     S
C614   C623    1.437   .     S
C614   C666    1.410   .     S
C614   H335    1.113   .     S
C616   C661    1.405   .     S
C616   C615    1.461   .     S
C616   H338    1.070   .     S
C617   C618    1.402   .     S
C617   C661    1.431   .     S
C617   H340    1.139   .     S
C618   H341    1.106   .     S
C618   C672    1.467   .     S
C620   H345    1.096   .     S
C620   C662    1.440   .     S
C620   C619    1.411   1_545 S
C621   H346    1.134   .     S
C621   C662    1.379   .     S
C621   C622    1.376   1_545 S
C623   C670    1.443   .     S
C623   H351    1.118   .     S
C624   H332    1.079   .     S
C625   H354    1.097   .     S
C625   C664    1.402   .     S
C625   C628    1.423   .     S
C626   C627    1.412   .     S
C626   H355    1.073   .     S
C626   C670    1.436   .     S
C627   C666    1.442   .     S
C627   H360    1.106   .     S
C628   H361    1.116   .     S
C628   C667    1.438   .     S
C629   C638    1.439   .     S
C629   H376    1.109   .     S
C629   C677    1.413   .     S
C634   C668    1.403   .     S
C634   H370    1.105   .     S
C634   C635    1.410   .     S
C635   H372    1.111   .     S
C635   C663    1.436   1_455 S
C637   H375    1.147   .     S
C637   C668    1.419   .     S
C637   C636    1.467   1_455 S
C638   H380    1.095   .     S
C638   C659    1.427   .     S
C639   C645    1.381   .     S
C639   C667    1.491   .     S
C639   H381    1.099   .     S
C644   C659    1.441   .     S
C644   H390    1.092   .     S
C644   C651    1.436   .     S
C645   H403    1.104   .     S
C645   C664    1.407   .     S
C651   H404    1.140   .     S
C651   C677    1.459   .     S
H350   C680    1.145   .     S
H366   C632    1.093   .     S
H368   C633    1.140   .     S
H391   C678    1.095   .     S
H395   C647    1.103   1_455 S
H400   C683    1.097   .     S
H405   C684    1.085   .     S
N221   C760    1.365   .     S
N221   C704    1.313   1_545 S
N222   C760    1.294   .     S
N222   C763    1.320   1_545 S
H447   C760    1.105   .     S
C855   C854    1.446   .     S
C855   C856    1.500   1_545 S
C855   H514    1.058   1_545 S
N325   C1056   1.340   .     S
N325   C1058   1.358   .     S
N326   C1056   1.319   .     S
N326   C1057   1.372   .     S
N327   C1058   1.355   .     S
N327   C1057   1.340   .     S
N334   C1158   1.315   .     S
N334   C1164   1.336   .     S
N335   C1158   1.332   .     S
N335   C1063   1.379   .     S
N336   C1164   1.380   .     S
N336   C1063   1.386   .     S
N346   C1068   1.362   .     S
N346   C1168   1.359   .     S
N347   C1160   1.331   .     S
N347   C1068   1.340   .     S
N348   C1160   1.370   .     S
N348   C1168   1.347   .     S
N352   C1165   1.343   .     S
N352   C1170   1.319   1_455 S
C1056  C1134   1.399   .     S
C1057  C1141   1.391   .     S
C1058  C1130   1.385   .     S
C1063  C1138   1.420   .     S
C1068  C1146   1.426   .     S
C1079  C1080   1.394   .     S
C1079  H622    1.126   .     S
C1079  C1141   1.448   .     S
C1080  C1145   1.423   .     S
C1080  H632    1.073   .     S
C1081  C1082   1.420   .     S
C1081  C1145   1.428   .     S
C1081  H648    1.052   .     S
C1082  C1141   1.427   .     S
C1082  H662    1.072   .     S
C1092  C1134   1.407   .     S
C1092  H666    1.108   .     S
C1092  C1091   1.404   .     S
C1093  C1094   1.435   .     S
C1093  H672    1.132   .     S
C1093  C1134   1.372   .     S
C1094  C1148   1.443   .     S
C1094  H674    1.057   .     S
C1097  H620    1.144   .     S
C1097  C1130   1.428   .     S
C1097  C1098   1.414   .     S
C1098  H621    1.169   .     S
C1098  C1138   1.411   .     S
C1099  C1100   1.425   .     S
C1099  H623    1.144   .     S
C1099  C1138   1.427   .     S
C1100  H625    1.085   .     S
C1100  C1130   1.410   .     S
C1113  C1146   1.408   .     S
C1113  C1114   1.435   .     S
C1113  H649    1.122   .     S
C1114  H651    1.082   .     S
C1114  C1139   1.399   .     S
H641   C1158   1.151   .     S
H665   C1168   1.072   .     S
H668   C1160   1.070   .     S
H681   C1165   1.060   .     S
C1145  C1055   1.436   1_455 S
C1146  C1116   1.455   .     S
C1148  C1091   1.425   .     S
C1148  C1062   1.417   .     S
C1164  H639    1.075   .     S
C1165  N353    1.312   1_455 S
N31    C123    1.359   .     S
N31    C26     1.337   .     S
N32    C123    1.316   .     S
N32    C126    1.375   .     S
N33    C126    1.347   .     S
N33    C26     1.361   .     S
C26    C116    1.421   .     S
C79    C116    1.416   .     S
C79    C80     1.388   .     S
C79    H47     1.085   .     S
C80    H49     1.129   .     S
C80    C108    1.414   1_545 S
C82    C116    1.446   .     S
C82    C81     1.441   1_545 S
C82    H52     1.089   1_545 S
H74    C123    1.104   .     S
H75    C126    1.108   .     S
N109   C352    1.355   .     S
N109   C350    1.332   1_556 S
N115   C358    1.381   .     S
N115   C360    1.358   .     S
N116   C358    1.301   .     S
N116   C367    1.353   .     S
N117   C360    1.311   .     S
N117   C367    1.350   .     S
N121   C363    1.355   .     S
N121   C370    1.351   1_655 S
N124   C371    1.300   .     S
N124   C372    1.360   .     S
N125   C371    1.326   .     S
N125   C364    1.302   .     S
N126   C372    1.354   .     S
N126   C364    1.365   .     S
C352   C455    1.474   .     S
C352   N111    1.335   1_556 S
C358   C453    1.464   .     S
C360   C462    1.436   .     S
C363   C450    1.412   .     S
C363   N123    1.357   1_655 S
C364   C443    1.429   .     S
C367   H229    1.104   .     S
C371   H263    1.065   .     S
C372   H262    1.173   .     S
H221   C395    1.099   .     S
H222   C398    1.097   .     S
H223   C401    1.175   .     S
H234   C375    1.132   .     S
H235   C377    1.107   .     S
H236   C379    1.088   .     S
H237   C380    1.119   .     S
H250   C399    1.123   .     S
H251   C400    1.086   .     S
H252   C402    1.101   .     S
H270   C437    1.115   .     S
H273   C434    1.073   .     S
H274   C436    1.077   .     S
C375   C462    1.448   .     S
C375   C377    1.447   .     S
C377   C450    1.438   .     S
C379   C380    1.456   .     S
C379   C450    1.440   .     S
C380   C462    1.446   .     S
C391   C455    1.421   .     S
C391   C395    1.468   .     S
C391   H220    1.174   1_556 S
C395   C453    1.396   .     S
C398   C401    1.405   .     S
C398   C453    1.430   .     S
C399   C443    1.439   .     S
C399   C397    1.430   1_556 S
C400   C443    1.372   .     S
C400   C402    1.429   .     S
C401   C455    1.420   .     S
C402   C452    1.429   .     S
C431   C437    1.425   .     S
C431   H271    1.077   1_556 S
C434   C436    1.418   .     S
C436   C437    1.459   .     S
C452   C397    1.435   1_556 S
C452   C350    1.392   1_556 S
N184   C582    1.392   .     S
N184   C686    1.379   .     S
N185   C583    1.352   .     S
N185   C582    1.351   .     S
N186   C583    1.351   .     S
N186   C686    1.333   .     S
N187   C585    1.320   .     S
N187   C685    1.331   .     S
N188   C685    1.306   .     S
N188   C584    1.326   .     S
N189   C585    1.394   .     S
N189   C584    1.354   .     S
N193   C587    1.342   .     S
N193   C687    1.367   .     S
N194   C587    1.360   .     S
N194   C684    1.352   .     S
N195   C684    1.342   .     S
N195   C687    1.328   .     S
C582   C672    1.465   .     S
C583   C652    1.411   .     S
C584   C663    1.417   .     S
C585   C671    1.410   .     S
C587   C657    1.479   .     S
C615   H336    1.136   .     S
C615   C672    1.450   .     S
C630   H363    1.065   .     S
C630   C657    1.454   .     S
C630   C631    1.425   .     S
C631   H364    1.108   .     S
C631   C652    1.462   .     S
C632   C633    1.418   .     S
C632   C652    1.399   .     S
C633   C657    1.402   .     S
C636   H373    1.088   .     S
C636   C663    1.406   .     S
C636   C637    1.467   1_655 S
C646   H393    1.140   .     S
C646   C647    1.421   .     S
C646   C671    1.439   .     S
C647   C648    1.401   .     S
C647   H395    1.103   1_655 S
C648   H397    1.115   .     S
C648   C649    1.407   .     S
C649   C650    1.425   .     S
C649   H399    1.124   .     S
C650   C671    1.456   .     S
C650   H401    1.117   .     S
H359   C686    1.091   .     S
H377   C685    1.063   .     S
H402   C687    1.078   .     S
C663   C635    1.436   1_655 S
H578   C1047   1.093   1_556 S
N316   C1070   1.322   .     S
N316   C1076   1.365   1_556 S
N317   C1070   1.352   .     S
N317   C1073   1.351   1_556 S
N322   C1053   1.340   .     S
N322   C1055   1.360   .     S
N323   C1054   1.326   .     S
N323   C1053   1.333   .     S
N324   C1054   1.351   .     S
N324   C1055   1.331   .     S
N328   C1059   1.372   .     S
N328   C1060   1.358   .     S
N329   C1059   1.373   .     S
N329   C1155   1.333   .     S
N330   C1155   1.362   .     S
N330   C1060   1.321   .     S
N331   C1169   1.350   .     S
N331   C1062   1.349   .     S
N332   C1061   1.342   .     S
N332   C1169   1.326   .     S
N333   C1062   1.365   .     S
N333   C1061   1.375   .     S
N337   C1156   1.378   .     S
N337   C1166   1.360   .     S
N338   C1064   1.343   .     S
N338   C1156   1.320   .     S
N339   C1166   1.385   .     S
N339   C1064   1.369   .     S
N343   C1161   1.318   .     S
N343   C1067   1.351   .     S
N344   C1067   1.407   .     S
N344   C1159   1.410   .     S
N345   C1159   1.343   .     S
N345   C1161   1.360   .     S
N353   C1075   1.323   .     S
N353   C1165   1.312   1_655 S
N354   C1075   1.368   .     S
N354   C1170   1.286   .     S
C1053  C1142   1.432   .     S
C1054  C1140   1.445   .     S
C1055  C1145   1.436   1_655 S
C1059  C1153   1.452   .     S
C1060  C1154   1.467   .     S
C1061  C1139   1.431   .     S
C1064  C1131   1.441   .     S
C1067  C1135   1.419   .     S
C1070  C1150   1.437   .     S
C1075  C1147   1.429   .     S
C1083  H677    1.063   .     S
C1083  C1154   1.425   .     S
C1083  C1084   1.465   .     S
C1084  C1142   1.427   .     S
C1084  H619    1.078   .     S
C1085  H624    1.066   .     S
C1085  C1142   1.401   .     S
C1085  C1086   1.480   .     S
C1086  C1154   1.431   .     S
C1086  H627    1.105   .     S
C1090  H652    1.094   .     S
C1090  C1131   1.444   .     S
C1090  C1095   1.430   .     S
C1091  H659    1.139   .     S
C1095  C1133   1.403   .     S
C1095  H616    1.150   1_556 S
C1096  C1140   1.395   .     S
C1096  C1110   1.443   .     S
C1096  H618    1.108   .     S
C1105  C1135   1.407   .     S
C1105  C1106   1.441   .     S
C1105  H633    1.108   .     S
C1106  H634    1.086   .     S
C1106  C1153   1.461   .     S
C1107  C1153   1.448   .     S
C1107  H636    1.075   .     S
C1107  C1108   1.405   .     S
C1108  H638    1.098   .     S
C1108  C1135   1.458   .     S
C1109  C1133   1.418   .     S
C1109  H642    1.089   .     S
C1109  C1111   1.424   .     S
C1110  H647    1.045   .     S
C1110  C1150   1.460   .     S
C1111  H645    1.080   .     S
C1111  C1131   1.485   .     S
C1115  H653    1.113   .     S
C1115  C1139   1.433   .     S
C1115  C1116   1.439   .     S
C1116  H654    1.068   .     S
C1118  C1121   1.397   .     S
C1118  H661    1.117   .     S
C1118  C1150   1.464   .     S
C1119  H664    1.086   .     S
C1119  C1120   1.424   1_556 S
C1119  C1129   1.424   1_556 S
C1121  H670    1.119   .     S
C1121  C1140   1.423   .     S
C1124  C1152   1.431   .     S
C1124  H673    1.098   .     S
C1124  C1125   1.407   .     S
C1125  H675    1.115   .     S
C1125  C1147   1.446   .     S
C1126  C1127   1.444   .     S
C1126  C1147   1.419   .     S
C1126  H676    1.053   .     S
C1127  H678    1.126   .     S
C1127  C1152   1.412   .     S
H615   C1169   1.053   .     S
H643   C1089   1.095   1_556 S
H644   C1166   1.100   .     S
H646   C1156   1.136   .     S
H650   C1155   1.121   .     S
H660   C1161   1.129   .     S
H663   C1159   1.098   .     S
H667   C1120   1.097   1_556 S
H679   C1170   1.113   .     S
C1133  C1074   1.415   1_556 S
C1152  C1066   1.436   1_556 S
C1170  N352    1.319   1_655 S
H541   C1049   1.150   1_556 S
H64    C129    1.068   .     S
C129   N29     1.369   1_455 S
C129   N30     1.328   1_455 S
N34    C153    1.337   .     S
N34    C150    1.335   .     S
N35    C150    1.332   .     S
N35    C147    1.358   .     S
N36    C147    1.305   .     S
N36    C153    1.337   .     S
N37    C149    1.366   .     S
N37    C247    1.305   .     S
N38    C149    1.414   .     S
N38    C152    1.337   .     S
N39    C152    1.317   .     S
N39    C247    1.343   .     S
N40    C130    1.348   .     S
N40    C251    1.344   .     S
N41    C131    1.401   .     S
N41    C130    1.322   .     S
N42    C251    1.350   .     S
N42    C131    1.368   .     S
N43    C132    1.345   .     S
N43    C134    1.314   .     S
N44    C132    1.348   .     S
N44    C133    1.336   .     S
N45    C134    1.329   .     S
N45    C133    1.385   .     S
N49    C139    1.329   .     S
N49    C137    1.323   .     S
N50    C137    1.402   .     S
N50    C138    1.338   .     S
N51    C138    1.359   .     S
N51    C139    1.354   .     S
N52    C140    1.344   .     S
N52    C245    1.322   .     S
N53    C140    1.309   .     S
N53    C141    1.359   .     S
N54    C245    1.330   .     S
N54    C141    1.326   .     S
N58    C145    1.317   .     S
N58    C146    1.373   .     S
N59    C248    1.308   .     S
N59    C145    1.378   .     S
N60    C248    1.424   .     S
N60    C146    1.376   .     S
N61    C151    1.323   .     S
N61    C148    1.337   .     S
N62    C148    1.309   .     S
N62    C252    1.333   .     S
N63    C252    1.339   .     S
N63    C151    1.348   .     S
N64    C250    1.343   .     S
N64    C249    1.335   .     S
N65    C154    1.368   .     S
N65    C250    1.361   .     S
N66    C154    1.358   .     S
N66    C249    1.377   .     S
C130   C236    1.448   .     S
C131   C226    1.435   .     S
C132   C235    1.402   .     S
C133   C221    1.446   .     S
C134   C240    1.422   .     S
C137   C243    1.426   .     S
C138   C233    1.401   .     S
C139   C234    1.448   .     S
C140   C222    1.459   .     S
C141   C230    1.435   .     S
C145   C238    1.407   .     S
C146   C231    1.453   .     S
C147   C239    1.393   .     S
C148   C229    1.468   .     S
C149   C232    1.444   .     S
C150   C224    1.394   .     S
C151   C242    1.426   .     S
C152   C223    1.426   .     S
C153   C228    1.401   .     S
C154   C227    1.438   .     S
C155   H134    1.093   .     S
C155   C214    1.387   .     S
C155   C221    1.446   .     S
C156   C221    1.439   .     S
C156   H83     1.112   .     S
C156   C157    1.420   1_455 S
C158   H79     1.074   .     S
C158   C226    1.421   .     S
C158   C159    1.431   .     S
C159   H88     1.093   .     S
C159   C231    1.432   .     S
C160   C231    1.429   .     S
C160   H100    1.204   .     S
C160   C161    1.464   .     S
C161   H112    1.120   .     S
C161   C226    1.413   .     S
C162   H145    1.083   .     S
C162   C223    1.447   .     S
C162   C194    1.453   .     S
C163   H149    1.110   .     S
C163   C176    1.410   .     S
C163   C232    1.418   .     S
C168   C224    1.431   .     S
C168   H97     1.114   .     S
C168   C169    1.405   .     S
C169   C233    1.443   .     S
C169   H104    1.079   .     S
C170   H110    1.072   .     S
C170   C233    1.454   .     S
C170   C171    1.417   .     S
C171   H114    1.098   .     S
C171   C224    1.421   .     S
C172   C173    1.426   .     S
C172   C222    1.452   .     S
C172   H117    1.093   .     S
C173   C235    1.386   .     S
C173   H121    1.118   .     S
C174   C175    1.451   .     S
C174   C235    1.423   .     S
C174   H126    1.082   .     S
C175   C222    1.411   .     S
C175   H130    1.134   .     S
C176   H136    1.134   .     S
C176   C236    1.428   .     S
C177   H140    1.115   .     S
C177   C183    1.414   .     S
C177   C240    1.406   .     S
C178   C179    1.451   .     S
C178   H147    1.098   .     S
C178   C182    1.421   .     S
C179   C234    1.444   .     S
C179   H78     1.136   .     S
C180   H80     1.130   .     S
C180   C181    1.431   .     S
C180   C234    1.424   .     S
C181   H82     1.101   .     S
C181   C182    1.381   .     S
C182   H143    1.125   .     S
C183   C239    1.436   .     S
C183   H87     1.154   .     S
C184   H96     1.156   .     S
C184   C223    1.495   .     S
C184   C192    1.466   .     S
C185   H89     1.137   .     S
C185   C243    1.486   .     S
C185   C186    1.521   .     S
C186   H91     1.076   .     S
C186   C229    1.416   .     S
C187   C229    1.406   .     S
C187   C188    1.421   .     S
C187   H92     1.100   .     S
C188   H94     1.124   .     S
C188   C243    1.415   .     S
C189   C191    1.427   .     S
C189   H95     1.099   .     S
C189   C239    1.427   .     S
C190   C236    1.439   .     S
C190   C193    1.431   .     S
C190   H98     1.062   .     S
C191   H99     1.111   .     S
C191   C240    1.453   .     S
C192   H103    1.149   .     S
C192   C228    1.453   .     S
C193   C232    1.429   .     S
C193   H106    1.129   .     S
C194   H119    1.118   .     S
C194   C228    1.424   .     S
C200   H116    1.090   .     S
C200   C238    1.500   .     S
C200   C201    1.439   .     S
C201   C202    1.418   .     S
C201   H118    1.104   .     S
C202   H120    1.067   .     S
C202   C203    1.429   .     S
C203   C204    1.405   .     S
C203   H122    1.099   .     S
C204   C238    1.481   .     S
C204   H123    1.049   .     S
C205   H125    1.136   .     S
C205   C206    1.461   .     S
C205   C209    1.389   .     S
C206   H127    1.058   .     S
C206   C242    1.439   .     S
C207   C242    1.464   .     S
C207   C208    1.478   .     S
C207   H129    1.099   1_545 S
C208   C209    1.399   .     S
C208   H131    1.147   1_545 S
C209   H124    1.079   .     S
C210   C230    1.416   .     S
C210   C211    1.397   .     S
C210   H132    1.076   .     S
C211   H133    1.103   .     S
C211   C227    1.436   .     S
C212   C213    1.425   .     S
C212   C227    1.432   .     S
C212   H135    1.134   .     S
C213   H137    1.094   .     S
C213   C230    1.431   .     S
C214   H141    1.104   .     S
C214   C225    1.462   1_455 S
H84    C245    1.095   .     S
H86    C251    1.089   .     S
H101   C248    1.089   .     S
H102   C247    1.042   .     S
H105   C252    1.067   .     S
H138   C249    1.110   .     S
C250   H139    1.097   1_545 S
N79    C275    1.318   .     S
N79    C253    1.363   .     S
N80    C275    1.342   .     S
N80    C277    1.329   .     S
N81    C277    1.367   .     S
N81    C253    1.335   .     S
N88    C271    1.360   .     S
N88    C259    1.326   .     S
N89    C271    1.333   .     S
N89    C258    1.348   .     S
N90    C259    1.396   .     S
N90    C258    1.373   .     S
C253   H165    1.085   .     S
C258   H187    1.100   .     S
C259   H185    1.064   1_455 S
H158   C288    1.125   .     S
H159   C310    1.064   .     S
H162   C292    1.096   .     S
H163   C295    1.090   .     S
H174   C304    1.061   .     S
H175   C309    1.096   .     S
H176   C316    1.081   .     S
H177   C281    1.080   .     S
C269   C328    1.457   .     S
C269   N85     1.409   .     S
C269   N87     1.348   .     S
C271   C335    1.468   .     S
C275   C323    1.421   .     S
C277   C333    1.441   .     S
C281   C316    1.418   .     S
C281   C333    1.458   .     S
C288   C335    1.426   .     S
C288   C299    1.434   1_556 S
C292   C323    1.419   .     S
C292   C286    1.444   1_556 S
C295   C323    1.442   .     S
C295   C297    1.433   1_556 S
C304   C333    1.411   .     S
C304   C309    1.437   .     S
C309   C328    1.428   .     S
C310   C335    1.434   .     S
C310   C282    1.447   1_556 S
C316   C328    1.419   .     S
H259   C370    1.151   1_565 S
N127   C479    1.373   .     S
N127   C481    1.341   .     S
N128   C475    1.358   .     S
N128   C479    1.310   .     S
N129   C475    1.356   .     S
N129   C481    1.383   .     S
N133   C463    1.341   .     S
N133   C465    1.360   .     S
N134   C464    1.336   .     S
N134   C463    1.325   .     S
N135   C464    1.356   .     S
N135   C465    1.335   .     S
N139   C556    1.332   .     S
N139   C468    1.350   .     S
N140   C468    1.358   .     S
N140   C551    1.326   .     S
N141   C556    1.328   .     S
N141   C551    1.355   .     S
N142   C469    1.332   .     S
N142   C470    1.378   .     S
N143   C469    1.369   .     S
N143   C559    1.362   .     S
N144   C470    1.334   .     S
N144   C559    1.320   .     S
N154   C478    1.347   .     S
N154   C561    1.420   .     S
N155   C560    1.327   .     S
N155   C478    1.357   .     S
N156   C560    1.361   .     S
N156   C561    1.372   .     S
C463   C548    1.418   .     S
C464   C536    1.482   .     S
C465   C542    1.433   .     S
C468   C541    1.447   .     S
C469   C547    1.425   1_556 S
C470   C529    1.421   .     S
C475   C538    1.504   .     S
C478   C546    1.406   .     S
C479   C540    1.405   .     S
C481   C539    1.473   .     S
C485   H325    1.095   .     S
C485   C522    1.460   .     S
C485   C529    1.453   .     S
C487   H287    1.127   .     S
C487   C492    1.452   .     S
C487   C529    1.422   .     S
C488   H319    1.113   .     S
C488   C489    1.414   .     S
C488   C541    1.458   .     S
C489   C548    1.396   .     S
C489   H329    1.049   .     S
C490   H277    1.086   .     S
C490   C491    1.493   .     S
C490   C548    1.462   .     S
C491   H280    1.085   .     S
C491   C541    1.428   .     S
C492   C540    1.424   .     S
C492   H294    1.130   .     S
C500   H284    1.088   .     S
C500   C507    1.454   .     S
C500   C538    1.465   .     S
C507   C536    1.454   .     S
C507   H299    1.142   .     S
C512   C546    1.469   .     S
C512   C513    1.418   .     S
C512   H300    1.164   .     S
C513   C542    1.428   .     S
C513   H301    1.095   .     S
C514   H303    1.142   .     S
C514   C515    1.376   .     S
C514   C542    1.441   .     S
C515   H304    1.123   .     S
C515   C546    1.414   .     S
C516   C517    1.375   .     S
C516   H306    1.064   .     S
C516   C536    1.428   .     S
C517   H309    1.105   .     S
C517   C538    1.438   .     S
C522   H289    1.076   .     S
C522   C540    1.494   .     S
H285   C505    1.080   1_565 S
H292   C551    1.110   .     S
H305   C561    1.073   .     S
H307   C559    1.139   .     S
H308   C560    1.097   .     S
C539   C505    1.477   1_565 S
C539   C499    1.397   1_565 S
C556   H283    1.089   1_565 S
N181   C581    1.358   .     S
N181   C580    1.398   .     S
N182   C580    1.350   .     S
N182   C681    1.328   .     S
N183   C581    1.350   .     S
N183   C681    1.344   .     S
N190   C682    1.365   .     S
N190   C586    1.373   .     S
N191   C682    1.380   .     S
N191   C679    1.368   .     S
N192   C586    1.366   .     S
N192   C679    1.323   .     S
C580   C654    1.437   .     S
C581   C656    1.395   .     S
C586   C658    1.461   .     S
C619   H343    1.128   .     S
C619   C656    1.452   .     S
C619   C620    1.411   1_565 S
C622   C656    1.475   .     S
C622   H348    1.121   .     S
C622   C621    1.376   1_565 S
C640   C641    1.460   .     S
C640   H382    1.087   .     S
C640   C658    1.421   .     S
C641   C654    1.477   .     S
C641   H384    1.093   .     S
C642   C643    1.423   .     S
C642   C654    1.422   .     S
C642   H385    1.080   .     S
C643   H387    1.111   .     S
C643   C658    1.440   .     S
H356   C681    1.054   .     S
H388   C682    1.127   .     S
H389   C679    1.093   .     S
N196   C699    1.402   .     S
N196   C701    1.363   .     S
N197   C699    1.334   .     S
N197   C696    1.363   .     S
N198   C701    1.362   .     S
N198   C696    1.327   .     S
N199   C698    1.309   .     S
N199   C702    1.375   .     S
N200   C698    1.389   .     S
N200   C769    1.366   .     S
N201   C702    1.323   .     S
N201   C769    1.303   .     S
N202   C690    1.326   .     S
N202   C688    1.365   .     S
N203   C689    1.380   .     S
N203   C688    1.375   .     S
N204   C689    1.384   .     S
N204   C690    1.317   .     S
N208   C695    1.338   .     S
N208   C761    1.330   .     S
N209   C694    1.331   .     S
N209   C761    1.314   .     S
N210   C695    1.337   .     S
N210   C694    1.320   .     S
N211   C770    1.340   .     S
N211   C768    1.307   .     S
N212   C697    1.325   .     S
N212   C768    1.337   .     S
N213   C770    1.317   .     S
N213   C697    1.312   .     S
N220   C704    1.362   .     S
N220   C763    1.315   .     S
N223   C766    1.358   .     S
N223   C771    1.371   .     S
N224   C766    1.358   .     S
N224   C705    1.369   .     S
N225   C771    1.328   .     S
N225   C705    1.361   .     S
C688   C755    1.380   .     S
C689   C742    1.457   .     S
C690   C743    1.413   .     S
C694   C746    1.418   .     S
C695   C756    1.499   .     S
C696   C759    1.428   .     S
C697   C758    1.424   .     S
C698   C744    1.449   .     S
C699   C750    1.445   .     S
C701   C753    1.403   .     S
C702   C751    1.453   .     S
C704   C754    1.461   .     S
C704   N221    1.313   1_565 S
C705   C745    1.442   .     S
C707   C751    1.440   .     S
C707   C717    1.409   .     S
C707   H434    1.090   .     S
C713   H413    1.124   .     S
C713   C714    1.418   .     S
C713   C756    1.452   .     S
C714   C744    1.461   .     S
C714   H417    1.098   .     S
C715   C716    1.433   .     S
C715   H422    1.078   .     S
C715   C744    1.388   .     S
C716   H428    1.096   .     S
C716   C756    1.462   .     S
C717   C759    1.476   .     S
C717   H443    1.107   .     S
C718   H452    1.136   .     S
C718   C746    1.438   .     S
C718   C719    1.391   .     S
C719   C758    1.413   .     S
C719   H407    1.123   .     S
C720   H408    1.141   .     S
C720   C721    1.407   .     S
C720   C758    1.447   .     S
C721   H410    1.125   .     S
C721   C746    1.419   .     S
C722   C754    1.387   .     S
C722   H411    1.112   .     S
C722   C723    1.417   .     S
C723   C743    1.374   .     S
C723   H412    1.110   .     S
C724   H414    1.078   .     S
C724   C725    1.395   .     S
C724   C743    1.438   .     S
C725   C754    1.407   .     S
C725   H416    1.118   .     S
C732   C745    1.459   .     S
C732   H433    1.134   .     S
C732   C733    1.380   .     S
C733   H435    1.084   .     S
C733   C742    1.370   .     S
C734   H436    1.068   .     S
C734   C735    1.389   .     S
C734   C742    1.436   .     S
C735   C745    1.422   .     S
C735   H438    1.154   .     S
C736   H442    1.093   .     S
C736   C741    1.421   .     S
C736   C759    1.410   .     S
C737   C740    1.393   .     S
C737   C750    1.417   .     S
C737   H446    1.127   .     S
C738   H445    1.105   .     S
C738   C750    1.500   .     S
C738   C739    1.412   .     S
C739   C755    1.440   .     S
C739   H448    1.086   .     S
C740   C755    1.415   .     S
C740   H453    1.140   .     S
C741   H451    1.146   .     S
C741   C751    1.408   .     S
H424   C770    1.083   .     S
H432   C769    1.087   .     S
H437   C761    1.093   .     S
H444   C763    1.150   .     S
H449   C771    1.098   .     S
H450   C766    1.111   .     S
C753   C731    1.427   1_556 S
C753   C706    1.408   1_556 S
C763   N222    1.320   1_565 S
C768   H425    1.088   1_556 S
N226   C781    1.305   .     S
N226   C785    1.367   .     S
N227   C778    1.315   .     S
N227   C781    1.371   .     S
N228   C785    1.299   .     S
N228   C778    1.390   .     S
N238   C775    1.368   .     S
N238   C908    1.371   .     S
N239   C776    1.371   .     S
N239   C775    1.357   .     S
N240   C908    1.385   .     S
N240   C776    1.369   .     S
N248   C907    1.360   .     S
N248   C788    1.342   1_556 S
N253   C791    1.325   .     S
N253   C906    1.349   .     S
N254   C899    1.337   .     S
N254   C791    1.373   .     S
N255   C899    1.338   .     S
N255   C906    1.384   .     S
N262   C798    1.320   .     S
N262   C904    1.343   .     S
N263   C904    1.342   .     S
N263   C797    1.357   .     S
N264   C798    1.345   .     S
N264   C797    1.360   .     S
N265   C799    1.347   .     S
N265   C897    1.345   .     S
N266   C800    1.324   .     S
N266   C799    1.359   .     S
N267   C897    1.400   .     S
N267   C800    1.316   .     S
C775   C886    1.418   .     S
C776   C873    1.461   .     S
C778   C894    1.439   .     S
C781   C874    1.399   .     S
C785   C878    1.439   1_556 S
C791   C880    1.402   .     S
C797   C883    1.434   .     S
C798   C890    1.437   .     S
C799   C895    1.414   .     S
C800   C877    1.400   .     S
C804   H506    1.056   .     S
C804   C874    1.459   .     S
C804   C805    1.439   1_556 S
C806   C807    1.462   .     S
C806   H531    1.100   .     S
C806   C881    1.434   1_556 S
C807   H456    1.051   .     S
C807   C874    1.373   .     S
C829   H462    1.088   .     S
C829   C828    1.434   1_556 S
C829   C882    1.467   1_556 S
C831   C832    1.390   .     S
C831   C894    1.413   .     S
C831   H468    1.119   .     S
C832   C880    1.424   .     S
C832   H470    1.132   .     S
C833   C834    1.399   .     S
C833   C880    1.423   .     S
C833   H472    1.128   .     S
C834   C894    1.453   .     S
C834   H473    1.173   .     S
C838   H479    1.117   .     S
C838   C895    1.403   .     S
C838   C839    1.442   .     S
C839   C886    1.402   .     S
C839   H481    1.073   .     S
C840   H483    1.111   .     S
C840   C841    1.439   .     S
C840   C886    1.427   .     S
C841   H484    1.103   .     S
C841   C895    1.440   .     S
C844   C890    1.436   .     S
C844   H494    1.060   .     S
C844   C845    1.397   1_556 S
C847   H499    1.113   .     S
C847   C890    1.418   .     S
C847   C846    1.433   1_556 S
C853   H510    1.164   .     S
C853   C877    1.430   .     S
C853   C854    1.413   .     S
C854   H512    1.083   .     S
C856   H516    1.057   .     S
C856   C855    1.500   1_565 S
C856   C857    1.421   1_565 S
C857   C877    1.473   .     S
C857   H518    1.069   .     S
C857   C856    1.421   1_545 S
C858   H520    1.075   .     S
C858   C859    1.419   .     S
C858   C862    1.443   .     S
C859   C883    1.419   .     S
C859   H521    1.140   .     S
C860   C883    1.489   .     S
C860   C861    1.384   .     S
C860   H523    1.079   .     S
C861   H525    1.138   .     S
C861   C862    1.462   .     S
C862   H519    1.135   .     S
H454   C907    1.092   .     S
H474   C906    1.096   .     S
H477   C899    1.124   .     S
H500   C904    1.126   .     S
H501   C908    1.120   .     S
H504   C897    1.085   .     S
H514   C855    1.058   1_565 S
C873   C810    1.418   1_556 S
C873   C836    1.436   1_556 S
C907   N249    1.336   1_556 S
N355   C1172   1.347   .     S
N355   C1174   1.326   .     S
N356   C1172   1.345   .     S
N356   C1171   1.386   .     S
N357   C1171   1.322   .     S
N357   C1174   1.385   .     S
N358   C1175   1.366   .     S
N358   C1264   1.323   .     S
N359   C1173   1.358   .     S
N359   C1264   1.304   .     S
N360   C1173   1.414   .     S
N360   C1175   1.322   .     S
N361   C1176   1.335   .     S
N361   C1178   1.353   .     S
N362   C1177   1.330   .     S
N362   C1176   1.385   .     S
N364   C1181   1.355   .     S
N364   C1179   1.329   .     S
N365   C1180   1.294   .     S
N365   C1179   1.323   .     S
N366   C1181   1.348   .     S
N366   C1180   1.316   .     S
N367   C1183   1.346   .     S
N367   C1270   1.375   .     S
N368   C1270   1.380   .     S
N368   C1182   1.308   .     S
N369   C1182   1.379   .     S
N369   C1183   1.375   .     S
N370   C1185   1.354   .     S
N370   C1184   1.317   1_455 S
N375   C1186   1.329   .     S
N375   C1268   1.359   .     S
N376   C1189   1.367   .     S
N376   C1187   1.374   .     S
N377   C1187   1.391   .     S
N377   C1188   1.349   .     S
N378   C1188   1.304   .     S
N378   C1189   1.332   .     S
N382   C1269   1.360   .     S
N382   C1272   1.356   .     S
N383   C1272   1.355   .     S
N383   C1191   1.389   .     S
N384   C1269   1.346   .     S
N384   C1191   1.375   .     S
C1171  C1261   1.466   .     S
C1172  C1260   1.424   .     S
C1173  C1256   1.431   .     S
C1174  C1245   1.385   .     S
C1175  C1250   1.437   .     S
C1176  C1249   1.397   .     S
C1177  N363    1.309   1_455 S
C1177  C1253   1.446   1_455 S
C1178  C1262   1.413   .     S
C1178  N363    1.363   1_455 S
C1179  C1255   1.446   .     S
C1180  C1258   1.462   .     S
C1181  C1257   1.481   .     S
C1182  C1247   1.395   .     S
C1183  C1243   1.424   .     S
C1185  C1251   1.422   .     S
C1185  N372    1.398   1_455 S
C1186  C1252   1.447   .     S
C1186  N373    1.348   1_556 S
C1187  C1248   1.488   .     S
C1188  C1244   1.432   .     S
C1189  C1263   1.439   .     S
C1191  C1246   1.390   .     S
C1192  C1245   1.436   .     S
C1192  H720    1.137   .     S
C1192  C1193   1.409   .     S
C1193  H684    1.084   .     S
C1193  C1256   1.398   .     S
C1196  C1259   1.485   .     S
C1196  C1197   1.464   .     S
C1196  H726    1.131   .     S
C1197  H738    1.110   .     S
C1197  C1262   1.474   .     S
C1198  C1205   1.432   .     S
C1198  C1249   1.448   .     S
C1198  H692    1.129   .     S
C1199  C1204   1.393   .     S
C1199  C1256   1.471   .     S
C1199  H714    1.070   .     S
C1204  H722    1.100   .     S
C1204  C1245   1.444   .     S
C1205  C1261   1.410   .     S
C1205  H723    1.065   .     S
C1206  C1243   1.459   .     S
C1206  H736    1.089   .     S
C1206  C1213   1.406   .     S
C1207  C1212   1.416   .     S
C1207  H734    1.108   .     S
C1207  C1257   1.391   .     S
C1208  C1209   1.430   .     S
C1208  C1252   1.468   .     S
C1208  H740    1.100   1_556 S
C1209  C1247   1.481   .     S
C1209  H683    1.066   .     S
C1210  C1211   1.419   .     S
C1210  H685    1.094   .     S
C1210  C1247   1.418   .     S
C1211  C1252   1.422   .     S
C1211  H687    1.056   .     S
C1212  H689    1.100   .     S
C1212  C1260   1.427   .     S
C1213  C1250   1.422   .     S
C1213  H699    1.110   .     S
C1214  C1215   1.423   .     S
C1214  H691    1.116   .     S
C1214  C1244   1.443   .     S
C1215  H693    1.117   .     S
C1215  C1255   1.424   .     S
C1216  H695    1.123   .     S
C1216  C1217   1.387   .     S
C1216  C1255   1.419   .     S
C1217  C1244   1.468   .     S
C1217  H697    1.090   .     S
C1218  C1260   1.415   .     S
C1218  H700    1.100   .     S
C1218  C1219   1.424   .     S
C1219  H703    1.119   .     S
C1219  C1257   1.413   .     S
C1220  C1250   1.450   .     S
C1220  H704    1.095   .     S
C1220  C1237   1.429   .     S
C1221  H730    1.094   .     S
C1221  C1261   1.442   .     S
C1221  C1236   1.453   .     S
C1222  C1226   1.441   .     S
C1222  C1223   1.440   .     S
C1222  H708    1.078   .     S
C1223  H710    1.114   .     S
C1223  C1248   1.468   .     S
C1224  C1248   1.457   .     S
C1224  C1225   1.416   .     S
C1224  H712    1.074   .     S
C1225  C1226   1.436   .     S
C1225  H713    1.093   .     S
C1226  H706    1.144   .     S
C1227  H716    1.100   .     S
C1227  C1228   1.411   .     S
C1227  C1231   1.384   .     S
C1228  H718    1.134   .     S
C1228  C1258   1.457   .     S
C1229  C1258   1.431   .     S
C1229  C1230   1.447   .     S
C1229  H719    1.089   .     S
C1230  C1231   1.489   .     S
C1230  H721    1.100   .     S
C1231  H715    1.097   .     S
C1232  C1251   1.402   .     S
C1232  C1233   1.420   .     S
C1232  H724    1.091   1_455 S
C1233  H725    1.097   .     S
C1233  C1246   1.470   .     S
C1234  H727    1.057   .     S
C1234  C1235   1.430   .     S
C1234  C1246   1.417   .     S
C1235  H728    1.069   .     S
C1235  C1251   1.441   .     S
C1236  C1249   1.478   .     S
C1236  H733    1.082   .     S
C1237  C1243   1.449   .     S
C1237  H694    1.138   .     S
C1238  C1263   1.413   .     S
C1238  H735    1.101   .     S
C1238  C1239   1.461   .     S
C1239  H737    1.055   .     S
C1239  C1240   1.436   .     S
C1240  H739    1.078   .     S
C1240  C1241   1.456   .     S
C1241  C1242   1.432   .     S
C1241  H741    1.162   .     S
C1242  H742    1.132   .     S
C1242  C1263   1.412   .     S
H686   C1264   1.110   .     S
H690   C1268   1.131   .     S
H696   C1200   1.122   1_455 S
H717   C1270   1.091   .     S
H729   C1269   1.114   .     S
H731   C1272   1.052   .     S
C1259  C1184   1.435   1_455 S
C1259  C1195   1.417   1_455 S
C1262  C1194   1.459   1_455 S
C1268  N374    1.299   1_556 S
H832   C1399   1.143   1_556 S
N439   C1437   1.359   .     S
N439   C1439   1.343   .     S
N440   C1435   1.328   .     S
N440   C1437   1.373   .     S
N441   C1439   1.334   .     S
N441   C1435   1.358   .     S
N442   C1436   1.359   .     S
N442   C1440   1.339   .     S
N443   C1436   1.332   .     S
N443   C1438   1.324   .     S
N444   C1438   1.325   .     S
N444   C1440   1.329   .     S
N445   C1441   1.387   .     S
N445   C1539   1.338   .     S
N446   C1441   1.365   .     S
N446   C1442   1.392   .     S
N447   C1442   1.353   .     S
N447   C1539   1.338   .     S
N448   C1443   1.377   .     S
N448   C1544   1.346   .     S
N449   C1443   1.374   .     S
N449   C1444   1.373   .     S
N450   C1544   1.330   .     S
N450   C1444   1.350   .     S
N451   C1542   1.389   .     S
N451   C1446   1.327   .     S
N452   C1445   1.318   .     S
N452   C1542   1.336   .     S
N453   C1445   1.359   .     S
N453   C1446   1.384   .     S
N454   C1449   1.321   .     S
N454   C1447   1.323   .     S
N455   C1448   1.349   .     S
N455   C1447   1.383   .     S
N456   C1449   1.324   .     S
N456   C1448   1.372   .     S
N457   C1537   1.322   .     S
N457   C1451   1.357   .     S
N458   C1450   1.334   .     S
N458   C1537   1.331   .     S
N459   C1451   1.364   .     S
N459   C1450   1.350   .     S
N460   C1452   1.329   .     S
N460   C1541   1.348   .     S
N461   C1547   1.346   .     S
N461   C1541   1.300   .     S
N462   C1452   1.325   .     S
N462   C1547   1.369   .     S
N463   C1455   1.343   .     S
N463   C1453   1.356   .     S
N464   C1453   1.350   .     S
N464   C1454   1.350   .     S
N465   C1454   1.352   .     S
N465   C1455   1.368   .     S
N466   C1456   1.370   .     S
N466   C1538   1.414   .     S
N467   C1545   1.336   .     S
N467   C1538   1.342   .     S
N468   C1456   1.397   .     S
N468   C1545   1.342   .     S
N469   C1546   1.360   .     S
N469   C1540   1.339   .     S
N470   C1457   1.347   .     S
N470   C1546   1.327   .     S
N471   C1457   1.322   .     S
N471   C1540   1.385   .     S
N472   C1548   1.384   .     S
N472   C1543   1.371   .     S
N473   C1543   1.336   .     S
N473   C1458   1.334   .     S
N474   C1458   1.326   .     S
N474   C1548   1.362   .     S
C1435  C1533   1.427   .     S
C1436  C1528   1.405   .     S
C1437  C1535   1.410   .     S
C1438  C1517   1.437   .     S
C1439  C1529   1.460   .     S
C1440  C1523   1.391   .     S
C1441  C1536   1.490   .     S
C1442  C1516   1.453   .     S
C1443  C1521   1.459   .     S
C1444  C1534   1.437   .     S
C1445  C1513   1.433   .     S
C1446  C1515   1.459   1_556 S
C1447  C1526   1.407   .     S
C1448  C1530   1.467   .     S
C1449  C1520   1.386   .     S
C1450  C1525   1.400   .     S
C1451  C1524   1.422   .     S
C1452  C1518   1.401   .     S
C1453  C1527   1.434   .     S
C1454  C1522   1.427   .     S
C1455  C1514   1.421   .     S
C1456  C1531   1.452   .     S
C1457  C1532   1.451   .     S
C1458  C1519   1.424   .     S
C1459  H847    1.096   .     S
C1459  C1534   1.405   .     S
C1459  C1460   1.424   .     S
C1460  H863    1.119   .     S
C1460  C1513   1.470   .     S
C1461  C1489   1.465   .     S
C1461  H860    1.122   .     S
C1461  C1528   1.433   .     S
C1462  H857    1.062   .     S
C1462  C1528   1.453   .     S
C1462  C1463   1.400   .     S
C1463  H853    1.080   .     S
C1463  C1535   1.434   .     S
C1464  H871    1.106   .     S
C1464  C1465   1.443   .     S
C1464  C1517   1.485   .     S
C1465  C1530   1.458   .     S
C1465  H886    1.068   .     S
C1466  C1467   1.488   .     S
C1466  H839    1.084   .     S
C1466  C1530   1.392   .     S
C1467  C1517   1.398   .     S
C1467  H843    1.142   .     S
C1468  H851    1.122   .     S
C1468  C1473   1.390   .     S
C1468  C1521   1.452   .     S
C1469  C1520   1.438   .     S
C1469  C1470   1.427   .     S
C1469  H859    1.056   .     S
C1470  H861    1.093   .     S
C1470  C1525   1.421   .     S
C1471  C1472   1.448   .     S
C1471  C1525   1.414   .     S
C1471  H865    1.096   .     S
C1472  C1520   1.406   .     S
C1472  H868    1.038   .     S
C1473  H876    1.135   .     S
C1473  C1533   1.449   .     S
C1474  H884    1.121   .     S
C1474  C1522   1.426   .     S
C1474  C1475   1.412   .     S
C1475  C1524   1.400   .     S
C1475  H888    1.127   .     S
C1476  H897    1.081   .     S
C1476  C1524   1.423   .     S
C1476  C1477   1.455   .     S
C1477  H837    1.114   .     S
C1477  C1522   1.430   .     S
C1483  H846    1.101   .     S
C1483  C1518   1.416   .     S
C1483  C1484   1.429   .     S
C1484  C1526   1.441   .     S
C1484  H848    1.126   .     S
C1485  C1526   1.432   .     S
C1485  C1486   1.448   .     S
C1485  H850    1.114   .     S
C1486  H852    1.096   .     S
C1486  C1518   1.468   .     S
C1487  H855    1.067   .     S
C1487  C1488   1.457   .     S
C1487  C1533   1.434   .     S
C1488  C1521   1.433   .     S
C1488  H858    1.091   .     S
C1489  C1535   1.445   .     S
C1489  H882    1.139   .     S
C1490  C1509   1.433   .     S
C1490  H890    1.101   .     S
C1490  C1536   1.429   .     S
C1491  H894    1.109   .     S
C1491  C1513   1.372   .     S
C1491  C1511   1.410   .     S
C1492  H862    1.084   .     S
C1492  C1493   1.423   .     S
C1492  C1516   1.428   .     S
C1493  C1531   1.471   .     S
C1493  H864    1.125   .     S
C1494  C1531   1.357   .     S
C1494  H866    1.077   .     S
C1494  C1495   1.414   .     S
C1495  H867    1.090   .     S
C1495  C1516   1.448   .     S
C1496  C1527   1.392   .     S
C1496  C1497   1.394   .     S
C1496  H869    1.079   .     S
C1497  H870    1.126   .     S
C1497  C1498   1.406   .     S
C1498  C1499   1.387   .     S
C1498  H872    1.080   .     S
C1499  C1500   1.444   .     S
C1499  H873    1.049   .     S
C1500  H875    1.154   .     S
C1500  C1527   1.419   .     S
C1501  H877    1.094   .     S
C1501  C1502   1.406   .     S
C1501  C1514   1.460   .     S
C1502  C1532   1.424   .     S
C1502  H879    1.168   .     S
C1503  C1532   1.433   .     S
C1503  C1504   1.398   .     S
C1503  H880    1.146   .     S
C1504  C1514   1.432   .     S
C1504  H881    1.099   .     S
C1505  C1523   1.398   .     S
C1505  C1506   1.406   .     S
C1505  H883    1.172   .     S
C1506  C1519   1.457   .     S
C1506  H885    1.175   .     S
C1507  C1508   1.434   .     S
C1507  C1519   1.425   .     S
C1507  H887    1.097   .     S
C1508  H889    1.166   .     S
C1508  C1523   1.435   .     S
C1509  C1529   1.431   .     S
C1509  H893    1.087   .     S
C1510  H898    1.087   .     S
C1510  C1529   1.440   .     S
C1510  C1512   1.464   .     S
C1511  H902    1.130   .     S
C1511  C1534   1.469   .     S
C1512  C1536   1.387   .     S
C1512  H901    1.106   .     S
H841   C1542   1.092   .     S
H844   C1480   1.100   1_556 S
H849   C1544   1.092   .     S
H854   C1541   1.054   .     S
H856   C1547   1.099   .     S
H874   C1537   1.120   .     S
H878   C1539   1.079   .     S
H891   C1538   1.154   .     S
H892   C1545   1.137   .     S
H895   C1540   1.092   .     S
H896   C1546   1.158   .     S
H899   C1548   1.046   .     S
H900   C1543   1.068   .     S
N4     C12     1.351   .     S
N4     C19     1.330   .     S
N7     C3      1.329   .     S
N7     C1      1.322   .     S
N8     C2      1.330   .     S
N8     C1      1.316   .     S
N9     C3      1.330   .     S
N9     C2      1.348   .     S
N13    C7      1.317   .     S
N13    C8      1.305   .     S
N14    C124    1.329   .     S
N14    C7      1.348   .     S
N15    C124    1.328   .     S
N15    C8      1.310   .     S
N28    C127    1.359   .     S
N28    C25     1.335   .     S
N29    C25     1.323   .     S
N29    C129    1.369   1_655 S
N30    C127    1.315   .     S
N30    C129    1.328   1_655 S
C1     C100    1.449   .     S
C2     C118    1.410   .     S
C3     C122    1.485   .     S
C7     C108    1.446   .     S
C8     C119    1.432   .     S
C12    C109    1.429   .     S
C12    N5      1.347   1_556 S
C19    C110    1.406   .     S
C19    N6      1.328   1_556 S
C25    C120    1.428   .     S
C27    C96     1.368   .     S
C27    C120    1.445   .     S
C27    H22     1.100   .     S
C28    C120    1.406   .     S
C28    C29     1.456   .     S
C28    H13     1.143   .     S
C29    C100    1.440   .     S
C29    H31     1.052   .     S
C30    C118    1.362   .     S
C30    H76     1.104   .     S
C30    C31     1.445   .     S
C31    H11     1.095   .     S
C31    C32     1.426   1_556 S
C39    C49     1.428   .     S
C39    C122    1.465   .     S
C39    H15     1.079   1_556 S
C49    C109    1.436   .     S
C49    H65     1.118   1_556 S
C52    C95     1.430   .     S
C52    H19     1.079   .     S
C52    C122    1.466   .     S
C66    C72     1.456   .     S
C66    C119    1.374   .     S
C66    H25     1.081   .     S
C72    H36     1.133   .     S
C72    C110    1.439   .     S
C81    C108    1.413   .     S
C81    H51     1.135   .     S
C81    C82     1.441   1_565 S
C95    H70     1.149   .     S
C95    C109    1.422   .     S
C96    H3      1.087   .     S
C96    C100    1.366   .     S
H52    C82     1.089   1_565 S
H59    C124    1.116   .     S
H61    C127    1.142   .     S
C108   C80     1.414   1_565 S
C110   C88     1.433   1_556 S
C118   C34     1.394   1_556 S
C119   C89     1.437   1_556 S
N46    C136    1.354   .     S
N46    C246    1.362   .     S
N47    C135    1.346   .     S
N47    C246    1.354   .     S
N48    C135    1.347   .     S
N48    C136    1.369   .     S
N55    C142    1.349   .     S
N55    C144    1.304   .     S
N56    C142    1.369   .     S
N56    C143    1.358   .     S
N57    C143    1.351   .     S
N57    C144    1.334   .     S
C135   C237    1.426   .     S
C136   C225    1.428   .     S
C142   C244    1.391   .     S
C143   C220    1.451   .     S
C144   C241    1.453   .     S
C157   H108    1.133   .     S
C157   C225    1.395   .     S
C157   C156    1.420   1_655 S
C164   H81     1.094   .     S
C164   C220    1.431   .     S
C164   C165    1.395   .     S
C165   C237    1.405   .     S
C165   H85     1.105   .     S
C166   C237    1.420   .     S
C166   C167    1.431   .     S
C166   H90     1.104   .     S
C167   H93     1.130   .     S
C167   C220    1.462   .     S
C196   H111    1.052   .     S
C196   C241    1.452   .     S
C196   C195    1.433   1_556 S
C215   C244    1.437   .     S
C215   C216    1.439   .     S
C215   H142    1.066   .     S
C216   H144    1.130   .     S
C216   C217    1.381   .     S
C217   H146    1.065   .     S
C217   C218    1.404   .     S
C218   C219    1.402   .     S
C218   H148    1.155   .     S
C219   H150    1.099   .     S
C219   C244    1.449   .     S
H128   C246    1.148   .     S
C225   C214    1.462   1_655 S
C241   C197    1.453   1_556 S
N85    C256    1.325   .     S
N86    C256    1.342   .     S
N86    C257    1.326   .     S
N87    C257    1.345   .     S
C256   H178    1.111   .     S
C257   H180    1.155   .     S
H185   C259    1.064   1_655 S
N363   C1178   1.363   1_655 S
N363   C1177   1.309   1_655 S
N371   C1184   1.331   .     S
N371   C1266   1.376   .     S
N372   C1266   1.334   .     S
N372   C1185   1.398   1_655 S
N379   C1271   1.360   .     S
N379   C1190   1.361   .     S
N380   C1190   1.342   .     S
N380   C1265   1.356   .     S
N381   C1271   1.385   .     S
N381   C1265   1.363   .     S
C1184  N370    1.317   1_655 S
C1184  C1259   1.435   1_655 S
C1190  C1254   1.398   .     S
C1194  C1195   1.410   .     S
C1194  H698    1.095   .     S
C1194  C1262   1.459   1_655 S
C1195  H709    1.082   .     S
C1195  C1259   1.417   1_655 S
C1200  C1201   1.402   .     S
C1200  C1253   1.421   .     S
C1200  H696    1.122   1_655 S
C1201  H701    1.167   .     S
C1201  C1254   1.409   .     S
C1202  C1203   1.437   .     S
C1202  H707    1.096   .     S
C1202  C1254   1.441   .     S
C1203  C1253   1.390   .     S
C1203  H711    1.053   .     S
H702   C1271   1.157   .     S
H705   C1265   1.068   .     S
H724   C1232   1.091   1_655 S
H732   C1266   1.079   .     S
C1253  C1177   1.446   1_655 S
N475   C1553   1.351   .     S
N475   C1551   1.346   .     S
N476   C1549   1.326   .     S
N476   C1551   1.380   .     S
N477   C1549   1.344   .     S
N477   C1553   1.366   .     S
N478   C1550   1.347   .     S
N478   C1554   1.308   .     S
N479   C1552   1.338   .     S
N479   C1550   1.395   .     S
N480   C1554   1.319   .     S
N480   C1552   1.362   .     S
N481   C1557   1.355   .     S
N481   C1555   1.342   .     S
N482   C1556   1.339   .     S
N482   C1555   1.265   .     S
N483   C1557   1.339   .     S
N483   C1556   1.337   .     S
N484   C1559   1.379   .     S
N484   C1633   1.366   .     S
N485   C1558   1.371   .     S
N485   C1633   1.320   .     S
N486   C1559   1.353   .     S
N486   C1558   1.373   .     S
N488   C1561   1.306   .     S
N488   C1560   1.350   1_556 S
N489   C1562   1.366   .     S
N489   C1561   1.339   .     S
N490   C1634   1.356   .     S
N490   C1636   1.321   .     S
N491   C1636   1.367   .     S
N491   C1563   1.372   .     S
N492   C1634   1.355   .     S
N492   C1563   1.392   .     S
N496   C1566   1.329   .     S
N496   C1638   1.331   .     S
N497   C1566   1.369   .     S
N497   C1635   1.289   .     S
N498   C1638   1.324   .     S
N498   C1635   1.362   .     S
C1549  C1627   1.432   .     S
C1550  C1617   1.412   .     S
C1551  C1625   1.414   .     S
C1552  C1616   1.393   .     S
C1553  C1630   1.414   .     S
C1554  C1631   1.436   .     S
C1555  C1623   1.417   .     S
C1556  C1620   1.466   .     S
C1557  C1618   1.404   .     S
C1558  C1615   1.399   .     S
C1559  C1626   1.426   .     S
C1561  C1628   1.452   .     S
C1562  C1621   1.401   .     S
C1562  N487    1.363   1_556 S
C1563  C1629   1.472   .     S
C1566  C1622   1.418   .     S
C1567  C1568   1.423   .     S
C1567  H930    1.120   .     S
C1567  C1626   1.372   .     S
C1568  C1631   1.458   .     S
C1568  H907    1.119   .     S
C1569  C1631   1.395   .     S
C1569  H937    1.064   .     S
C1569  C1570   1.422   .     S
C1570  H909    1.123   .     S
C1570  C1626   1.446   .     S
C1571  C1623   1.437   .     S
C1571  H922    1.137   .     S
C1571  C1572   1.409   .     S
C1572  H941    1.080   .     S
C1572  C1627   1.415   .     S
C1573  H905    1.079   .     S
C1573  C1575   1.425   .     S
C1573  C1630   1.463   .     S
C1574  C1584   1.438   .     S
C1574  H949    1.103   .     S
C1574  C1627   1.441   .     S
C1575  C1629   1.383   .     S
C1575  H951    1.139   .     S
C1576  H912    1.113   .     S
C1576  C1616   1.445   .     S
C1576  C1577   1.433   .     S
C1577  C1628   1.458   .     S
C1577  H915    1.119   .     S
C1578  C1579   1.450   .     S
C1578  H920    1.175   .     S
C1578  C1628   1.447   .     S
C1579  C1616   1.414   .     S
C1579  H924    1.109   .     S
C1580  H928    1.103   .     S
C1580  C1581   1.446   .     S
C1580  C1622   1.454   .     S
C1581  C1618   1.429   .     S
C1581  H932    1.139   .     S
C1582  H940    1.086   .     S
C1582  C1618   1.445   .     S
C1582  C1583   1.438   .     S
C1583  H946    1.111   .     S
C1583  C1622   1.450   .     S
C1584  C1623   1.436   .     S
C1584  H956    1.105   .     S
C1585  H938    1.095   .     S
C1585  C1607   1.400   .     S
C1585  C1629   1.440   .     S
C1586  H904    1.124   .     S
C1586  C1615   1.475   .     S
C1586  C1587   1.398   .     S
C1587  C1588   1.441   .     S
C1587  H906    1.123   .     S
C1588  H908    1.080   .     S
C1588  C1589   1.447   .     S
C1589  C1590   1.421   .     S
C1589  H910    1.076   .     S
C1590  C1615   1.481   .     S
C1590  H911    1.116   .     S
C1595  C1621   1.440   .     S
C1595  C1596   1.429   .     S
C1595  H919    1.072   .     S
C1596  C1597   1.430   .     S
C1596  H921    1.095   .     S
C1597  C1598   1.445   .     S
C1597  H923    1.127   .     S
C1598  C1599   1.405   .     S
C1598  H925    1.108   1_556 S
C1599  C1621   1.435   .     S
C1599  H926    1.122   1_556 S
C1600  H927    1.097   .     S
C1600  C1601   1.436   .     S
C1600  C1620   1.434   .     S
C1601  H929    1.135   .     S
C1601  C1602   1.408   .     S
C1602  H931    1.088   .     S
C1602  C1603   1.438   .     S
C1603  H933    1.118   .     S
C1603  C1604   1.408   .     S
C1604  H934    1.140   .     S
C1604  C1620   1.431   .     S
C1605  C1625   1.419   .     S
C1605  H939    1.091   .     S
C1605  C1606   1.453   .     S
C1606  H942    1.152   .     S
C1606  C1617   1.425   .     S
C1607  C1630   1.395   .     S
C1607  H944    1.077   .     S
C1613  H954    1.176   .     S
C1613  C1617   1.420   .     S
C1613  C1614   1.415   .     S
C1614  C1625   1.445   .     S
C1614  H918    1.112   .     S
H903   C1633   1.129   .     S
H935   C1634   1.073   .     S
H936   C1636   1.054   .     S
H953   C1638   1.086   .     S
H955   C1635   1.081   .     S
H129   C207    1.099   1_565 S
H131   C208    1.147   1_565 S
H139   C250    1.097   1_565 S
