data_Pyrogallol
_audit_creation_date              2016-03-09
_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                    39.9992
_cell_length_b                    39.9992
_cell_length_c                    39.9992
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 90.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
C1     C     0.62629   0.39909   0.45518   0.00000  Uiso   1.00
C2     C     0.64534   0.42110   0.43607   0.00000  Uiso   1.00
C3     C     0.64204   0.37330   0.47276   0.00000  Uiso   1.00
C4     C     0.67976   0.41758   0.43456   0.00000  Uiso   1.00
C5     C     0.67681   0.36897   0.47003   0.00000  Uiso   1.00
C6     C     0.69534   0.39150   0.45121   0.00000  Uiso   1.00
O7     O     0.69205   0.34274   0.48610   0.00000  Uiso   1.00
O8     O     0.62259   0.35227   0.49273   0.00000  Uiso   1.00
O9     O     0.59240   0.40399   0.45625   0.00000  Uiso   1.00
H10    H     0.63305   0.44161   0.42246   0.00000  Uiso   1.00
H11    H     0.69477   0.43544   0.42003   0.00000  Uiso   1.00
H12    H     0.72267   0.38896   0.44968   0.00000  Uiso   1.00
H13    H     0.71183   0.33731   0.47404   0.00000  Uiso   1.00
H14    H     0.62885   0.35771   0.51539   0.00000  Uiso   1.00
H15    H     0.58369   0.38753   0.47105   0.00000  Uiso   1.00
C16    C     0.65506   0.48780   0.84626   0.00000  Uiso   1.00
C17    C     0.63673   0.46999   0.86970   0.00000  Uiso   1.00
C18    C     0.64176   0.51731   0.83247   0.00000  Uiso   1.00
C19    C     0.60545   0.48118   0.87958   0.00000  Uiso   1.00
C20    C     0.60993   0.52831   0.84247   0.00000  Uiso   1.00
C21    C     0.59199   0.51006   0.86605   0.00000  Uiso   1.00
O22    O     0.59573   0.55681   0.82977   0.00000  Uiso   1.00
O23    O     0.65918   0.53616   0.80946   0.00000  Uiso   1.00
O24    O     0.68618   0.47738   0.83636   0.00000  Uiso   1.00
H25    H     0.64668   0.44675   0.88060   0.00000  Uiso   1.00
H26    H     0.59101   0.46707   0.89822   0.00000  Uiso   1.00
H27    H     0.56701   0.51838   0.87407   0.00000  Uiso   1.00
H28    H     0.60889   0.56263   0.81070   0.00000  Uiso   1.00
H29    H     0.68130   0.52728   0.80896   0.00000  Uiso   1.00
H30    H     0.69234   0.45897   0.85007   0.00000  Uiso   1.00
C31    C     0.08725   0.29036   0.09841   0.00000  Uiso   1.00
C32    C     0.11825   0.27446   0.09898   0.00000  Uiso   1.00
C33    C     0.08546   0.32531   0.09485   0.00000  Uiso   1.00
C34    C     0.14745   0.29289   0.09641   0.00000  Uiso   1.00
C35    C     0.11518   0.34359   0.09149   0.00000  Uiso   1.00
C36    C     0.14585   0.32730   0.09278   0.00000  Uiso   1.00
O37    O     0.11550   0.37786   0.08673   0.00000  Uiso   1.00
O38    O     0.05422   0.34004   0.09440   0.00000  Uiso   1.00
O39    O     0.05929   0.27072   0.10128   0.00000  Uiso   1.00
H40    H     0.11944   0.24708   0.10152   0.00000  Uiso   1.00
H41    H     0.17183   0.28019   0.09699   0.00000  Uiso   1.00
H42    H     0.16913   0.34180   0.09049   0.00000  Uiso   1.00
H43    H     0.10164   0.38238   0.06767   0.00000  Uiso   1.00
H44    H     0.05664   0.36282   0.10139   0.00000  Uiso   1.00
H45    H     0.04072   0.28560   0.10133   0.00000  Uiso   1.00
C46    C     0.78080   0.45071   0.71525   0.00000  Uiso   1.00
C47    C     0.78701   0.47779   0.73617   0.00000  Uiso   1.00
C48    C     0.79909   0.44718   0.68549   0.00000  Uiso   1.00
C49    C     0.81084   0.50141   0.72769   0.00000  Uiso   1.00
C50    C     0.82311   0.47138   0.67703   0.00000  Uiso   1.00
C51    C     0.82879   0.49830   0.69822   0.00000  Uiso   1.00
O52    O     0.84026   0.46790   0.64748   0.00000  Uiso   1.00
O53    O     0.79285   0.42004   0.66522   0.00000  Uiso   1.00
O54    O     0.75680   0.42813   0.72497   0.00000  Uiso   1.00
H55    H     0.77297   0.48061   0.75965   0.00000  Uiso   1.00
H56    H     0.81538   0.52270   0.74450   0.00000  Uiso   1.00
H57    H     0.84729   0.51761   0.69187   0.00000  Uiso   1.00
H58    H     0.84770   0.48943   0.64079   0.00000  Uiso   1.00
H59    H     0.80818   0.42187   0.64709   0.00000  Uiso   1.00
H60    H     0.74930   0.41746   0.70490   0.00000  Uiso   1.00
C61    C     0.37963   0.56701   0.20574   0.00000  Uiso   1.00
C62    C     0.37723   0.60030   0.19601   0.00000  Uiso   1.00
C63    C     0.41109   0.55350   0.21368   0.00000  Uiso   1.00
C64    C     0.40559   0.62003   0.19342   0.00000  Uiso   1.00
C65    C     0.43973   0.57382   0.21119   0.00000  Uiso   1.00
C66    C     0.43672   0.60681   0.20094   0.00000  Uiso   1.00
O67    O     0.47029   0.56025   0.21893   0.00000  Uiso   1.00
O68    O     0.41360   0.52059   0.22372   0.00000  Uiso   1.00
O69    O     0.35058   0.54858   0.20705   0.00000  Uiso   1.00
H70    H     0.35261   0.61095   0.18977   0.00000  Uiso   1.00
H71    H     0.40341   0.64614   0.18497   0.00000  Uiso   1.00
H72    H     0.45900   0.62276   0.19844   0.00000  Uiso   1.00
H73    H     0.48612   0.57800   0.22021   0.00000  Uiso   1.00
H74    H     0.43741   0.51688   0.22514   0.00000  Uiso   1.00
H75    H     0.35513   0.52701   0.19794   0.00000  Uiso   1.00
C76    C     0.44014   0.44726   0.18735   0.00000  Uiso   1.00
C77    C     0.44188   0.41820   0.16814   0.00000  Uiso   1.00
C78    C     0.46812   0.45699   0.20634   0.00000  Uiso   1.00
C79    C     0.47056   0.39884   0.16772   0.00000  Uiso   1.00
C80    C     0.49735   0.43769   0.20490   0.00000  Uiso   1.00
C81    C     0.49831   0.40862   0.18599   0.00000  Uiso   1.00
O82    O     0.52487   0.44758   0.22346   0.00000  Uiso   1.00
O83    O     0.46693   0.48513   0.22624   0.00000  Uiso   1.00
O84    O     0.41053   0.46434   0.18616   0.00000  Uiso   1.00
H85    H     0.42000   0.41061   0.15329   0.00000  Uiso   1.00
H86    H     0.47130   0.37576   0.15280   0.00000  Uiso   1.00
H87    H     0.52077   0.39276   0.18590   0.00000  Uiso   1.00
H88    H     0.54368   0.44940   0.20870   0.00000  Uiso   1.00
H89    H     0.48800   0.48512   0.23758   0.00000  Uiso   1.00
H90    H     0.41240   0.48411   0.19927   0.00000  Uiso   1.00
C91    C     0.80288   0.86621   0.72264   0.00000  Uiso   1.00
C92    C     0.82109   0.89380   0.73314   0.00000  Uiso   1.00
C93    C     0.81971   0.83656   0.71405   0.00000  Uiso   1.00
C94    C     0.85568   0.89239   0.73503   0.00000  Uiso   1.00
C95    C     0.85471   0.83516   0.71621   0.00000  Uiso   1.00
C96    C     0.87242   0.86321   0.72677   0.00000  Uiso   1.00
O97    O     0.87244   0.80706   0.70784   0.00000  Uiso   1.00
O98    O     0.80244   0.80859   0.70370   0.00000  Uiso   1.00
O99    O     0.76866   0.86668   0.72046   0.00000  Uiso   1.00
H100   H     0.80823   0.91715   0.73980   0.00000  Uiso   1.00
H101   H     0.86990   0.91456   0.74293   0.00000  Uiso   1.00
H102   H     0.89983   0.86207   0.72851   0.00000  Uiso   1.00
H103   H     0.85676   0.79258   0.69721   0.00000  Uiso   1.00
H104   H     0.77953   0.81545   0.70353   0.00000  Uiso   1.00
H105   H     0.76071   0.88738   0.72894   0.00000  Uiso   1.00
C106   C     0.67150   0.71284   0.78328   0.00000  Uiso   1.00
C107   C     0.68552   0.70538   0.81426   0.00000  Uiso   1.00
C108   C     0.68780   0.73516   0.76161   0.00000  Uiso   1.00
C109   C     0.71521   0.72026   0.82398   0.00000  Uiso   1.00
C110   C     0.71770   0.75043   0.77188   0.00000  Uiso   1.00
C111   C     0.73106   0.74282   0.80302   0.00000  Uiso   1.00
O112   O     0.73304   0.77290   0.75082   0.00000  Uiso   1.00
O113   O     0.67361   0.74160   0.73083   0.00000  Uiso   1.00
O114   O     0.64193   0.69769   0.77498   0.00000  Uiso   1.00
H115   H     0.67316   0.68721   0.83082   0.00000  Uiso   1.00
H116   H     0.72629   0.71416   0.84840   0.00000  Uiso   1.00
H117   H     0.75438   0.75453   0.81163   0.00000  Uiso   1.00
H118   H     0.74482   0.78883   0.76426   0.00000  Uiso   1.00
H119   H     0.69009   0.75369   0.71850   0.00000  Uiso   1.00
H120   H     0.63593   0.70675   0.75376   0.00000  Uiso   1.00
C121   C     0.31384   0.34049   0.99616   0.00000  Uiso   1.00
C122   C     0.33000   0.36995   1.00540   0.00000  Uiso   1.00
C123   C     0.32900   0.30949   1.00292   0.00000  Uiso   1.00
C124   C     0.36085   0.36885   1.02111   0.00000  Uiso   1.00
C125   C     0.36060   0.30885   1.01786   0.00000  Uiso   1.00
C126   C     0.37625   0.33841   1.02703   0.00000  Uiso   1.00
O127   O     0.37626   0.27853   1.02397   0.00000  Uiso   1.00
O128   O     0.31242   0.28049   0.99440   0.00000  Uiso   1.00
O129   O     0.28320   0.34303   0.98090   0.00000  Uiso   1.00
H130   H     0.31813   0.39429   1.00048   0.00000  Uiso   1.00
H131   H     0.37332   0.39225   1.02849   0.00000  Uiso   1.00
H132   H     0.40101   0.33790   1.03898   0.00000  Uiso   1.00
H133   H     0.39468   0.27696   1.00867   0.00000  Uiso   1.00
H134   H     0.32536   0.26266   1.00356   0.00000  Uiso   1.00
H135   H     0.27405   0.32096   0.98131   0.00000  Uiso   1.00
C136   C     0.73447   0.22775   0.85675   0.00000  Uiso   1.00
C137   C     0.70349   0.22275   0.84168   0.00000  Uiso   1.00
C138   C     0.76325   0.21307   0.84276   0.00000  Uiso   1.00
C139   C     0.70050   0.20339   0.81321   0.00000  Uiso   1.00
C140   C     0.75980   0.19295   0.81406   0.00000  Uiso   1.00
C141   C     0.72858   0.18849   0.79958   0.00000  Uiso   1.00
O142   O     0.78734   0.17779   0.80022   0.00000  Uiso   1.00
O143   O     0.79375   0.21887   0.85770   0.00000  Uiso   1.00
O144   O     0.73488   0.24721   0.88499   0.00000  Uiso   1.00
H145   H     0.68113   0.23454   0.85235   0.00000  Uiso   1.00
H146   H     0.67583   0.19977   0.80162   0.00000  Uiso   1.00
H147   H     0.72587   0.17308   0.77698   0.00000  Uiso   1.00
H148   H     0.78159   0.17263   0.77773   0.00000  Uiso   1.00
H149   H     0.81005   0.20589   0.84601   0.00000  Uiso   1.00
H150   H     0.75711   0.25543   0.88812   0.00000  Uiso   1.00
C151   C    -0.01547   0.45612   0.14033   0.00000  Uiso   1.00
C152   C    -0.02267   0.43975   0.17024   0.00000  Uiso   1.00
C153   C     0.01027   0.44426   0.11958   0.00000  Uiso   1.00
C154   C    -0.00478   0.41157   0.17950   0.00000  Uiso   1.00
C155   C     0.02904   0.41666   0.12998   0.00000  Uiso   1.00
C156   C     0.02102   0.40009   0.15940   0.00000  Uiso   1.00
O157   O     0.05575   0.40508   0.11118   0.00000  Uiso   1.00
O158   O     0.01626   0.46074   0.08986   0.00000  Uiso   1.00
O159   O    -0.03413   0.48364   0.13208   0.00000  Uiso   1.00
H160   H    -0.04285   0.44904   0.18643   0.00000  Uiso   1.00
H161   H    -0.01100   0.39834   0.20279   0.00000  Uiso   1.00
H162   H     0.03509   0.37764   0.16686   0.00000  Uiso   1.00
H163   H     0.07471   0.41867   0.11664   0.00000  Uiso   1.00
H164   H     0.02882   0.44596   0.07598   0.00000  Uiso   1.00
H165   H    -0.02665   0.49014   0.11038   0.00000  Uiso   1.00
C166   C     0.24849   0.59084   0.63874   0.00000  Uiso   1.00
C167   C     0.24946   0.61239   0.66603   0.00000  Uiso   1.00
C168   C     0.26926   0.56253   0.63791   0.00000  Uiso   1.00
C169   C     0.27136   0.60633   0.69214   0.00000  Uiso   1.00
C170   C     0.28991   0.55568   0.66529   0.00000  Uiso   1.00
C171   C     0.29150   0.57817   0.69169   0.00000  Uiso   1.00
O172   O     0.30909   0.52707   0.66718   0.00000  Uiso   1.00
O173   O     0.26775   0.54246   0.61000   0.00000  Uiso   1.00
O174   O     0.22703   0.59811   0.61303   0.00000  Uiso   1.00
H175   H     0.23306   0.63441   0.66653   0.00000  Uiso   1.00
H176   H     0.27279   0.62357   0.71345   0.00000  Uiso   1.00
H177   H     0.30881   0.57361   0.71253   0.00000  Uiso   1.00
H178   H     0.29463   0.50862   0.66224   0.00000  Uiso   1.00
H179   H     0.28685   0.52823   0.60987   0.00000  Uiso   1.00
H180   H     0.23247   0.58247   0.59586   0.00000  Uiso   1.00
C181   C     0.30942   0.11773   0.62936   0.00000  Uiso   1.00
C182   C     0.31662   0.11235   0.66299   0.00000  Uiso   1.00
C183   C     0.28434   0.14063   0.62047   0.00000  Uiso   1.00
C184   C     0.29908   0.12927   0.68759   0.00000  Uiso   1.00
C185   C     0.26696   0.15802   0.64562   0.00000  Uiso   1.00
C186   C     0.27443   0.15206   0.67898   0.00000  Uiso   1.00
O187   O     0.24281   0.18061   0.63639   0.00000  Uiso   1.00
O188   O     0.27734   0.14580   0.58707   0.00000  Uiso   1.00
O189   O     0.32729   0.10026   0.60586   0.00000  Uiso   1.00
H190   H     0.33630   0.09455   0.67014   0.00000  Uiso   1.00
H191   H     0.30492   0.12456   0.71405   0.00000  Uiso   1.00
H192   H     0.26094   0.16526   0.69896   0.00000  Uiso   1.00
H193   H     0.23539   0.19151   0.65610   0.00000  Uiso   1.00
H194   H     0.26215   0.16418   0.58724   0.00000  Uiso   1.00
H195   H     0.31676   0.10565   0.58520   0.00000  Uiso   1.00
C196   C     0.06626   0.11807   0.06932   0.00000  Uiso   1.00
C197   C     0.06506   0.13531   0.03910   0.00000  Uiso   1.00
C198   C     0.05065   0.13171   0.09764   0.00000  Uiso   1.00
C199   C     0.04868   0.16574   0.03689   0.00000  Uiso   1.00
C200   C     0.03418   0.16271   0.09518   0.00000  Uiso   1.00
C201   C     0.03337   0.17943   0.06480   0.00000  Uiso   1.00
O202   O     0.01907   0.17551   0.12315   0.00000  Uiso   1.00
O203   O     0.05153   0.11421   0.12738   0.00000  Uiso   1.00
O204   O     0.08273   0.08806   0.06996   0.00000  Uiso   1.00
H205   H     0.07709   0.12465   0.01679   0.00000  Uiso   1.00
H206   H     0.04759   0.17889   0.01275   0.00000  Uiso   1.00
H207   H     0.02066   0.20376   0.06259   0.00000  Uiso   1.00
H208   H     0.00848   0.19616   0.11706   0.00000  Uiso   1.00
H209   H     0.04634   0.13023   0.14434   0.00000  Uiso   1.00
H210   H     0.08422   0.08167   0.09283   0.00000  Uiso   1.00
C211   C     0.75065   0.22535   0.38123   0.00000  Uiso   1.00
C212   C     0.72328   0.21853   0.40164   0.00000  Uiso   1.00
C213   C     0.77890   0.20443   0.38180   0.00000  Uiso   1.00
C214   C     0.72381   0.19124   0.42290   0.00000  Uiso   1.00
C215   C     0.77876   0.17629   0.40264   0.00000  Uiso   1.00
C216   C     0.75132   0.17021   0.42321   0.00000  Uiso   1.00
O217   O     0.80472   0.15379   0.40429   0.00000  Uiso   1.00
O218   O     0.80550   0.21259   0.36122   0.00000  Uiso   1.00
O219   O     0.74919   0.25309   0.36106   0.00000  Uiso   1.00
H220   H     0.70128   0.23498   0.40084   0.00000  Uiso   1.00
H221   H     0.70238   0.18617   0.43931   0.00000  Uiso   1.00
H222   H     0.75152   0.14831   0.43984   0.00000  Uiso   1.00
H223   H     0.81348   0.15084   0.38216   0.00000  Uiso   1.00
H224   H     0.82586   0.20587   0.37201   0.00000  Uiso   1.00
H225   H     0.77132   0.25513   0.35244   0.00000  Uiso   1.00
C226   C     0.39678   0.46158   0.33664   0.00000  Uiso   1.00
C227   C     0.37348   0.43988   0.35042   0.00000  Uiso   1.00
C228   C     0.38918   0.47883   0.30672   0.00000  Uiso   1.00
C229   C     0.34294   0.43479   0.33500   0.00000  Uiso   1.00
C230   C     0.35799   0.47392   0.29155   0.00000  Uiso   1.00
C231   C     0.33532   0.45155   0.30567   0.00000  Uiso   1.00
O232   O     0.34796   0.49040   0.26317   0.00000  Uiso   1.00
O233   O     0.41250   0.50066   0.29326   0.00000  Uiso   1.00
O234   O     0.42702   0.46645   0.35194   0.00000  Uiso   1.00
H235   H     0.37904   0.42652   0.37382   0.00000  Uiso   1.00
H236   H     0.32463   0.41757   0.34617   0.00000  Uiso   1.00
H237   H     0.31098   0.44729   0.29349   0.00000  Uiso   1.00
H238   H     0.36083   0.51028   0.26049   0.00000  Uiso   1.00
H239   H     0.41270   0.49732   0.26972   0.00000  Uiso   1.00
H240   H     0.42684   0.45496   0.37268   0.00000  Uiso   1.00
C241   C     0.17425   0.08931   0.55991   0.00000  Uiso   1.00
C242   C     0.20149   0.10994   0.55350   0.00000  Uiso   1.00
C243   C     0.16036   0.07015   0.53397   0.00000  Uiso   1.00
C244   C     0.21523   0.11136   0.52174   0.00000  Uiso   1.00
C245   C     0.17453   0.07167   0.50187   0.00000  Uiso   1.00
C246   C     0.20180   0.09235   0.49603   0.00000  Uiso   1.00
O247   O     0.16103   0.05222   0.47695   0.00000  Uiso   1.00
O248   O     0.13348   0.04962   0.54086   0.00000  Uiso   1.00
O249   O     0.16235   0.08774   0.59201   0.00000  Uiso   1.00
H250   H     0.21244   0.12456   0.57406   0.00000  Uiso   1.00
H251   H     0.23712   0.12733   0.51709   0.00000  Uiso   1.00
H252   H     0.21311   0.09364   0.47099   0.00000  Uiso   1.00
H253   H     0.17804   0.04767   0.46096   0.00000  Uiso   1.00
H254   H     0.13140   0.03575   0.52157   0.00000  Uiso   1.00
H255   H     0.14844   0.06841   0.59215   0.00000  Uiso   1.00
C256   C     0.44433   0.36403   0.82865   0.00000  Uiso   1.00
C257   C     0.47210   0.34442   0.82141   0.00000  Uiso   1.00
C258   C     0.41688   0.36396   0.80686   0.00000  Uiso   1.00
C259   C     0.47282   0.32520   0.79260   0.00000  Uiso   1.00
C260   C     0.41766   0.34411   0.77792   0.00000  Uiso   1.00
C261   C     0.44578   0.32501   0.77087   0.00000  Uiso   1.00
O262   O     0.39004   0.34490   0.75781   0.00000  Uiso   1.00
O263   O     0.38953   0.38348   0.81460   0.00000  Uiso   1.00
O264   O     0.44444   0.38277   0.85731   0.00000  Uiso   1.00
H265   H     0.49355   0.34436   0.83859   0.00000  Uiso   1.00
H266   H     0.49521   0.31039   0.78673   0.00000  Uiso   1.00
H267   H     0.44735   0.30996   0.74788   0.00000  Uiso   1.00
H268   H     0.39343   0.33026   0.73918   0.00000  Uiso   1.00
H269   H     0.37429   0.38100   0.79635   0.00000  Uiso   1.00
H270   H     0.42397   0.39494   0.85643   0.00000  Uiso   1.00
C271   C     0.94027   0.66927   0.81150   0.00000  Uiso   1.00
C272   C     0.97239   0.66118   0.82214   0.00000  Uiso   1.00
C273   C     0.91416   0.64627   0.81603   0.00000  Uiso   1.00
C274   C     0.97885   0.63046   0.83671   0.00000  Uiso   1.00
C275   C     0.92079   0.61548   0.83163   0.00000  Uiso   1.00
C276   C     0.95317   0.60771   0.84140   0.00000  Uiso   1.00
O277   O     0.89469   0.59390   0.83658   0.00000  Uiso   1.00
O278   O     0.88253   0.65443   0.80499   0.00000  Uiso   1.00
O279   O     0.93542   0.69973   0.79656   0.00000  Uiso   1.00
H280   H     0.99292   0.67905   0.81825   0.00000  Uiso   1.00
H281   H     1.00450   0.62408   0.84434   0.00000  Uiso   1.00
H282   H     0.95888   0.58341   0.85291   0.00000  Uiso   1.00
H283   H     0.90332   0.57341   0.84542   0.00000  Uiso   1.00
H284   H     0.86938   0.63477   0.80857   0.00000  Uiso   1.00
H285   H     0.91385   0.69827   0.78670   0.00000  Uiso   1.00
C286   C     0.82981   0.93942   0.22597   0.00000  Uiso   1.00
C287   C     0.84611   0.95929   0.24945   0.00000  Uiso   1.00
C288   C     0.79861   0.94938   0.21329   0.00000  Uiso   1.00
C289   C     0.83144   0.98857   0.26067   0.00000  Uiso   1.00
C290   C     0.78399   0.97925   0.22476   0.00000  Uiso   1.00
C291   C     0.80051   0.99838   0.24854   0.00000  Uiso   1.00
O292   O     0.75353   0.98884   0.21218   0.00000  Uiso   1.00
O293   O     0.78325   0.92944   0.18971   0.00000  Uiso   1.00
O294   O     0.84512   0.91050   0.21567   0.00000  Uiso   1.00
H295   H     0.87093   0.95189   0.25865   0.00000  Uiso   1.00
H296   H     0.84442   1.00437   0.27903   0.00000  Uiso   1.00
H297   H     0.78949   1.02175   0.25795   0.00000  Uiso   1.00
H298   H     0.74836   1.00995   0.22168   0.00000  Uiso   1.00
H299   H     0.76487   0.94226   0.18166   0.00000  Uiso   1.00
H300   H     0.82972   0.90081   0.20025   0.00000  Uiso   1.00
C301   C     0.51840   0.03136   0.15943   0.00000  Uiso   1.00
C302   C     0.52451   0.04972   0.18841   0.00000  Uiso   1.00
C303   C     0.48632   0.01845   0.15327   0.00000  Uiso   1.00
C304   C     0.49910   0.05516   0.21133   0.00000  Uiso   1.00
C305   C     0.46099   0.02387   0.17677   0.00000  Uiso   1.00
C306   C     0.46750   0.04218   0.20552   0.00000  Uiso   1.00
O307   O     0.42896   0.01149   0.17180   0.00000  Uiso   1.00
O308   O     0.48097   0.00075   0.12411   0.00000  Uiso   1.00
O309   O     0.54436   0.02672   0.13752   0.00000  Uiso   1.00
H310   H     0.54960   0.06010   0.19287   0.00000  Uiso   1.00
H311   H     0.50396   0.06979   0.23408   0.00000  Uiso   1.00
H312   H     0.44743   0.04643   0.22384   0.00000  Uiso   1.00
H313   H     0.42893  -0.01130   0.17932   0.00000  Uiso   1.00
H314   H     0.45774   0.00259   0.11909   0.00000  Uiso   1.00
H315   H     0.53543   0.01278   0.12034   0.00000  Uiso   1.00
C316   C     0.89222   0.11629   0.55346   0.00000  Uiso   1.00
C317   C     0.87582   0.13278   0.52760   0.00000  Uiso   1.00
C318   C     0.92709   0.11229   0.55223   0.00000  Uiso   1.00
C319   C     0.89371   0.14503   0.50062   0.00000  Uiso   1.00
C320   C     0.94508   0.12504   0.52481   0.00000  Uiso   1.00
C321   C     0.92813   0.14138   0.49934   0.00000  Uiso   1.00
O322   O     0.97918   0.12111   0.52393   0.00000  Uiso   1.00
O323   O     0.94280   0.09599   0.57821   0.00000  Uiso   1.00
O324   O     0.87340   0.10431   0.57943   0.00000  Uiso   1.00
H325   H     0.84855   0.13616   0.52868   0.00000  Uiso   1.00
H326   H     0.88042   0.15774   0.48022   0.00000  Uiso   1.00
H327   H     0.94181   0.15189   0.47797   0.00000  Uiso   1.00
H328   H     0.98686   0.13005   0.50331   0.00000  Uiso   1.00
H329   H     0.96563   0.09462   0.57158   0.00000  Uiso   1.00
H330   H     0.88863   0.09202   0.59302   0.00000  Uiso   1.00
C331   C     0.60238   0.44709   0.18489   0.00000  Uiso   1.00
C332   C     0.59013   0.41987   0.16706   0.00000  Uiso   1.00
C333   C     0.63626   0.44791   0.19430   0.00000  Uiso   1.00
C334   C     0.61096   0.39354   0.15871   0.00000  Uiso   1.00
C335   C     0.65740   0.42145   0.18479   0.00000  Uiso   1.00
C336   C     0.64449   0.39448   0.16729   0.00000  Uiso   1.00
O337   O     0.69059   0.42304   0.19318   0.00000  Uiso   1.00
O338   O     0.64836   0.47467   0.21240   0.00000  Uiso   1.00
O339   O     0.58031   0.47233   0.19243   0.00000  Uiso   1.00
H340   H     0.56380   0.41928   0.15916   0.00000  Uiso   1.00
H341   H     0.60082   0.37178   0.14529   0.00000  Uiso   1.00
H342   H     0.66079   0.37360   0.15991   0.00000  Uiso   1.00
H343   H     0.70195   0.40561   0.18167   0.00000  Uiso   1.00
H344   H     0.67182   0.47035   0.21463   0.00000  Uiso   1.00
H345   H     0.59316   0.49241   0.19311   0.00000  Uiso   1.00
C346   C     0.43637   0.81346   0.17796   0.00000  Uiso   1.00
C347   C     0.41582   0.79397   0.15768   0.00000  Uiso   1.00
C348   C     0.46542   0.79955   0.19199   0.00000  Uiso   1.00
C349   C     0.42365   0.76083   0.15137   0.00000  Uiso   1.00
C350   C     0.47299   0.76597   0.18551   0.00000  Uiso   1.00
C351   C     0.45204   0.74687   0.16548   0.00000  Uiso   1.00
O352   O     0.50081   0.75054   0.19917   0.00000  Uiso   1.00
O353   O     0.48539   0.81912   0.21242   0.00000  Uiso   1.00
O354   O     0.42686   0.84597   0.18343   0.00000  Uiso   1.00
H355   H     0.39323   0.80512   0.14659   0.00000  Uiso   1.00
H356   H     0.40739   0.74567   0.13517   0.00000  Uiso   1.00
H357   H     0.45808   0.72047   0.16061   0.00000  Uiso   1.00
H358   H     0.52027   0.76090   0.19002   0.00000  Uiso   1.00
H359   H     0.49454   0.80432   0.22872   0.00000  Uiso   1.00
H360   H     0.44653   0.85758   0.19033   0.00000  Uiso   1.00
C361   C     0.75149   0.57193   0.51419   0.00000  Uiso   1.00
C362   C     0.71902   0.58429   0.51610   0.00000  Uiso   1.00
C363   C     0.76023   0.54982   0.48830   0.00000  Uiso   1.00
C364   C     0.69571   0.57601   0.49189   0.00000  Uiso   1.00
C365   C     0.73641   0.54161   0.46396   0.00000  Uiso   1.00
C366   C     0.70441   0.55488   0.46583   0.00000  Uiso   1.00
O367   O     0.74517   0.52063   0.43798   0.00000  Uiso   1.00
O368   O     0.79232   0.53727   0.48734   0.00000  Uiso   1.00
O369   O     0.77399   0.58183   0.53809   0.00000  Uiso   1.00
H370   H     0.71167   0.60041   0.53712   0.00000  Uiso   1.00
H371   H     0.67013   0.58587   0.49373   0.00000  Uiso   1.00
H372   H     0.68572   0.54818   0.44678   0.00000  Uiso   1.00
H373   H     0.73744   0.53077   0.41764   0.00000  Uiso   1.00
H374   H     0.79201   0.52010   0.47070   0.00000  Uiso   1.00
H375   H     0.79431   0.57084   0.53217   0.00000  Uiso   1.00
C376   C     0.87581   0.97893   0.17133   0.00000  Uiso   1.00
C377   C     0.88195   1.01125   0.18260   0.00000  Uiso   1.00
C378   C     0.84815   0.97279   0.15053   0.00000  Uiso   1.00
C379   C     0.86090   1.03721   0.17372   0.00000  Uiso   1.00
C380   C     0.82711   0.99946   0.14138   0.00000  Uiso   1.00
C381   C     0.83364   1.03145   0.15312   0.00000  Uiso   1.00
O382   O     0.80021   0.99294   0.12103   0.00000  Uiso   1.00
O383   O     0.84174   0.94068   0.13954   0.00000  Uiso   1.00
O384   O     0.89712   0.95421   0.18186   0.00000  Uiso   1.00
H385   H     0.90353   1.01610   0.19893   0.00000  Uiso   1.00
H386   H     0.86611   1.06238   0.18327   0.00000  Uiso   1.00
H387   H     0.81724   1.05248   0.14641   0.00000  Uiso   1.00
H388   H     0.79297   1.01346   0.11154   0.00000  Uiso   1.00
H389   H     0.81993   0.94211   0.12997   0.00000  Uiso   1.00
H390   H     0.88534   0.93379   0.17832   0.00000  Uiso   1.00
C391   C     0.66504   0.50803   0.34829   0.00000  Uiso   1.00
C392   C     0.67933   0.47634   0.34954   0.00000  Uiso   1.00
C393   C     0.64477   0.51686   0.32095   0.00000  Uiso   1.00
C394   C     0.67363   0.45344   0.32420   0.00000  Uiso   1.00
C395   C     0.63957   0.49360   0.29510   0.00000  Uiso   1.00
C396   C     0.65380   0.46202   0.29711   0.00000  Uiso   1.00
O397   O     0.62054   0.50290   0.26802   0.00000  Uiso   1.00
O398   O     0.63076   0.54835   0.31962   0.00000  Uiso   1.00
O399   O     0.67200   0.52958   0.37410   0.00000  Uiso   1.00
H400   H     0.69558   0.46961   0.37068   0.00000  Uiso   1.00
H401   H     0.68520   0.42853   0.32550   0.00000  Uiso   1.00
H402   H     0.64955   0.44355   0.27718   0.00000  Uiso   1.00
H403   H     0.62626   0.48842   0.24987   0.00000  Uiso   1.00
H404   H     0.62009   0.54928   0.29833   0.00000  Uiso   1.00
H405   H     0.66996   0.55157   0.36520   0.00000  Uiso   1.00
C406   C     0.51410   0.85300   0.10790   0.00000  Uiso   1.00
C407   C     0.49134   0.85847   0.08215   0.00000  Uiso   1.00
C408   C     0.50784   0.86607   0.13991   0.00000  Uiso   1.00
C409   C     0.46292   0.87744   0.08785   0.00000  Uiso   1.00
C410   C     0.47899   0.88546   0.14541   0.00000  Uiso   1.00
C411   C     0.45695   0.89105   0.11917   0.00000  Uiso   1.00
O412   O     0.47327   0.89818   0.17681   0.00000  Uiso   1.00
O413   O     0.53052   0.85954   0.16513   0.00000  Uiso   1.00
O414   O     0.54248   0.83500   0.10097   0.00000  Uiso   1.00
H415   H     0.49614   0.84791   0.05720   0.00000  Uiso   1.00
H416   H     0.44510   0.88187   0.06736   0.00000  Uiso   1.00
H417   H     0.43422   0.90600   0.12296   0.00000  Uiso   1.00
H418   H     0.45610   0.91480   0.17545   0.00000  Uiso   1.00
H419   H     0.51946   0.86618   0.18521   0.00000  Uiso   1.00
H420   H     0.55610   0.83797   0.12027   0.00000  Uiso   1.00
C421   C     0.73188   0.56599   0.24601   0.00000  Uiso   1.00
C422   C     0.70743   0.56207   0.27042   0.00000  Uiso   1.00
C423   C     0.75577   0.59182   0.24849   0.00000  Uiso   1.00
C424   C     0.70628   0.58369   0.29736   0.00000  Uiso   1.00
C425   C     0.75419   0.61375   0.27579   0.00000  Uiso   1.00
C426   C     0.72947   0.60921   0.29998   0.00000  Uiso   1.00
O427   O     0.77582   0.63988   0.28111   0.00000  Uiso   1.00
O428   O     0.77940   0.59346   0.22347   0.00000  Uiso   1.00
O429   O     0.73189   0.54399   0.21963   0.00000  Uiso   1.00
H430   H     0.68931   0.54151   0.26847   0.00000  Uiso   1.00
H431   H     0.68713   0.58067   0.31679   0.00000  Uiso   1.00
H432   H     0.72823   0.62597   0.32177   0.00000  Uiso   1.00
H433   H     0.78560   0.64648   0.26028   0.00000  Uiso   1.00
H434   H     0.79477   0.61117   0.22771   0.00000  Uiso   1.00
H435   H     0.75060   0.55096   0.20643   0.00000  Uiso   1.00
C436   C     0.67503   0.31472   0.69278   0.00000  Uiso   1.00
C437   C     0.66161   0.29202   0.67001   0.00000  Uiso   1.00
C438   C     0.70901   0.32341   0.69056   0.00000  Uiso   1.00
C439   C     0.68141   0.27801   0.64530   0.00000  Uiso   1.00
C440   C     0.72900   0.30860   0.66573   0.00000  Uiso   1.00
C441   C     0.71503   0.28613   0.64328   0.00000  Uiso   1.00
O442   O     0.76234   0.31677   0.66427   0.00000  Uiso   1.00
O443   O     0.72230   0.34601   0.71298   0.00000  Uiso   1.00
O444   O     0.65404   0.32743   0.71672   0.00000  Uiso   1.00
H445   H     0.63503   0.28520   0.67180   0.00000  Uiso   1.00
H446   H     0.67043   0.26037   0.62729   0.00000  Uiso   1.00
H447   H     0.73042   0.27465   0.62357   0.00000  Uiso   1.00
H448   H     0.77350   0.29900   0.65317   0.00000  Uiso   1.00
H449   H     0.74562   0.34657   0.70796   0.00000  Uiso   1.00
H450   H     0.66787   0.33855   0.73262   0.00000  Uiso   1.00
C451   C     0.97554   0.70518   0.99365   0.00000  Uiso   1.00
C452   C     0.99909   0.72776   0.98153   0.00000  Uiso   1.00
C453   C     0.95631   0.68636   0.97104   0.00000  Uiso   1.00
C454   C     1.00389   0.73151   0.94745   0.00000  Uiso   1.00
C455   C     0.96147   0.69025   0.93642   0.00000  Uiso   1.00
C456   C     0.98531   0.71274   0.92501   0.00000  Uiso   1.00
O457   O     0.94268   0.67144   0.91475   0.00000  Uiso   1.00
O458   O     0.93281   0.66435   0.98341   0.00000  Uiso   1.00
O459   O     0.97210   0.70243   1.02765   0.00000  Uiso   1.00
H460   H     1.01389   0.74280   0.99921   0.00000  Uiso   1.00
H461   H     1.02247   0.74959   0.93821   0.00000  Uiso   1.00
H462   H     0.98969   0.71600   0.89804   0.00000  Uiso   1.00
H463   H     0.94896   0.67698   0.89251   0.00000  Uiso   1.00
H464   H     0.92018   0.65732   0.96444   0.00000  Uiso   1.00
H465   H     0.96020   0.68216   1.03172   0.00000  Uiso   1.00
C466   C     0.88608   0.50996   0.83913   0.00000  Uiso   1.00
C467   C     0.86069   0.51266   0.86273   0.00000  Uiso   1.00
C468   C     0.88361   0.48613   0.81339   0.00000  Uiso   1.00
C469   C     0.83360   0.49115   0.86157   0.00000  Uiso   1.00
C470   C     0.85597   0.46434   0.81264   0.00000  Uiso   1.00
C471   C     0.83141   0.46692   0.83699   0.00000  Uiso   1.00
O472   O     0.85391   0.44068   0.78799   0.00000  Uiso   1.00
O473   O     0.90883   0.48479   0.78993   0.00000  Uiso   1.00
O474   O     0.91325   0.53077   0.84203   0.00000  Uiso   1.00
H475   H     0.86233   0.53154   0.88263   0.00000  Uiso   1.00
H476   H     0.81380   0.49278   0.88047   0.00000  Uiso   1.00
H477   H     0.80993   0.44976   0.83720   0.00000  Uiso   1.00
H478   H     0.83403   0.42801   0.79189   0.00000  Uiso   1.00
H479   H     0.90390   0.46594   0.77583   0.00000  Uiso   1.00
H480   H     0.92934   0.52138   0.82707   0.00000  Uiso   1.00
C481   C     0.60826   0.62372   0.60935   0.00000  Uiso   1.00
C482   C     0.58081   0.60297   0.60418   0.00000  Uiso   1.00
C483   C     0.62684   0.63509   0.58181   0.00000  Uiso   1.00
C484   C     0.57202   0.59313   0.57218   0.00000  Uiso   1.00
C485   C     0.61729   0.62554   0.54933   0.00000  Uiso   1.00
C486   C     0.59009   0.60446   0.54488   0.00000  Uiso   1.00
O487   O     0.63524   0.63738   0.52257   0.00000  Uiso   1.00
O488   O     0.65400   0.65559   0.58735   0.00000  Uiso   1.00
O489   O     0.61618   0.63236   0.64155   0.00000  Uiso   1.00
H490   H     0.56594   0.59449   0.62569   0.00000  Uiso   1.00
H491   H     0.55057   0.57632   0.56859   0.00000  Uiso   1.00
H492   H     0.58257   0.59640   0.51970   0.00000  Uiso   1.00
H493   H     0.62339   0.63134   0.50293   0.00000  Uiso   1.00
H494   H     0.66329   0.65912   0.56569   0.00000  Uiso   1.00
H495   H     0.63461   0.64728   0.63961   0.00000  Uiso   1.00
C496   C     0.31771   0.30412   0.73474   0.00000  Uiso   1.00
C497   C     0.29214   0.28223   0.74347   0.00000  Uiso   1.00
C498   C     0.34538   0.29222   0.71657   0.00000  Uiso   1.00
C499   C     0.29403   0.24875   0.73493   0.00000  Uiso   1.00
C500   C     0.34745   0.25798   0.70882   0.00000  Uiso   1.00
C501   C     0.32172   0.23664   0.71802   0.00000  Uiso   1.00
O502   O     0.37505   0.24635   0.69211   0.00000  Uiso   1.00
O503   O     0.37025   0.31405   0.70658   0.00000  Uiso   1.00
O504   O     0.31422   0.33690   0.74456   0.00000  Uiso   1.00
H505   H     0.27043   0.29151   0.75760   0.00000  Uiso   1.00
H506   H     0.27378   0.23163   0.74208   0.00000  Uiso   1.00
H507   H     0.32318   0.20986   0.71193   0.00000  Uiso   1.00
H508   H     0.37043   0.22374   0.68574   0.00000  Uiso   1.00
H509   H     0.37858   0.30567   0.68561   0.00000  Uiso   1.00
H510   H     0.33629   0.34481   0.74940   0.00000  Uiso   1.00
C511   C     0.88600   0.78016   0.96339   0.00000  Uiso   1.00
C512   C     0.89882   0.75793   0.98669   0.00000  Uiso   1.00
C513   C     0.85263   0.79077   0.96584   0.00000  Uiso   1.00
C514   C     0.87900   0.74614   1.01249   0.00000  Uiso   1.00
C515   C     0.83294   0.77951   0.99267   0.00000  Uiso   1.00
C516   C     0.84635   0.75722   1.01584   0.00000  Uiso   1.00
O517   O     0.80043   0.78951   0.99676   0.00000  Uiso   1.00
O518   O     0.83863   0.81202   0.94249   0.00000  Uiso   1.00
O519   O     0.90567   0.79183   0.93771   0.00000  Uiso   1.00
H520   H     0.92478   0.74914   0.98443   0.00000  Uiso   1.00
H521   H     0.88947   0.72784   1.03013   0.00000  Uiso   1.00
H522   H     0.83087   0.74798   1.03661   0.00000  Uiso   1.00
H523   H     0.79614   0.80359   0.97809   0.00000  Uiso   1.00
H524   H     0.85362   0.81115   0.92387   0.00000  Uiso   1.00
H525   H     0.92826   0.79167   0.94581   0.00000  Uiso   1.00
C526   C     0.81004   0.45718   0.44499   0.00000  Uiso   1.00
C527   C     0.83160   0.46372   0.41848   0.00000  Uiso   1.00
C528   C     0.82042   0.46363   0.47790   0.00000  Uiso   1.00
C529   C     0.86329   0.47632   0.42447   0.00000  Uiso   1.00
C530   C     0.85270   0.47627   0.48374   0.00000  Uiso   1.00
C531   C     0.87384   0.48249   0.45691   0.00000  Uiso   1.00
O532   O     0.86257   0.48211   0.51604   0.00000  Uiso   1.00
O533   O     0.79841   0.45725   0.50361   0.00000  Uiso   1.00
O534   O     0.77898   0.44451   0.43792   0.00000  Uiso   1.00
H535   H     0.82336   0.45903   0.39265   0.00000  Uiso   1.00
H536   H     0.88016   0.48136   0.40334   0.00000  Uiso   1.00
H537   H     0.89915   0.49245   0.46106   0.00000  Uiso   1.00
H538   H     0.88588   0.48660   0.51575   0.00000  Uiso   1.00
H539   H     0.81050   0.46150   0.52369   0.00000  Uiso   1.00
H540   H     0.76644   0.44694   0.45807   0.00000  Uiso   1.00
C541   C     0.49520   0.64002   0.69876   0.00000  Uiso   1.00
C542   C     0.50464   0.67281   0.70593   0.00000  Uiso   1.00
C543   C     0.49843   0.62811   0.66589   0.00000  Uiso   1.00
C544   C     0.51762   0.69334   0.68125   0.00000  Uiso   1.00
C545   C     0.51049   0.64953   0.64076   0.00000  Uiso   1.00
C546   C     0.52054   0.68173   0.64873   0.00000  Uiso   1.00
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O549   O     0.48312   0.62125   0.72471   0.00000  Uiso   1.00
H550   H     0.50208   0.68222   0.73165   0.00000  Uiso   1.00
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H552   H     0.53070   0.69826   0.62925   0.00000  Uiso   1.00
H553   H     0.52056   0.65462   0.59447   0.00000  Uiso   1.00
H554   H     0.49273   0.59502   0.63424   0.00000  Uiso   1.00
H555   H     0.48129   0.59864   0.71713   0.00000  Uiso   1.00
C556   C     0.02346   0.34466   0.40448   0.00000  Uiso   1.00
C557   C     0.03013   0.34324   0.43864   0.00000  Uiso   1.00
C558   C     0.04342   0.32641   0.38211   0.00000  Uiso   1.00
C559   C     0.05664   0.32429   0.45047   0.00000  Uiso   1.00
C560   C     0.06963   0.30670   0.39441   0.00000  Uiso   1.00
C561   C     0.07634   0.30617   0.42845   0.00000  Uiso   1.00
O562   O     0.08831   0.28812   0.37224   0.00000  Uiso   1.00
O563   O     0.03632   0.32818   0.34848   0.00000  Uiso   1.00
O564   O    -0.00272   0.36396   0.39362   0.00000  Uiso   1.00
H565   H     0.01459   0.35769   0.45615   0.00000  Uiso   1.00
H566   H     0.06225   0.32370   0.47737   0.00000  Uiso   1.00
H567   H     0.09760   0.29159   0.43806   0.00000  Uiso   1.00
H568   H     0.09374   0.26743   0.38306   0.00000  Uiso   1.00
H569   H     0.05253   0.31446   0.33768   0.00000  Uiso   1.00
H570   H    -0.00365   0.36036   0.37001   0.00000  Uiso   1.00
C571   C     0.61027   0.70676   0.14177   0.00000  Uiso   1.00
C572   C     0.61726   0.67866   0.16109   0.00000  Uiso   1.00
C573   C     0.59414   0.73445   0.15629   0.00000  Uiso   1.00
C574   C     0.60835   0.67786   0.19453   0.00000  Uiso   1.00
C575   C     0.58499   0.73328   0.19027   0.00000  Uiso   1.00
C576   C     0.59229   0.70496   0.20893   0.00000  Uiso   1.00
O577   O     0.56896   0.76015   0.20444   0.00000  Uiso   1.00
O578   O     0.58779   0.76197   0.13652   0.00000  Uiso   1.00
O579   O     0.61958   0.70626   0.10877   0.00000  Uiso   1.00
H580   H     0.62991   0.65704   0.14971   0.00000  Uiso   1.00
H581   H     0.61390   0.65561   0.20971   0.00000  Uiso   1.00
H582   H     0.58516   0.70358   0.23545   0.00000  Uiso   1.00
H583   H     0.56737   0.75596   0.22802   0.00000  Uiso   1.00
H584   H     0.57621   0.77743   0.15042   0.00000  Uiso   1.00
H585   H     0.61349   0.72764   0.10020   0.00000  Uiso   1.00
C586   C     0.25191   0.40929   0.85422   0.00000  Uiso   1.00
C587   C     0.25504   0.37658   0.84279   0.00000  Uiso   1.00
C588   C     0.26223   0.41747   0.88680   0.00000  Uiso   1.00
C589   C     0.26828   0.35207   0.86335   0.00000  Uiso   1.00
C590   C     0.27504   0.39226   0.90770   0.00000  Uiso   1.00
C591   C     0.27815   0.35986   0.89564   0.00000  Uiso   1.00
O592   O     0.28441   0.40033   0.93975   0.00000  Uiso   1.00
O593   O     0.25948   0.45018   0.89744   0.00000  Uiso   1.00
O594   O     0.23904   0.43274   0.83275   0.00000  Uiso   1.00
H595   H     0.24755   0.37039   0.81706   0.00000  Uiso   1.00
H596   H     0.27113   0.32641   0.85389   0.00000  Uiso   1.00
H597   H     0.28888   0.34015   0.91154   0.00000  Uiso   1.00
H598   H     0.28569   0.38006   0.95242   0.00000  Uiso   1.00
H599   H     0.26885   0.45025   0.91936   0.00000  Uiso   1.00
H600   H     0.24422   0.45369   0.84286   0.00000  Uiso   1.00
C601   C     0.80659   0.56101   0.12582   0.00000  Uiso   1.00
C602   C     0.78484   0.58760   0.12013   0.00000  Uiso   1.00
C603   C     0.79467   0.53164   0.14093   0.00000  Uiso   1.00
C604   C     0.75157   0.58523   0.12945   0.00000  Uiso   1.00
C605   C     0.76091   0.52955   0.15043   0.00000  Uiso   1.00
C606   C     0.73968   0.55638   0.14455   0.00000  Uiso   1.00
O607   O     0.74972   0.50088   0.16570   0.00000  Uiso   1.00
O608   O     0.81660   0.50553   0.14610   0.00000  Uiso   1.00
O609   O     0.83925   0.56455   0.11615   0.00000  Uiso   1.00
H610   H     0.79418   0.61055   0.10814   0.00000  Uiso   1.00
H611   H     0.73456   0.60635   0.12482   0.00000  Uiso   1.00
H612   H     0.71312   0.55503   0.15169   0.00000  Uiso   1.00
H613   H     0.72969   0.50619   0.17741   0.00000  Uiso   1.00
H614   H     0.80294   0.48688   0.15202   0.00000  Uiso   1.00
H615   H     0.84976   0.54396   0.12186   0.00000  Uiso   1.00
C616   C     0.21159   0.99919   0.54556   0.00000  Uiso   1.00
C617   C     0.22543   1.02467   0.56478   0.00000  Uiso   1.00
C618   C     0.18881   0.97673   0.56013   0.00000  Uiso   1.00
C619   C     0.21633   1.02845   0.59795   0.00000  Uiso   1.00
C620   C     0.18000   0.98062   0.59391   0.00000  Uiso   1.00
C621   C     0.19356   1.00667   0.61232   0.00000  Uiso   1.00
O622   O     0.15803   0.95846   0.60830   0.00000  Uiso   1.00
O623   O     0.17587   0.95134   0.54082   0.00000  Uiso   1.00
O624   O     0.22091   0.99715   0.51264   0.00000  Uiso   1.00
H625   H     0.24305   1.04238   0.55330   0.00000  Uiso   1.00
H626   H     0.22685   1.04910   0.61280   0.00000  Uiso   1.00
H627   H     0.18652   1.01008   0.63865   0.00000  Uiso   1.00
H628   H     0.16203   0.95886   0.63176   0.00000  Uiso   1.00
H629   H     0.16270   0.93792   0.55554   0.00000  Uiso   1.00
H630   H     0.20603   0.98138   0.50285   0.00000  Uiso   1.00
C631   C     0.72184   0.93428   0.10097   0.00000  Uiso   1.00
C632   C     0.72028   0.93792   0.13557   0.00000  Uiso   1.00
C633   C     0.71916   0.90233   0.08667   0.00000  Uiso   1.00
C634   C     0.71581   0.91021   0.15586   0.00000  Uiso   1.00
C635   C     0.71557   0.87438   0.10751   0.00000  Uiso   1.00
C636   C     0.71375   0.87854   0.14192   0.00000  Uiso   1.00
O637   O     0.71371   0.84297   0.09339   0.00000  Uiso   1.00
O638   O     0.72016   0.89928   0.05230   0.00000  Uiso   1.00
O639   O     0.72571   0.96251   0.08194   0.00000  Uiso   1.00
H640   H     0.72225   0.96299   0.14671   0.00000  Uiso   1.00
H641   H     0.71396   0.91331   0.18310   0.00000  Uiso   1.00
H642   H     0.71036   0.85673   0.15834   0.00000  Uiso   1.00
H643   H     0.72714   0.82833   0.10678   0.00000  Uiso   1.00
H644   H     0.71244   0.87715   0.04795   0.00000  Uiso   1.00
H645   H     0.72865   0.95471   0.05962   0.00000  Uiso   1.00
C646   C     0.52876   0.62276   0.22376   0.00000  Uiso   1.00
C647   C     0.52148   0.65663   0.22667   0.00000  Uiso   1.00
C648   C     0.53343   0.60344   0.25270   0.00000  Uiso   1.00
C649   C     0.51850   0.67120   0.25795   0.00000  Uiso   1.00
C650   C     0.53012   0.61840   0.28440   0.00000  Uiso   1.00
C651   C     0.52259   0.65220   0.28666   0.00000  Uiso   1.00
O652   O     0.53446   0.59895   0.31229   0.00000  Uiso   1.00
O653   O     0.54091   0.57001   0.24903   0.00000  Uiso   1.00
O654   O     0.53104   0.60934   0.19229   0.00000  Uiso   1.00
H655   H     0.51829   0.67204   0.20407   0.00000  Uiso   1.00
H656   H     0.51288   0.69808   0.25973   0.00000  Uiso   1.00
H657   H     0.51982   0.66426   0.31121   0.00000  Uiso   1.00
H658   H     0.53070   0.61228   0.33174   0.00000  Uiso   1.00
H659   H     0.54263   0.56157   0.27127   0.00000  Uiso   1.00
H660   H     0.54167   0.58817   0.19467   0.00000  Uiso   1.00
C661   C     0.12471   0.84608   0.56710   0.00000  Uiso   1.00
C662   C     0.11989   0.81713   0.58582   0.00000  Uiso   1.00
C663   C     0.15661   0.85351   0.55433   0.00000  Uiso   1.00
C664   C     0.14641   0.79575   0.59192   0.00000  Uiso   1.00
C665   C     0.18328   0.83138   0.56037   0.00000  Uiso   1.00
C666   C     0.17790   0.80295   0.57949   0.00000  Uiso   1.00
O667   O     0.21413   0.83818   0.54698   0.00000  Uiso   1.00
O668   O     0.16066   0.88225   0.53572   0.00000  Uiso   1.00
O669   O     0.09767   0.86641   0.56137   0.00000  Uiso   1.00
H670   H     0.09502   0.81109   0.59586   0.00000  Uiso   1.00
H671   H     0.14247   0.77277   0.60643   0.00000  Uiso   1.00
H672   H     0.19855   0.78560   0.58475   0.00000  Uiso   1.00
H673   H     0.22744   0.81853   0.54915   0.00000  Uiso   1.00
H674   H     0.18246   0.88054   0.52616   0.00000  Uiso   1.00
H675   H     0.10609   0.88378   0.54738   0.00000  Uiso   1.00
C676   C     0.79669   0.59477   0.97226   0.00000  Uiso   1.00
C677   C     0.79878   0.57933   0.94113   0.00000  Uiso   1.00
C678   C     0.79313   0.57521   1.00124   0.00000  Uiso   1.00
C679   C     0.79659   0.54490   0.93853   0.00000  Uiso   1.00
C680   C     0.79162   0.54026   0.99833   0.00000  Uiso   1.00
C681   C     0.79275   0.52547   0.96694   0.00000  Uiso   1.00
O682   O     0.78887   0.52119   1.02685   0.00000  Uiso   1.00
O683   O     0.79145   0.59095   1.03189   0.00000  Uiso   1.00
O684   O     0.79845   0.62897   0.97331   0.00000  Uiso   1.00
H685   H     0.80212   0.59461   0.91853   0.00000  Uiso   1.00
H686   H     0.79792   0.53308   0.91380   0.00000  Uiso   1.00
H687   H     0.79037   0.49822   0.96430   0.00000  Uiso   1.00
H688   H     0.80104   0.50102   1.02339   0.00000  Uiso   1.00
H689   H     0.78978   0.57336   1.04794   0.00000  Uiso   1.00
H690   H     0.79761   0.63460   0.99643   0.00000  Uiso   1.00
C691   C     0.42528   0.00225   0.05657   0.00000  Uiso   1.00
C692   C     0.45475  -0.00508   0.03955   0.00000  Uiso   1.00
C693   C     0.42142   0.03347   0.07222   0.00000  Uiso   1.00
C694   C     0.48015   0.01840   0.03784   0.00000  Uiso   1.00
C695   C     0.44706   0.05723   0.06974   0.00000  Uiso   1.00
C696   C     0.47631   0.04941   0.05282   0.00000  Uiso   1.00
O697   O     0.44283   0.08824   0.08419   0.00000  Uiso   1.00
O698   O     0.39227   0.03998   0.08943   0.00000  Uiso   1.00
O699   O     0.40064  -0.02156   0.05727   0.00000  Uiso   1.00
H700   H     0.45776  -0.02955   0.02733   0.00000  Uiso   1.00
H701   H     0.50333   0.01257   0.02434   0.00000  Uiso   1.00
H702   H     0.49673   0.06779   0.05132   0.00000  Uiso   1.00
H703   H     0.45186   0.10420   0.06896   0.00000  Uiso   1.00
H704   H     0.39588   0.06107   0.09996   0.00000  Uiso   1.00
H705   H     0.38090  -0.00990   0.06370   0.00000  Uiso   1.00
C706   C     0.01178   0.01087   0.42569   0.00000  Uiso   1.00
C707   C    -0.00815   0.00914   0.39721   0.00000  Uiso   1.00
C708   C     0.02918   0.04046   0.43377   0.00000  Uiso   1.00
C709   C    -0.01024   0.03631   0.37595   0.00000  Uiso   1.00
C710   C     0.02662   0.06798   0.41225   0.00000  Uiso   1.00
C711   C     0.00737   0.06519   0.38322   0.00000  Uiso   1.00
O712   O     0.04177   0.09833   0.41713   0.00000  Uiso   1.00
O713   O     0.04794   0.04016   0.46273   0.00000  Uiso   1.00
O714   O     0.01381  -0.01715   0.44542   0.00000  Uiso   1.00
H715   H    -0.02183  -0.01404   0.39142   0.00000  Uiso   1.00
H716   H    -0.02579   0.03499   0.35337   0.00000  Uiso   1.00
H717   H     0.00581   0.08662   0.36599   0.00000  Uiso   1.00
H718   H     0.05161   0.09946   0.43874   0.00000  Uiso   1.00
H719   H     0.05526   0.06229   0.46756   0.00000  Uiso   1.00
H720   H     0.03174  -0.01282   0.46047   0.00000  Uiso   1.00
C721   C     0.46254   0.41493   0.55225   0.00000  Uiso   1.00
C722   C     0.49188   0.41983   0.53422   0.00000  Uiso   1.00
C723   C     0.44697   0.44232   0.56784   0.00000  Uiso   1.00
C724   C     0.50618   0.45131   0.53225   0.00000  Uiso   1.00
C725   C     0.46176   0.47418   0.56580   0.00000  Uiso   1.00
C726   C     0.49134   0.47828   0.54817   0.00000  Uiso   1.00
O727   O     0.44648   0.50065   0.58142   0.00000  Uiso   1.00
O728   O     0.41747   0.43710   0.58474   0.00000  Uiso   1.00
O729   O     0.44997   0.38303   0.55404   0.00000  Uiso   1.00
H730   H     0.50379   0.39850   0.52160   0.00000  Uiso   1.00
H731   H     0.52938   0.45491   0.51793   0.00000  Uiso   1.00
H732   H     0.50332   0.50299   0.54661   0.00000  Uiso   1.00
H733   H     0.45623   0.52090   0.57318   0.00000  Uiso   1.00
H734   H     0.40985   0.45869   0.59149   0.00000  Uiso   1.00
H735   H     0.43516   0.38281   0.57271   0.00000  Uiso   1.00
C736   C     0.78249   0.73532   0.20856   0.00000  Uiso   1.00
C737   C     0.76233   0.72651   0.18173   0.00000  Uiso   1.00
C738   C     0.80111   0.71056   0.22522   0.00000  Uiso   1.00
C739   C     0.76061   0.69355   0.17116   0.00000  Uiso   1.00
C740   C     0.79929   0.67721   0.21428   0.00000  Uiso   1.00
C741   C     0.77896   0.66901   0.18731   0.00000  Uiso   1.00
O742   O     0.81714   0.65193   0.22946   0.00000  Uiso   1.00
O743   O     0.82119   0.71836   0.25211   0.00000  Uiso   1.00
O744   O     0.78486   0.76777   0.21942   0.00000  Uiso   1.00
H745   H     0.74775   0.74559   0.16830   0.00000  Uiso   1.00
H746   H     0.74487   0.68688   0.14961   0.00000  Uiso   1.00
H747   H     0.77767   0.64306   0.17826   0.00000  Uiso   1.00
H748   H     0.83815   0.66201   0.23605   0.00000  Uiso   1.00
H749   H     0.82144   0.74216   0.25296   0.00000  Uiso   1.00
H750   H     0.77278   0.78147   0.20424   0.00000  Uiso   1.00
C751   C     0.31372   0.43068   0.79363   0.00000  Uiso   1.00
C752   C     0.32727   0.43454   0.82547   0.00000  Uiso   1.00
C753   C     0.30018   0.45853   0.77695   0.00000  Uiso   1.00
C754   C     0.32779   0.46562   0.84072   0.00000  Uiso   1.00
C755   C     0.30151   0.48986   0.79241   0.00000  Uiso   1.00
C756   C     0.31507   0.49327   0.82416   0.00000  Uiso   1.00
O757   O     0.28922   0.51771   0.77578   0.00000  Uiso   1.00
O758   O     0.28623   0.45466   0.74563   0.00000  Uiso   1.00
O759   O     0.31403   0.39927   0.77988   0.00000  Uiso   1.00
H760   H     0.33695   0.41261   0.83897   0.00000  Uiso   1.00
H761   H     0.33823   0.46818   0.86602   0.00000  Uiso   1.00
H762   H     0.31561   0.51792   0.83635   0.00000  Uiso   1.00
H763   H     0.30828   0.53149   0.77072   0.00000  Uiso   1.00
H764   H     0.28194   0.47690   0.73807   0.00000  Uiso   1.00
H765   H     0.29681   0.39951   0.76326   0.00000  Uiso   1.00
C766   C     0.05431   0.41555   0.02546   0.00000  Uiso   1.00
C767   C     0.07315   0.44337   0.01646   0.00000  Uiso   1.00
C768   C     0.01936   0.41618   0.02227   0.00000  Uiso   1.00
C769   C     0.05743   0.47172   0.00427   0.00000  Uiso   1.00
C770   C     0.00389   0.44420   0.00802   0.00000  Uiso   1.00
C771   C     0.02304   0.47201  -0.00021   0.00000  Uiso   1.00
O772   O    -0.03031   0.44441   0.00238   0.00000  Uiso   1.00
O773   O     0.00206   0.38839   0.03308   0.00000  Uiso   1.00
O774   O     0.07071   0.38790   0.03744   0.00000  Uiso   1.00
H775   H     0.10054   0.44274   0.01890   0.00000  Uiso   1.00
H776   H     0.07238   0.49380  -0.00252   0.00000  Uiso   1.00
H777   H     0.01103   0.49459  -0.01035   0.00000  Uiso   1.00
H778   H    -0.03342   0.44793  -0.02125   0.00000  Uiso   1.00
H779   H    -0.01935   0.39533   0.04104   0.00000  Uiso   1.00
H780   H     0.05439   0.37033   0.03719   0.00000  Uiso   1.00
C781   C     0.58707   0.27509   0.18269   0.00000  Uiso   1.00
C782   C     0.59247   0.24531   0.16550   0.00000  Uiso   1.00
C783   C     0.61345   0.29797   0.18653   0.00000  Uiso   1.00
C784   C     0.62380   0.23789   0.15276   0.00000  Uiso   1.00
C785   C     0.64509   0.29035   0.17313   0.00000  Uiso   1.00
C786   C     0.64993   0.26028   0.15650   0.00000  Uiso   1.00
O787   O     0.67082   0.31272   0.17708   0.00000  Uiso   1.00
O788   O     0.60751   0.32723   0.20375   0.00000  Uiso   1.00
O789   O     0.55584   0.28062   0.19561   0.00000  Uiso   1.00
H790   H     0.57174   0.22755   0.16204   0.00000  Uiso   1.00
H791   H     0.62787   0.21412   0.13951   0.00000  Uiso   1.00
H792   H     0.67467   0.25361   0.14654   0.00000  Uiso   1.00
H793   H     0.68909   0.30483   0.16409   0.00000  Uiso   1.00
H794   H     0.62885   0.33731   0.20679   0.00000  Uiso   1.00
H795   H     0.55697   0.30135   0.20746   0.00000  Uiso   1.00
C796   C     0.32337   0.87520   0.97040   0.00000  Uiso   1.00
C797   C     0.29687   0.89594   0.96155   0.00000  Uiso   1.00
C798   C     0.33907   0.85548   0.94594   0.00000  Uiso   1.00
C799   C     0.28594   0.89707   0.92873   0.00000  Uiso   1.00
C800   C     0.32767   0.85662   0.91269   0.00000  Uiso   1.00
C801   C     0.30120   0.87750   0.90457   0.00000  Uiso   1.00
O802   O     0.34314   0.83701   0.88915   0.00000  Uiso   1.00
O803   O     0.36545   0.83542   0.95538   0.00000  Uiso   1.00
O804   O     0.33335   0.87480   1.00316   0.00000  Uiso   1.00
H805   H     0.28462   0.91139   0.98071   0.00000  Uiso   1.00
H806   H     0.26498   0.91343   0.92178   0.00000  Uiso   1.00
H807   H     0.29179   0.87888   0.87885   0.00000  Uiso   1.00
H808   H     0.33298   0.84127   0.86795   0.00000  Uiso   1.00
H809   H     0.37224   0.82458   0.93527   0.00000  Uiso   1.00
H810   H     0.35119   0.85906   1.00397   0.00000  Uiso   1.00
C811   C     0.34888   0.14633   0.93309   0.00000  Uiso   1.00
C812   C     0.31615   0.15690   0.93845   0.00000  Uiso   1.00
C813   C     0.37442   0.17005   0.92870   0.00000  Uiso   1.00
C814   C     0.30874   0.19073   0.93964   0.00000  Uiso   1.00
C815   C     0.36669   0.20417   0.93043   0.00000  Uiso   1.00
C816   C     0.33391   0.21429   0.93582   0.00000  Uiso   1.00
O817   O     0.39177   0.22740   0.92598   0.00000  Uiso   1.00
O818   O     0.40646   0.15874   0.92282   0.00000  Uiso   1.00
O819   O     0.35530   0.11265   0.93206   0.00000  Uiso   1.00
H820   H     0.29606   0.13834   0.94141   0.00000  Uiso   1.00
H821   H     0.28270   0.19877   0.94334   0.00000  Uiso   1.00
H822   H     0.32761   0.24106   0.93644   0.00000  Uiso   1.00
H823   H     0.39107   0.24321   0.94388   0.00000  Uiso   1.00
H824   H     0.41996   0.17831   0.92075   0.00000  Uiso   1.00
H825   H     0.37899   0.11143   0.92960   0.00000  Uiso   1.00
C826   C     0.23946   0.74934   0.52141   0.00000  Uiso   1.00
C827   C     0.20799   0.75517   0.50773   0.00000  Uiso   1.00
C828   C     0.26377   0.73243   0.50253   0.00000  Uiso   1.00
C829   C     0.20073   0.74483   0.47549   0.00000  Uiso   1.00
C830   C     0.25617   0.72208   0.46979   0.00000  Uiso   1.00
C831   C     0.22471   0.72846   0.45659   0.00000  Uiso   1.00
O832   O     0.28027   0.70592   0.45159   0.00000  Uiso   1.00
O833   O     0.29462   0.72669   0.51684   0.00000  Uiso   1.00
O834   O     0.24574   0.76035   0.55329   0.00000  Uiso   1.00
H835   H     0.18859   0.76778   0.52254   0.00000  Uiso   1.00
H836   H     0.17579   0.74958   0.46487   0.00000  Uiso   1.00
H837   H     0.21837   0.72045   0.43103   0.00000  Uiso   1.00
H838   H     0.27237   0.70338   0.42931   0.00000  Uiso   1.00
H839   H     0.30687   0.71359   0.50110   0.00000  Uiso   1.00
H840   H     0.26670   0.75044   0.55909   0.00000  Uiso   1.00
C841   C     0.59562   0.10638   0.13249   0.00000  Uiso   1.00
C842   C     0.62064   0.12298   0.15003   0.00000  Uiso   1.00
C843   C     0.56203   0.11572   0.13684   0.00000  Uiso   1.00
C844   C     0.61257   0.14809   0.17241   0.00000  Uiso   1.00
C845   C     0.55402   0.14088   0.16007   0.00000  Uiso   1.00
C846   C     0.57943   0.15673   0.17760   0.00000  Uiso   1.00
O847   O     0.52108   0.14913   0.16506   0.00000  Uiso   1.00
O848   O     0.53776   0.09948   0.11848   0.00000  Uiso   1.00
O849   O     0.60492   0.08084   0.11156   0.00000  Uiso   1.00
H850   H     0.64690   0.11595   0.14613   0.00000  Uiso   1.00
H851   H     0.63247   0.16096   0.18637   0.00000  Uiso   1.00
H852   H     0.57353   0.17657   0.19565   0.00000  Uiso   1.00
H853   H     0.51955   0.16149   0.18551   0.00000  Uiso   1.00
H854   H     0.51707   0.10493   0.12900   0.00000  Uiso   1.00
H855   H     0.58496   0.06822   0.10816   0.00000  Uiso   1.00
C856   C     0.67793   0.88605   0.75927   0.00000  Uiso   1.00
C857   C     0.66264   0.85493   0.75579   0.00000  Uiso   1.00
C858   C     0.70637   0.88905   0.77965   0.00000  Uiso   1.00
C859   C     0.67435   0.82729   0.77296   0.00000  Uiso   1.00
C860   C     0.71812   0.86077   0.79694   0.00000  Uiso   1.00
C861   C     0.70167   0.83042   0.79396   0.00000  Uiso   1.00
O862   O     0.74605   0.86367   0.81669   0.00000  Uiso   1.00
O863   O     0.72249   0.91938   0.78251   0.00000  Uiso   1.00
O864   O     0.66381   0.91184   0.74195   0.00000  Uiso   1.00
H865   H     0.64076   0.85249   0.73937   0.00000  Uiso   1.00
H866   H     0.66177   0.80300   0.77015   0.00000  Uiso   1.00
H867   H     0.71030   0.80868   0.80841   0.00000  Uiso   1.00
H868   H     0.75542   0.84170   0.81920   0.00000  Uiso   1.00
H869   H     0.73982   0.91499   0.79833   0.00000  Uiso   1.00
H870   H     0.67620   0.93180   0.74577   0.00000  Uiso   1.00
C871   C     0.13714   0.37694   0.94453   0.00000  Uiso   1.00
C872   C     0.10237   0.37846   0.94534   0.00000  Uiso   1.00
C873   C     0.15349   0.36522   0.91575   0.00000  Uiso   1.00
C874   C     0.08383   0.36844   0.91788   0.00000  Uiso   1.00
C875   C     0.13445   0.35446   0.88832   0.00000  Uiso   1.00
C876   C     0.09979   0.35645   0.88954   0.00000  Uiso   1.00
O877   O     0.15065   0.34212   0.86059   0.00000  Uiso   1.00
O878   O     0.18801   0.36445   0.91550   0.00000  Uiso   1.00
O879   O     0.15442   0.38720   0.97226   0.00000  Uiso   1.00
H880   H     0.08969   0.38797   0.96781   0.00000  Uiso   1.00
H881   H     0.05640   0.37018   0.91868   0.00000  Uiso   1.00
H882   H     0.08465   0.34897   0.86787   0.00000  Uiso   1.00
H883   H     0.13689   0.32522   0.85100   0.00000  Uiso   1.00
H884   H     0.19424   0.36118   0.89270   0.00000  Uiso   1.00
H885   H     0.17736   0.38523   0.96619   0.00000  Uiso   1.00
C886   C     0.79577   0.23414   0.09473   0.00000  Uiso   1.00
C887   C     0.78660   0.26740   0.09916   0.00000  Uiso   1.00
C888   C     0.77101   0.20964   0.09038   0.00000  Uiso   1.00
C889   C     0.75320   0.27654   0.09874   0.00000  Uiso   1.00
C890   C     0.73712   0.21907   0.09037   0.00000  Uiso   1.00
C891   C     0.72861   0.25251   0.09430   0.00000  Uiso   1.00
O892   O     0.71325   0.19476   0.08631   0.00000  Uiso   1.00
O893   O     0.78091   0.17689   0.08599   0.00000  Uiso   1.00
O894   O     0.82916   0.22642   0.09435   0.00000  Uiso   1.00
H895   H     0.80615   0.28642   0.10267   0.00000  Uiso   1.00
H896   H     0.74643   0.30304   0.10171   0.00000  Uiso   1.00
H897   H     0.70229   0.26036   0.09378   0.00000  Uiso   1.00
H898   H     0.69220   0.20532   0.08352   0.00000  Uiso   1.00
H899   H     0.76123   0.16495   0.07988   0.00000  Uiso   1.00
H900   H     0.82998   0.20332   0.08859   0.00000  Uiso   1.00
C901   C     0.34343   0.71494   0.83292   0.00000  Uiso   1.00
C902   C     0.36725   0.74017   0.83004   0.00000  Uiso   1.00
C903   C     0.35275   0.68148   0.82763   0.00000  Uiso   1.00
C904   C     0.40003   0.73244   0.82209   0.00000  Uiso   1.00
C905   C     0.38617   0.67388   0.81973   0.00000  Uiso   1.00
C906   C     0.40943   0.69947   0.81703   0.00000  Uiso   1.00
O907   O     0.39491   0.64108   0.81482   0.00000  Uiso   1.00
O908   O     0.32879   0.65683   0.83028   0.00000  Uiso   1.00
O909   O     0.31147   0.72418   0.84094   0.00000  Uiso   1.00
H910   H     0.35989   0.76638   0.83401   0.00000  Uiso   1.00
H911   H     0.41853   0.75263   0.81972   0.00000  Uiso   1.00
H912   H     0.43556   0.69376   0.81072   0.00000  Uiso   1.00
H913   H     0.41772   0.64036   0.80824   0.00000  Uiso   1.00
H914   H     0.33989   0.63663   0.82416   0.00000  Uiso   1.00
H915   H     0.29913   0.70397   0.84370   0.00000  Uiso   1.00
C916   C     0.51476   0.32576   0.25996   0.00000  Uiso   1.00
C917   C     0.49529   0.29967   0.24761   0.00000  Uiso   1.00
C918   C     0.51994   0.32867   0.29458   0.00000  Uiso   1.00
C919   C     0.48126   0.27651   0.26920   0.00000  Uiso   1.00
C920   C     0.50615   0.30463   0.31620   0.00000  Uiso   1.00
C921   C     0.48675   0.27889   0.30334   0.00000  Uiso   1.00
O922   O     0.51251   0.30714   0.34986   0.00000  Uiso   1.00
O923   O     0.53903   0.35479   0.30661   0.00000  Uiso   1.00
O924   O     0.52829   0.34775   0.23743   0.00000  Uiso   1.00
H925   H     0.49100   0.29750   0.22050   0.00000  Uiso   1.00
H926   H     0.46587   0.25610   0.25904   0.00000  Uiso   1.00
H927   H     0.47544   0.26021   0.32008   0.00000  Uiso   1.00
H928   H     0.50858   0.28587   0.35962   0.00000  Uiso   1.00
H929   H     0.54007   0.35129   0.33017   0.00000  Uiso   1.00
H930   H     0.53868   0.36472   0.25053   0.00000  Uiso   1.00
C931   C     0.34646   0.49514   0.11914   0.00000  Uiso   1.00
C932   C     0.34495   0.46047   0.12274   0.00000  Uiso   1.00
C933   C     0.34312   0.50912   0.08719   0.00000  Uiso   1.00
C934   C     0.33942   0.43983   0.09554   0.00000  Uiso   1.00
C935   C     0.33863   0.48779   0.05953   0.00000  Uiso   1.00
C936   C     0.33664   0.45338   0.06394   0.00000  Uiso   1.00
O937   O     0.33591   0.49969   0.02747   0.00000  Uiso   1.00
O938   O     0.34398   0.54286   0.08054   0.00000  Uiso   1.00
O939   O     0.35098   0.51310   0.14798   0.00000  Uiso   1.00
H940   H     0.34759   0.44942   0.14776   0.00000  Uiso   1.00
H941   H     0.33695   0.41276   0.09891   0.00000  Uiso   1.00
H942   H     0.33253   0.43700   0.04230   0.00000  Uiso   1.00
H943   H     0.33564   0.52345   0.02931   0.00000  Uiso   1.00
H944   H     0.35354   0.55477   0.09882   0.00000  Uiso   1.00
H945   H     0.35428   0.53605   0.14246   0.00000  Uiso   1.00
C946   C     0.30756   0.75002   0.18035   0.00000  Uiso   1.00
C947   C     0.27480   0.75778   0.17142   0.00000  Uiso   1.00
C948   C     0.31357   0.72993   0.20846   0.00000  Uiso   1.00
C949   C     0.24815   0.74636   0.19033   0.00000  Uiso   1.00
C950   C     0.28645   0.71702   0.22643   0.00000  Uiso   1.00
C951   C     0.25402   0.72604   0.21776   0.00000  Uiso   1.00
O952   O     0.29056   0.69575   0.25322   0.00000  Uiso   1.00
O953   O     0.34626   0.72343   0.21786   0.00000  Uiso   1.00
O954   O     0.33295   0.76288   0.16121   0.00000  Uiso   1.00
H955   H     0.27011   0.77358   0.14949   0.00000  Uiso   1.00
H956   H     0.22244   0.75339   0.18349   0.00000  Uiso   1.00
H957   H     0.23291   0.71702   0.23286   0.00000  Uiso   1.00
H958   H     0.30698   0.67931   0.24728   0.00000  Uiso   1.00
H959   H     0.34586   0.72259   0.24164   0.00000  Uiso   1.00
H960   H     0.35292   0.75795   0.17320   0.00000  Uiso   1.00
C961   C     0.34538   0.24896   0.42360   0.00000  Uiso   1.00
C962   C     0.33230   0.26428   0.39527   0.00000  Uiso   1.00
C963   C     0.33513   0.21649   0.43189   0.00000  Uiso   1.00
C964   C     0.30953   0.24760   0.37514   0.00000  Uiso   1.00
C965   C     0.31227   0.19958   0.41120   0.00000  Uiso   1.00
C966   C     0.29944   0.21539   0.38312   0.00000  Uiso   1.00
O967   O     0.30375   0.16753   0.41965   0.00000  Uiso   1.00
O968   O     0.34808   0.20139   0.46006   0.00000  Uiso   1.00
O969   O     0.36830   0.26625   0.44226   0.00000  Uiso   1.00
H970   H     0.34083   0.28957   0.38868   0.00000  Uiso   1.00
H971   H     0.30010   0.25977   0.35227   0.00000  Uiso   1.00
H972   H     0.28152   0.20242   0.36673   0.00000  Uiso   1.00
H973   H     0.28924   0.15859   0.40294   0.00000  Uiso   1.00
H974   H     0.33817   0.17965   0.46000   0.00000  Uiso   1.00
H975   H     0.37713   0.25043   0.45773   0.00000  Uiso   1.00
C976   C     0.73015   0.15649   0.32598   0.00000  Uiso   1.00
C977   C     0.72498   0.13329   0.35142   0.00000  Uiso   1.00
C978   C     0.70442   0.17858   0.31704   0.00000  Uiso   1.00
C979   C     0.69462   0.13222   0.36810   0.00000  Uiso   1.00
C980   C     0.67344   0.17626   0.33310   0.00000  Uiso   1.00
C981   C     0.66875   0.15320   0.35863   0.00000  Uiso   1.00
O982   O     0.64815   0.19760   0.32336   0.00000  Uiso   1.00
O983   O     0.71020   0.20237   0.29271   0.00000  Uiso   1.00
O984   O     0.76081   0.15749   0.31075   0.00000  Uiso   1.00
H985   H     0.74566   0.11683   0.35901   0.00000  Uiso   1.00
H986   H     0.69091   0.11521   0.38932   0.00000  Uiso   1.00
H987   H     0.64466   0.15153   0.37175   0.00000  Uiso   1.00
H988   H     0.63837   0.20621   0.34348   0.00000  Uiso   1.00
H989   H     0.69125   0.21680   0.29400   0.00000  Uiso   1.00
H990   H     0.76102   0.17851   0.29948   0.00000  Uiso   1.00
C991   C     0.18665   0.30869   0.44321   0.00000  Uiso   1.00
C992   C     0.19339   0.28394   0.46672   0.00000  Uiso   1.00
C993   C     0.21087   0.31690   0.41917   0.00000  Uiso   1.00
C994   C     0.22376   0.26732   0.46644   0.00000  Uiso   1.00
C995   C     0.24171   0.29991   0.41919   0.00000  Uiso   1.00
C996   C     0.24785   0.27531   0.44286   0.00000  Uiso   1.00
O997   O     0.26516   0.30842   0.39568   0.00000  Uiso   1.00
O998   O     0.20394   0.34170   0.39622   0.00000  Uiso   1.00
O999   O     0.15618   0.32421   0.44472   0.00000  Uiso   1.00
H1000  H     0.17440   0.27787   0.48564   0.00000  Uiso   1.00
H1001  H     0.22879   0.24770   0.48495   0.00000  Uiso   1.00
H1002  H     0.27194   0.26199   0.44324   0.00000  Uiso   1.00
H1003  H     0.28391   0.29396   0.39831   0.00000  Uiso   1.00
H1004  H     0.22394   0.34387   0.38347   0.00000  Uiso   1.00
H1005  H     0.15570   0.33951   0.42646   0.00000  Uiso   1.00
C1006  C    -0.00165   0.30680   0.26191   0.00000  Uiso   1.00
C1007  C     0.02221   0.32316   0.24256   0.00000  Uiso   1.00
C1008  C    -0.01787   0.32403   0.28788   0.00000  Uiso   1.00
C1009  C     0.03007   0.35627   0.24886   0.00000  Uiso   1.00
C1010  C    -0.00961   0.35764   0.29416   0.00000  Uiso   1.00
C1011  C     0.01434   0.37339   0.27456   0.00000  Uiso   1.00
O1012  O    -0.02534   0.37419   0.31985   0.00000  Uiso   1.00
O1013  O    -0.04151   0.30723   0.30651   0.00000  Uiso   1.00
O1014  O    -0.00851   0.27404   0.25464   0.00000  Uiso   1.00
H1015  H     0.03482   0.30959   0.22220   0.00000  Uiso   1.00
H1016  H     0.04897   0.36887   0.23338   0.00000  Uiso   1.00
H1017  H     0.02131   0.39956   0.27931   0.00000  Uiso   1.00
H1018  H    -0.02093   0.39735   0.31714   0.00000  Uiso   1.00
H1019  H    -0.05036   0.32322   0.32173   0.00000  Uiso   1.00
H1020  H    -0.02643   0.26790   0.26913   0.00000  Uiso   1.00
C1021  C     0.91159   0.17816   0.67987   0.00000  Uiso   1.00
C1022  C     0.93560   0.17012   0.70374   0.00000  Uiso   1.00
C1023  C     0.91482   0.20755   0.66092   0.00000  Uiso   1.00
C1024  C     0.96323   0.19053   0.70811   0.00000  Uiso   1.00
C1025  C     0.94245   0.22857   0.66620   0.00000  Uiso   1.00
C1026  C     0.96673   0.21936   0.68919   0.00000  Uiso   1.00
O1027  O     0.94498   0.25775   0.64825   0.00000  Uiso   1.00
O1028  O     0.89058   0.21496   0.63758   0.00000  Uiso   1.00
O1029  O     0.88516   0.15681   0.67560   0.00000  Uiso   1.00
H1030  H     0.93265   0.14734   0.71885   0.00000  Uiso   1.00
H1031  H     0.98239   0.18381   0.72663   0.00000  Uiso   1.00
H1032  H     0.98908   0.23496   0.69244   0.00000  Uiso   1.00
H1033  H     0.96121   0.27143   0.65905   0.00000  Uiso   1.00
H1034  H     0.89773   0.23540   0.62765   0.00000  Uiso   1.00
H1035  H     0.87295   0.16605   0.65732   0.00000  Uiso   1.00
C1036  C     0.28600   0.35113   0.16083   0.00000  Uiso   1.00
C1037  C     0.31290   0.37232   0.16709   0.00000  Uiso   1.00
C1038  C     0.28811   0.32745   0.13497   0.00000  Uiso   1.00
C1039  C     0.34185   0.36976   0.14827   0.00000  Uiso   1.00
C1040  C     0.31729   0.32563   0.11544   0.00000  Uiso   1.00
C1041  C     0.34393   0.34676   0.12240   0.00000  Uiso   1.00
O1042  O     0.31859   0.30263   0.09000   0.00000  Uiso   1.00
O1043  O     0.26128   0.30652   0.12933   0.00000  Uiso   1.00
O1044  O     0.25824   0.35403   0.18068   0.00000  Uiso   1.00
H1045  H     0.31096   0.39121   0.18701   0.00000  Uiso   1.00
H1046  H     0.36300   0.38653   0.15356   0.00000  Uiso   1.00
H1047  H     0.36693   0.34551   0.10738   0.00000  Uiso   1.00
H1048  H     0.33703   0.30786   0.07593   0.00000  Uiso   1.00
H1049  H     0.26844   0.29193   0.11189   0.00000  Uiso   1.00
H1050  H     0.24335   0.33704   0.17314   0.00000  Uiso   1.00
C1051  C     0.15812   0.84948   0.84726   0.00000  Uiso   1.00
C1052  C     0.17773   0.82179   0.85497   0.00000  Uiso   1.00
C1053  C     0.12495   0.84513   0.83643   0.00000  Uiso   1.00
C1054  C     0.16461   0.78990   0.85206   0.00000  Uiso   1.00
C1055  C     0.11208   0.81259   0.83305   0.00000  Uiso   1.00
C1056  C     0.13206   0.78538   0.84106   0.00000  Uiso   1.00
O1057  O     0.07995   0.80821   0.82181   0.00000  Uiso   1.00
O1058  O     0.10632   0.87324   0.82925   0.00000  Uiso   1.00
O1059  O     0.17209   0.88058   0.85067   0.00000  Uiso   1.00
H1060  H     0.20361   0.82521   0.86364   0.00000  Uiso   1.00
H1061  H     0.18011   0.76804   0.85835   0.00000  Uiso   1.00
H1062  H     0.12232   0.75974   0.83863   0.00000  Uiso   1.00
H1063  H     0.07695   0.78484   0.81860   0.00000  Uiso   1.00
H1064  H     0.08453   0.86561   0.82329   0.00000  Uiso   1.00
H1065  H     0.15421   0.89579   0.84645   0.00000  Uiso   1.00
C1066  C     0.96725   0.43338   0.91587   0.00000  Uiso   1.00
C1067  C     0.99885   0.44778   0.91357   0.00000  Uiso   1.00
C1068  C     0.95890   0.40636   0.89503   0.00000  Uiso   1.00
C1069  C     1.02214   0.43520   0.89122   0.00000  Uiso   1.00
C1070  C     0.98255   0.39419   0.87207   0.00000  Uiso   1.00
C1071  C     1.01409   0.40856   0.87057   0.00000  Uiso   1.00
O1072  O     0.97365   0.36823   0.85145   0.00000  Uiso   1.00
O1073  O     0.92734   0.39265   0.89743   0.00000  Uiso   1.00
O1074  O     0.94484   0.44634   0.93845   0.00000  Uiso   1.00
H1075  H     1.00550   0.46937   0.92923   0.00000  Uiso   1.00
H1076  H     1.04721   0.44651   0.88975   0.00000  Uiso   1.00
H1077  H     1.03312   0.39910   0.85309   0.00000  Uiso   1.00
H1078  H     0.98833   0.36831   0.83283   0.00000  Uiso   1.00
H1079  H     0.92675   0.37546   0.88089   0.00000  Uiso   1.00
H1080  H     0.92399   0.43643   0.93212   0.00000  Uiso   1.00
C1081  C     0.02857   0.56190   0.47329   0.00000  Uiso   1.00
C1082  C     0.01120   0.53882   0.45379   0.00000  Uiso   1.00
C1083  C     0.01498   0.59367   0.47899   0.00000  Uiso   1.00
C1084  C    -0.01988   0.54678   0.44076   0.00000  Uiso   1.00
C1085  C    -0.01610   0.60174   0.46501   0.00000  Uiso   1.00
C1086  C    -0.03359   0.57804   0.44664   0.00000  Uiso   1.00
O1087  O    -0.03027   0.63305   0.46865   0.00000  Uiso   1.00
O1088  O     0.03297   0.61639   0.49793   0.00000  Uiso   1.00
O1089  O     0.05871   0.55209   0.48613   0.00000  Uiso   1.00
H1090  H     0.02238   0.51415   0.44893   0.00000  Uiso   1.00
H1091  H    -0.03353   0.52842   0.42558   0.00000  Uiso   1.00
H1092  H    -0.05831   0.58441   0.43636   0.00000  Uiso   1.00
H1093  H    -0.01435   0.64886   0.46004   0.00000  Uiso   1.00
H1094  H     0.01773   0.62647   0.51324   0.00000  Uiso   1.00
H1095  H     0.06572   0.56893   0.50174   0.00000  Uiso   1.00
C1096  C     0.62428   0.40023   0.95125   0.00000  Uiso   1.00
C1097  C     0.62312   0.41163   0.98406   0.00000  Uiso   1.00
C1098  C     0.64655   0.37465   0.94187   0.00000  Uiso   1.00
C1099  C     0.64336   0.39719   1.00808   0.00000  Uiso   1.00
C1100  C     0.66608   0.35925   0.96655   0.00000  Uiso   1.00
C1101  C     0.66406   0.37079   0.99950   0.00000  Uiso   1.00
O1102  O     0.68779   0.33335   0.96122   0.00000  Uiso   1.00
O1103  O     0.64699   0.36655   0.90841   0.00000  Uiso   1.00
O1104  O     0.60324   0.41471   0.92835   0.00000  Uiso   1.00
H1105  H     0.60618   0.43223   0.99066   0.00000  Uiso   1.00
H1106  H     0.64277   0.40656   1.03389   0.00000  Uiso   1.00
H1107  H     0.67973   0.35903   1.01889   0.00000  Uiso   1.00
H1108  H     0.68814   0.32728   0.93817   0.00000  Uiso   1.00
H1109  H     0.66569   0.35251   0.90359   0.00000  Uiso   1.00
H1110  H     0.60651   0.40194   0.90846   0.00000  Uiso   1.00
C1111  C     0.44150   0.32638   0.64367   0.00000  Uiso   1.00
C1112  C     0.46335   0.35347   0.64364   0.00000  Uiso   1.00
C1113  C     0.40694   0.33197   0.64172   0.00000  Uiso   1.00
C1114  C     0.45114   0.38585   0.64314   0.00000  Uiso   1.00
C1115  C     0.39473   0.36495   0.64062   0.00000  Uiso   1.00
C1116  C     0.41699   0.39148   0.64218   0.00000  Uiso   1.00
O1117  O     0.36096   0.37040   0.63819   0.00000  Uiso   1.00
O1118  O     0.38573   0.30463   0.64089   0.00000  Uiso   1.00
O1119  O     0.45494   0.29487   0.64530   0.00000  Uiso   1.00
H1120  H     0.49043   0.34908   0.64438   0.00000  Uiso   1.00
H1121  H     0.46856   0.40712   0.64374   0.00000  Uiso   1.00
H1122  H     0.40765   0.41733   0.64270   0.00000  Uiso   1.00
H1123  H     0.35765   0.39264   0.63063   0.00000  Uiso   1.00
H1124  H     0.36708   0.31126   0.62712   0.00000  Uiso   1.00
H1125  H     0.43627   0.28023   0.64687   0.00000  Uiso   1.00
C1126  C     0.88200   0.33613   0.05411   0.00000  Uiso   1.00
C1127  C     0.89470   0.31810   0.02715   0.00000  Uiso   1.00
C1128  C     0.89589   0.36740   0.06205   0.00000  Uiso   1.00
C1129  C     0.91945   0.33144   0.00702   0.00000  Uiso   1.00
C1130  C     0.92161   0.38040   0.04191   0.00000  Uiso   1.00
C1131  C     0.93258   0.36266   0.01413   0.00000  Uiso   1.00
O1132  O     0.93597   0.41062   0.05027   0.00000  Uiso   1.00
O1133  O     0.88410   0.38455   0.08961   0.00000  Uiso   1.00
O1134  O     0.85655   0.32158   0.07176   0.00000  Uiso   1.00
H1135  H     0.88473   0.29309   0.02160   0.00000  Uiso   1.00
H1136  H     0.92859   0.31717  -0.01465   0.00000  Uiso   1.00
H1137  H     0.95217   0.37272  -0.00235   0.00000  Uiso   1.00
H1138  H     0.93990   0.42310   0.03019   0.00000  Uiso   1.00
H1139  H     0.90185   0.39887   0.09646   0.00000  Uiso   1.00
H1140  H     0.85062   0.33620   0.08978   0.00000  Uiso   1.00
C1141  C     0.60958   0.82497   0.29161   0.00000  Uiso   1.00
C1142  C     0.61695   0.80902   0.26160   0.00000  Uiso   1.00
C1143  C     0.60434   0.85966   0.29206   0.00000  Uiso   1.00
C1144  C     0.61924   0.82733   0.23226   0.00000  Uiso   1.00
C1145  C     0.60744   0.87814   0.26235   0.00000  Uiso   1.00
C1146  C     0.61469   0.86172   0.23264   0.00000  Uiso   1.00
O1147  O     0.60303   0.91208   0.26389   0.00000  Uiso   1.00
O1148  O     0.59646   0.87484   0.32202   0.00000  Uiso   1.00
O1149  O     0.60765   0.80626   0.32028   0.00000  Uiso   1.00
H1150  H     0.62066   0.78178   0.26125   0.00000  Uiso   1.00
H1151  H     0.62465   0.81445   0.20856   0.00000  Uiso   1.00
H1152  H     0.61676   0.87589   0.20912   0.00000  Uiso   1.00
H1153  H     0.60967   0.92166   0.24292   0.00000  Uiso   1.00
H1154  H     0.59231   0.89770   0.31634   0.00000  Uiso   1.00
H1155  H     0.60419   0.82258   0.33729   0.00000  Uiso   1.00
C1156  C     0.53052   0.61992   0.41086   0.00000  Uiso   1.00
C1157  C     0.52120   0.65329   0.41425   0.00000  Uiso   1.00
C1158  C     0.52943   0.59850   0.43872   0.00000  Uiso   1.00
C1159  C     0.51068   0.66534   0.44497   0.00000  Uiso   1.00
C1160  C     0.51848   0.61096   0.46974   0.00000  Uiso   1.00
C1161  C     0.50929   0.64431   0.47251   0.00000  Uiso   1.00
O1162  O     0.51690   0.58958   0.49648   0.00000  Uiso   1.00
O1163  O     0.53870   0.56552   0.43451   0.00000  Uiso   1.00
O1164  O     0.54041   0.60877   0.37995   0.00000  Uiso   1.00
H1165  H     0.52214   0.67010   0.39250   0.00000  Uiso   1.00
H1166  H     0.50301   0.69164   0.44755   0.00000  Uiso   1.00
H1167  H     0.50034   0.65434   0.49656   0.00000  Uiso   1.00
H1168  H     0.50633   0.60087   0.51461   0.00000  Uiso   1.00
H1169  H     0.53578   0.55510   0.45583   0.00000  Uiso   1.00
H1170  H     0.54662   0.58603   0.38382   0.00000  Uiso   1.00
C1171  C     0.74039   0.77765   0.52787   0.00000  Uiso   1.00
C1172  C     0.76509   0.76246   0.54702   0.00000  Uiso   1.00
C1173  C     0.74130   0.77468   0.49290   0.00000  Uiso   1.00
C1174  C     0.79060   0.74478   0.53173   0.00000  Uiso   1.00
C1175  C     0.76788   0.75752   0.47755   0.00000  Uiso   1.00
C1176  C     0.79228   0.74266   0.49720   0.00000  Uiso   1.00
O1177  O     0.76887   0.75576   0.44329   0.00000  Uiso   1.00
O1178  O     0.71602   0.78891   0.47440   0.00000  Uiso   1.00
O1179  O     0.71578   0.79515   0.54416   0.00000  Uiso   1.00
H1180  H     0.76427   0.76458   0.57439   0.00000  Uiso   1.00
H1181  H     0.81009   0.73288   0.54698   0.00000  Uiso   1.00
H1182  H     0.81334   0.72908   0.48581   0.00000  Uiso   1.00
H1183  H     0.78975   0.74617   0.43720   0.00000  Uiso   1.00
H1184  H     0.72265   0.78587   0.45171   0.00000  Uiso   1.00
H1185  H     0.70618   0.80930   0.52758   0.00000  Uiso   1.00
C1186  C     0.22898   0.11888   0.35712   0.00000  Uiso   1.00
C1187  C     0.23438   0.09166   0.33605   0.00000  Uiso   1.00
C1188  C     0.24506   0.12019   0.38835   0.00000  Uiso   1.00
C1189  C     0.25564   0.06606   0.34550   0.00000  Uiso   1.00
C1190  C     0.26695   0.09421   0.39748   0.00000  Uiso   1.00
C1191  C     0.27187   0.06738   0.37603   0.00000  Uiso   1.00
O1192  O     0.28353   0.09581   0.42754   0.00000  Uiso   1.00
O1193  O     0.23927   0.14714   0.40914   0.00000  Uiso   1.00
O1194  O     0.20786   0.14326   0.34576   0.00000  Uiso   1.00
H1195  H     0.22164   0.09068   0.31168   0.00000  Uiso   1.00
H1196  H     0.25999   0.04480   0.32863   0.00000  Uiso   1.00
H1197  H     0.28912   0.04709   0.38296   0.00000  Uiso   1.00
H1198  H     0.30300   0.08193   0.42553   0.00000  Uiso   1.00
H1199  H     0.24766   0.14060   0.43053   0.00000  Uiso   1.00
H1200  H     0.20723   0.16050   0.36206   0.00000  Uiso   1.00
C1201  C     0.85131   0.67343   0.40231   0.00000  Uiso   1.00
C1202  C     0.84254   0.70599   0.39364   0.00000  Uiso   1.00
C1203  C     0.83633   0.64640   0.38562   0.00000  Uiso   1.00
C1204  C     0.81943   0.71197   0.36858   0.00000  Uiso   1.00
C1205  C     0.81260   0.65275   0.36041   0.00000  Uiso   1.00
C1206  C     0.80451   0.68544   0.35211   0.00000  Uiso   1.00
O1207  O     0.79813   0.62619   0.34423   0.00000  Uiso   1.00
O1208  O     0.84548   0.61417   0.39395   0.00000  Uiso   1.00
O1209  O     0.87484   0.66935   0.42684   0.00000  Uiso   1.00
H1210  H     0.85467   0.72711   0.40634   0.00000  Uiso   1.00
H1211  H     0.81307   0.73781   0.36157   0.00000  Uiso   1.00
H1212  H     0.78632   0.69059   0.33216   0.00000  Uiso   1.00
H1213  H     0.78867   0.63382   0.32356   0.00000  Uiso   1.00
H1214  H     0.83410   0.60053   0.37801   0.00000  Uiso   1.00
H1215  H     0.87853   0.64592   0.42837   0.00000  Uiso   1.00
C1216  C     0.16702   0.99417   0.28598   0.00000  Uiso   1.00
C1217  C     0.14258   0.98199   0.26438   0.00000  Uiso   1.00
C1218  C     0.20011   0.98279   0.28294   0.00000  Uiso   1.00
C1219  C     0.15087   0.95893   0.23992   0.00000  Uiso   1.00
C1220  C     0.20834   0.95974   0.25775   0.00000  Uiso   1.00
C1221  C     0.18362   0.94813   0.23641   0.00000  Uiso   1.00
O1222  O     0.24094   0.94924   0.25516   0.00000  Uiso   1.00
O1223  O     0.22418   0.99457   0.30468   0.00000  Uiso   1.00
O1224  O     0.15771   1.01706   0.30972   0.00000  Uiso   1.00
H1225  H     0.11660   0.99066   0.26683   0.00000  Uiso   1.00
H1226  H     0.13132   0.94905   0.22330   0.00000  Uiso   1.00
H1227  H     0.18982   0.92987   0.21685   0.00000  Uiso   1.00
H1228  H     0.24469   0.94105   0.23293   0.00000  Uiso   1.00
H1229  H     0.24379   0.98242   0.29837   0.00000  Uiso   1.00
H1230  H     0.17803   1.02325   0.32047   0.00000  Uiso   1.00
C1231  C     0.49060   0.91692   0.94933   0.00000  Uiso   1.00
C1232  C     0.49075   0.93220   0.91804   0.00000  Uiso   1.00
C1233  C     0.50870   0.93128   0.97578   0.00000  Uiso   1.00
C1234  C     0.50813   0.96174   0.91303   0.00000  Uiso   1.00
C1235  C     0.52716   0.96060   0.97010   0.00000  Uiso   1.00
C1236  C     0.52618   0.97593   0.93899   0.00000  Uiso   1.00
O1237  O     0.54585   0.97353   0.99579   0.00000  Uiso   1.00
O1238  O     0.50818   0.91600   1.00671   0.00000  Uiso   1.00
O1239  O     0.47273   0.88793   0.95292   0.00000  Uiso   1.00
H1240  H     0.47662   0.92075   0.89738   0.00000  Uiso   1.00
H1241  H     0.50753   0.97384   0.88838   0.00000  Uiso   1.00
H1242  H     0.53949   0.99960   0.93483   0.00000  Uiso   1.00
H1243  H     0.56289   0.98717   0.98647   0.00000  Uiso   1.00
H1244  H     0.51920   0.93119   1.02142   0.00000  Uiso   1.00
H1245  H     0.47628   0.88085   0.97537   0.00000  Uiso   1.00
C1246  C     0.33141   1.02472   0.66870   0.00000  Uiso   1.00
C1247  C     0.33796   1.02171   0.70273   0.00000  Uiso   1.00
C1248  C     0.29962   1.01636   0.65637   0.00000  Uiso   1.00
C1249  C     0.31333   1.01080   0.72448   0.00000  Uiso   1.00
C1250  C     0.27479   1.00525   0.67866   0.00000  Uiso   1.00
C1251  C     0.28186   1.00263   0.71251   0.00000  Uiso   1.00
O1252  O     0.24404   0.99724   0.66599   0.00000  Uiso   1.00
O1253  O     0.29352   1.01912   0.62253   0.00000  Uiso   1.00
O1254  O     0.35652   1.03609   0.64829   0.00000  Uiso   1.00
H1255  H     0.36286   1.02798   0.71242   0.00000  Uiso   1.00
H1256  H     0.31887   1.00834   0.75131   0.00000  Uiso   1.00
H1257  H     0.26266   0.99398   0.73019   0.00000  Uiso   1.00
H1258  H     0.23128   0.98622   0.68288   0.00000  Uiso   1.00
H1259  H     0.27107   1.01153   0.61962   0.00000  Uiso   1.00
H1260  H     0.34566   1.04160   0.62776   0.00000  Uiso   1.00
C1261  C     0.38948   0.82901   0.74097   0.00000  Uiso   1.00
C1262  C     0.38561   0.79574   0.73158   0.00000  Uiso   1.00
C1263  C     0.40277   0.85207   0.71810   0.00000  Uiso   1.00
C1264  C     0.39401   0.78576   0.69944   0.00000  Uiso   1.00
C1265  C     0.41071   0.84188   0.68540   0.00000  Uiso   1.00
C1266  C     0.40614   0.80869   0.67638   0.00000  Uiso   1.00
O1267  O     0.42293   0.86529   0.66350   0.00000  Uiso   1.00
O1268  O     0.40777   0.88448   0.72871   0.00000  Uiso   1.00
O1269  O     0.38050   0.83883   0.77268   0.00000  Uiso   1.00
H1270  H     0.37606   0.77735   0.74966   0.00000  Uiso   1.00
H1271  H     0.39086   0.75943   0.69215   0.00000  Uiso   1.00
H1272  H     0.41238   0.80029   0.65092   0.00000  Uiso   1.00
H1273  H     0.43193   0.85424   0.64423   0.00000  Uiso   1.00
H1274  H     0.42070   0.89472   0.71151   0.00000  Uiso   1.00
H1275  H     0.38626   0.86209   0.77263   0.00000  Uiso   1.00
C1276  C     0.53200   0.83061   0.69652   0.00000  Uiso   1.00
C1277  C     0.50696   0.85068   0.68298   0.00000  Uiso   1.00
C1278  C     0.56541   0.84064   0.69394   0.00000  Uiso   1.00
C1279  C     0.51485   0.88016   0.66661   0.00000  Uiso   1.00
C1280  C     0.57343   0.86981   0.67634   0.00000  Uiso   1.00
C1281  C     0.54799   0.88944   0.66282   0.00000  Uiso   1.00
O1282  O     0.60572   0.88035   0.67203   0.00000  Uiso   1.00
O1283  O     0.59087   0.82189   0.70867   0.00000  Uiso   1.00
O1284  O     0.52225   0.80183   0.71241   0.00000  Uiso   1.00
H1285  H     0.48070   0.84314   0.68591   0.00000  Uiso   1.00
H1286  H     0.49487   0.89615   0.65655   0.00000  Uiso   1.00
H1287  H     0.55422   0.91292   0.64993   0.00000  Uiso   1.00
H1288  H     0.61927   0.86538   0.68458   0.00000  Uiso   1.00
H1289  H     0.58799   0.82427   0.73243   0.00000  Uiso   1.00
H1290  H     0.54105   0.79385   0.72449   0.00000  Uiso   1.00
C1291  C     0.34941   0.63926   0.09158   0.00000  Uiso   1.00
C1292  C     0.32165   0.64720   0.07211   0.00000  Uiso   1.00
C1293  C     0.38165   0.64734   0.08013   0.00000  Uiso   1.00
C1294  C     0.32570   0.66189   0.04103   0.00000  Uiso   1.00
C1295  C     0.38536   0.66270   0.04870   0.00000  Uiso   1.00
C1296  C     0.35740   0.66938   0.02928   0.00000  Uiso   1.00
O1297  O     0.41682   0.67085   0.03764   0.00000  Uiso   1.00
O1298  O     0.40877   0.64015   0.10017   0.00000  Uiso   1.00
O1299  O     0.34384   0.62377   0.12163   0.00000  Uiso   1.00
H1300  H     0.29638   0.64145   0.08135   0.00000  Uiso   1.00
H1301  H     0.30363   0.66753   0.02564   0.00000  Uiso   1.00
H1302  H     0.36004   0.68075   0.00437   0.00000  Uiso   1.00
H1303  H     0.41417   0.68635   0.01986   0.00000  Uiso   1.00
H1304  H     0.42787   0.64817   0.08840   0.00000  Uiso   1.00
H1305  H     0.36532   0.61697   0.12954   0.00000  Uiso   1.00
C1306  C     0.78077   0.37067   0.81743   0.00000  Uiso   1.00
C1307  C     0.78349   0.33663   0.82427   0.00000  Uiso   1.00
C1308  C     0.79525   0.38376   0.78841   0.00000  Uiso   1.00
C1309  C     0.80092   0.31579   0.80281   0.00000  Uiso   1.00
C1310  C     0.81310   0.36278   0.76684   0.00000  Uiso   1.00
C1311  C     0.81571   0.32879   0.77431   0.00000  Uiso   1.00
O1312  O     0.82844   0.37397   0.73830   0.00000  Uiso   1.00
O1313  O     0.79196   0.41780   0.78187   0.00000  Uiso   1.00
O1314  O     0.76368   0.39022   0.83984   0.00000  Uiso   1.00
H1315  H     0.77180   0.32621   0.84692   0.00000  Uiso   1.00
H1316  H     0.80323   0.28904   0.80884   0.00000  Uiso   1.00
H1317  H     0.82970   0.31212   0.75752   0.00000  Uiso   1.00
H1318  H     0.82901   0.39771   0.73900   0.00000  Uiso   1.00
H1319  H     0.77771   0.42011   0.76256   0.00000  Uiso   1.00
H1320  H     0.76698   0.41271   0.83308   0.00000  Uiso   1.00
C1321  C     0.87469   0.16600   0.82724   0.00000  Uiso   1.00
C1322  C     0.89788   0.19190   0.82624   0.00000  Uiso   1.00
C1323  C     0.88382   0.13397   0.81607   0.00000  Uiso   1.00
C1324  C     0.92991   0.18621   0.81442   0.00000  Uiso   1.00
C1325  C     0.91662   0.12834   0.80457   0.00000  Uiso   1.00
C1326  C     0.93930   0.15460   0.80380   0.00000  Uiso   1.00
O1327  O     0.92543   0.09683   0.79427   0.00000  Uiso   1.00
O1328  O     0.86029   0.10876   0.81690   0.00000  Uiso   1.00
O1329  O     0.84335   0.17305   0.83920   0.00000  Uiso   1.00
H1330  H     0.89067   0.21709   0.83466   0.00000  Uiso   1.00
H1331  H     0.94785   0.20702   0.81359   0.00000  Uiso   1.00
H1332  H     0.96493   0.15073   0.79465   0.00000  Uiso   1.00
H1333  H     0.94800   0.09754   0.78694   0.00000  Uiso   1.00
H1334  H     0.87241   0.08866   0.81275   0.00000  Uiso   1.00
H1335  H     0.82953   0.15479   0.83235   0.00000  Uiso   1.00
C1336  C     0.65596   0.73531   0.91677   0.00000  Uiso   1.00
C1337  C     0.65092   0.71728   0.94613   0.00000  Uiso   1.00
C1338  C     0.64785   0.76944   0.91547   0.00000  Uiso   1.00
C1339  C     0.63871   0.73299   0.97444   0.00000  Uiso   1.00
C1340  C     0.63483   0.78482   0.94408   0.00000  Uiso   1.00
C1341  C     0.63083   0.76666   0.97337   0.00000  Uiso   1.00
O1342  O     0.62640   0.81841   0.94459   0.00000  Uiso   1.00
O1343  O     0.65303   0.78634   0.88583   0.00000  Uiso   1.00
O1344  O     0.66882   0.71863   0.88981   0.00000  Uiso   1.00
H1345  H     0.65712   0.69051   0.94682   0.00000  Uiso   1.00
H1346  H     0.63560   0.71899   0.99785   0.00000  Uiso   1.00
H1347  H     0.62125   0.77910   0.99592   0.00000  Uiso   1.00
H1348  H     0.60705   0.82122   0.93076   0.00000  Uiso   1.00
H1349  H     0.63976   0.80616   0.88699   0.00000  Uiso   1.00
H1350  H     0.67144   0.73500   0.87267   0.00000  Uiso   1.00
C1351  C     0.20100   0.45164   0.29718   0.00000  Uiso   1.00
C1352  C     0.20671   0.46973   0.26799   0.00000  Uiso   1.00
C1353  C     0.20147   0.46807   0.32824   0.00000  Uiso   1.00
C1354  C     0.21307   0.50375   0.26944   0.00000  Uiso   1.00
C1355  C     0.20770   0.50268   0.32942   0.00000  Uiso   1.00
C1356  C     0.21366   0.52008   0.30000   0.00000  Uiso   1.00
O1357  O     0.20765   0.51855   0.35983   0.00000  Uiso   1.00
O1358  O     0.19572   0.44970   0.35687   0.00000  Uiso   1.00
O1359  O     0.19508   0.41801   0.29439   0.00000  Uiso   1.00
H1360  H     0.20641   0.45682   0.24368   0.00000  Uiso   1.00
H1361  H     0.21779   0.51773   0.24622   0.00000  Uiso   1.00
H1362  H     0.21897   0.54708   0.30068   0.00000  Uiso   1.00
H1363  H     0.21090   0.54179   0.35591   0.00000  Uiso   1.00
H1364  H     0.19751   0.46538   0.37474   0.00000  Uiso   1.00
H1365  H     0.19284   0.41007   0.31670   0.00000  Uiso   1.00
C1366  C     0.17546   0.40237   0.71440   0.00000  Uiso   1.00
C1367  C     0.16509   0.37153   0.70203   0.00000  Uiso   1.00
C1368  C     0.20809   0.40614   0.72700   0.00000  Uiso   1.00
C1369  C     0.18671   0.34450   0.70204   0.00000  Uiso   1.00
C1370  C     0.22999   0.37854   0.72659   0.00000  Uiso   1.00
C1371  C     0.21899   0.34809   0.71408   0.00000  Uiso   1.00
O1372  O     0.26186   0.38212   0.73874   0.00000  Uiso   1.00
O1373  O     0.21747   0.43690   0.73953   0.00000  Uiso   1.00
O1374  O     0.15276   0.42808   0.71418   0.00000  Uiso   1.00
H1375  H     0.13957   0.36853   0.69223   0.00000  Uiso   1.00
H1376  H     0.17820   0.32026   0.69222   0.00000  Uiso   1.00
H1377  H     0.23595   0.32644   0.71365   0.00000  Uiso   1.00
H1378  H     0.27344   0.36134   0.73595   0.00000  Uiso   1.00
H1379  H     0.24040   0.43463   0.74612   0.00000  Uiso   1.00
H1380  H     0.16172   0.44475   0.72860   0.00000  Uiso   1.00
C1381  C     0.91224   0.97222   0.55913   0.00000  Uiso   1.00
C1382  C     0.92432   0.98668   0.52984   0.00000  Uiso   1.00
C1383  C     0.93278   0.95039   0.57746   0.00000  Uiso   1.00
C1384  C     0.95636   0.97970   0.51870   0.00000  Uiso   1.00
C1385  C     0.96543   0.94371   0.56611   0.00000  Uiso   1.00
C1386  C     0.97685   0.95840   0.53681   0.00000  Uiso   1.00
O1387  O     0.98528   0.92263   0.58454   0.00000  Uiso   1.00
O1388  O     0.92053   0.93600   0.60633   0.00000  Uiso   1.00
O1389  O     0.88038   0.98020   0.56880   0.00000  Uiso   1.00
H1390  H     0.90824   1.00380   0.51552   0.00000  Uiso   1.00
H1391  H     0.96546   0.99116   0.49539   0.00000  Uiso   1.00
H1392  H     1.00216   0.95319   0.52741   0.00000  Uiso   1.00
H1393  H     1.00673   0.92206   0.57438   0.00000  Uiso   1.00
H1394  H     0.93747   0.92071   0.61313   0.00000  Uiso   1.00
H1395  H     0.87638   0.96843   0.58909   0.00000  Uiso   1.00
C1396  C     0.19151   0.98342   0.72260   0.00000  Uiso   1.00
C1397  C     0.18722   1.01769   0.71824   0.00000  Uiso   1.00
C1398  C     0.19689   0.97033   0.75478   0.00000  Uiso   1.00
C1399  C     0.18824   1.03897   0.74552   0.00000  Uiso   1.00
C1400  C     0.19740   0.99215   0.78236   0.00000  Uiso   1.00
C1401  C     0.19314   1.02626   0.77738   0.00000  Uiso   1.00
O1402  O     0.20225   0.97928   0.81374   0.00000  Uiso   1.00
O1403  O     0.20145   0.93631   0.75768   0.00000  Uiso   1.00
O1404  O     0.19078   0.96333   0.69480   0.00000  Uiso   1.00
H1405  H     0.18336   1.02814   0.69310   0.00000  Uiso   1.00
H1406  H     0.18526   1.06604   0.74176   0.00000  Uiso   1.00
H1407  H     0.19394   1.04366   0.79869   0.00000  Uiso   1.00
H1408  H     0.19555   0.99542   0.82974   0.00000  Uiso   1.00
H1409  H     0.20858   0.93156   0.78014   0.00000  Uiso   1.00
H1410  H     0.19304   0.94101   0.70322   0.00000  Uiso   1.00
C1411  C    -0.03942   0.81809   0.41473   0.00000  Uiso   1.00
C1412  C    -0.01198   0.81089   0.43490   0.00000  Uiso   1.00
C1413  C    -0.03460   0.83443   0.38402   0.00000  Uiso   1.00
C1414  C     0.01987   0.82020   0.42499   0.00000  Uiso   1.00
C1415  C    -0.00212   0.84359   0.37408   0.00000  Uiso   1.00
C1416  C     0.02474   0.83673   0.39492   0.00000  Uiso   1.00
O1417  O     0.00202   0.85900   0.34372   0.00000  Uiso   1.00
O1418  O    -0.06196   0.84095   0.36401   0.00000  Uiso   1.00
O1419  O    -0.07047   0.80853   0.42561   0.00000  Uiso   1.00
H1420  H    -0.01560   0.79754   0.45866   0.00000  Uiso   1.00
H1421  H     0.04150   0.81390   0.44073   0.00000  Uiso   1.00
H1422  H     0.05035   0.84329   0.38726   0.00000  Uiso   1.00
H1423  H     0.02536   0.86185   0.33993   0.00000  Uiso   1.00
H1424  H    -0.05267   0.85189   0.34495   0.00000  Uiso   1.00
H1425  H    -0.08523   0.81410   0.40778   0.00000  Uiso   1.00
C1426  C     0.54905   0.66694   0.91553   0.00000  Uiso   1.00
C1427  C     0.57619   0.68390   0.90185   0.00000  Uiso   1.00
C1428  C     0.54238   0.63400   0.90553   0.00000  Uiso   1.00
C1429  C     0.59629   0.66851   0.87820   0.00000  Uiso   1.00
C1430  C     0.56314   0.61845   0.88183   0.00000  Uiso   1.00
C1431  C     0.58984   0.63595   0.86824   0.00000  Uiso   1.00
O1432  O     0.55589   0.58621   0.87284   0.00000  Uiso   1.00
O1433  O     0.51546   0.61737   0.91929   0.00000  Uiso   1.00
O1434  O     0.52964   0.68304   0.93869   0.00000  Uiso   1.00
H1435  H     0.58183   0.70957   0.90988   0.00000  Uiso   1.00
H1436  H     0.61754   0.68221   0.86736   0.00000  Uiso   1.00
H1437  H     0.60607   0.62428   0.84936   0.00000  Uiso   1.00
H1438  H     0.57253   0.57853   0.85738   0.00000  Uiso   1.00
H1439  H     0.51649   0.59560   0.90949   0.00000  Uiso   1.00
H1440  H     0.51550   0.66607   0.94768   0.00000  Uiso   1.00
C1441  C     0.25943   0.89964   0.81392   0.00000  Uiso   1.00
C1442  C     0.27811   0.92896   0.81204   0.00000  Uiso   1.00
C1443  C     0.27589   0.86863   0.81664   0.00000  Uiso   1.00
C1444  C     0.31267   0.92795   0.81324   0.00000  Uiso   1.00
C1445  C     0.31096   0.86794   0.81691   0.00000  Uiso   1.00
C1446  C     0.32904   0.89753   0.81552   0.00000  Uiso   1.00
O1447  O     0.32769   0.83775   0.81969   0.00000  Uiso   1.00
O1448  O     0.25708   0.83989   0.81916   0.00000  Uiso   1.00
O1449  O     0.22527   0.90284   0.81319   0.00000  Uiso   1.00
H1450  H     0.26530   0.95319   0.80996   0.00000  Uiso   1.00
H1451  H     0.32721   0.95127   0.81207   0.00000  Uiso   1.00
H1452  H     0.35652   0.89722   0.81633   0.00000  Uiso   1.00
H1453  H     0.34252   0.83604   0.80085   0.00000  Uiso   1.00
H1454  H     0.27248   0.82176   0.81850   0.00000  Uiso   1.00
H1455  H     0.21604   0.88292   0.82278   0.00000  Uiso   1.00
C1456  C     0.62563   0.24577   0.39288   0.00000  Uiso   1.00
C1457  C     0.63319   0.27156   0.37074   0.00000  Uiso   1.00
C1458  C     0.61725   0.25309   0.42609   0.00000  Uiso   1.00
C1459  C     0.63174   0.30446   0.38153   0.00000  Uiso   1.00
C1460  C     0.61606   0.28645   0.43677   0.00000  Uiso   1.00
C1461  C     0.62300   0.31187   0.41421   0.00000  Uiso   1.00
O1462  O     0.60793   0.29276   0.46946   0.00000  Uiso   1.00
O1463  O     0.61035   0.22693   0.44752   0.00000  Uiso   1.00
O1464  O     0.62654   0.21339   0.38192   0.00000  Uiso   1.00
H1465  H     0.64027   0.26594   0.34476   0.00000  Uiso   1.00
H1466  H     0.63768   0.32502   0.36431   0.00000  Uiso   1.00
H1467  H     0.62165   0.33820   0.42188   0.00000  Uiso   1.00
H1468  H     0.61526   0.31497   0.47471   0.00000  Uiso   1.00
H1469  H     0.60569   0.23754   0.46838   0.00000  Uiso   1.00
H1470  H     0.62250   0.20050   0.40164   0.00000  Uiso   1.00
C1471  C     0.32594   0.62114   0.26040   0.00000  Uiso   1.00
C1472  C     0.29368   0.61314   0.25015   0.00000  Uiso   1.00
C1473  C     0.34360   0.59901   0.28117   0.00000  Uiso   1.00
C1474  C     0.27908   0.58336   0.26018   0.00000  Uiso   1.00
C1475  C     0.32847   0.56899   0.29141   0.00000  Uiso   1.00
C1476  C     0.29637   0.56136   0.28066   0.00000  Uiso   1.00
O1477  O     0.34622   0.54784   0.31176   0.00000  Uiso   1.00
O1478  O     0.37573   0.60713   0.29081   0.00000  Uiso   1.00
O1479  O     0.33993   0.65048   0.24928   0.00000  Uiso   1.00
H1480  H     0.27979   0.63019   0.23360   0.00000  Uiso   1.00
H1481  H     0.25371   0.57719   0.25157   0.00000  Uiso   1.00
H1482  H     0.28446   0.53771   0.28811   0.00000  Uiso   1.00
H1483  H     0.33535   0.52668   0.31193   0.00000  Uiso   1.00
H1484  H     0.38395   0.58732   0.30126   0.00000  Uiso   1.00
H1485  H     0.36345   0.64705   0.25167   0.00000  Uiso   1.00
C1486  C     0.92881   0.03482   0.06922   0.00000  Uiso   1.00
C1487  C     0.94311   0.03538   0.03748   0.00000  Uiso   1.00
C1488  C     0.94212   0.05513   0.09458   0.00000  Uiso   1.00
C1489  C     0.97012   0.05602   0.03087   0.00000  Uiso   1.00
C1490  C     0.96976   0.07576   0.08770   0.00000  Uiso   1.00
C1491  C     0.98339   0.07611   0.05580   0.00000  Uiso   1.00
O1492  O     0.98252   0.09506   0.11307   0.00000  Uiso   1.00
O1493  O     0.92794   0.05419   0.12599   0.00000  Uiso   1.00
O1494  O     0.90214   0.01395   0.07454   0.00000  Uiso   1.00
H1495  H     0.93298   0.01921   0.01767   0.00000  Uiso   1.00
H1496  H     0.98129   0.05633   0.00575   0.00000  Uiso   1.00
H1497  H     1.00489   0.09223   0.04989   0.00000  Uiso   1.00
H1498  H     1.00410   0.10284   0.10642   0.00000  Uiso   1.00
H1499  H     0.94215   0.06783   0.13936   0.00000  Uiso   1.00
H1500  H     0.89765   0.01511   0.09793   0.00000  Uiso   1.00
S1501  S     0.24370   0.78279   0.72461   0.00000  Uiso   1.00
O1502  O     0.14381   0.74105   0.66581   0.00000  Uiso   1.00
O1503  O     0.09519   0.75918   0.65111   0.00000  Uiso   1.00
N1504  N     0.17597   0.76775   0.71563   0.00000  Uiso   1.00
N1505  N     0.11941   0.75896   0.66964   0.00000  Uiso   1.00
N1506  N     0.16287   0.72535   0.80169   0.00000  Uiso   1.00
C1507  C     0.18314   0.74029   0.78724   0.00000  Uiso   1.00
C1508  C     0.30278   0.78040   0.76625   0.00000  Uiso   1.00
C1509  C     0.14617   0.78685   0.71890   0.00000  Uiso   1.00
C1510  C     0.11909   0.78296   0.69617   0.00000  Uiso   1.00
C1511  C     0.09078   0.80360   0.70029   0.00000  Uiso   1.00
C1512  C     0.08899   0.82747   0.72552   0.00000  Uiso   1.00
C1513  C     0.11555   0.83125   0.74745   0.00000  Uiso   1.00
C1514  C     0.14361   0.81094   0.74435   0.00000  Uiso   1.00
C1515  C     0.20433   0.76854   0.73577   0.00000  Uiso   1.00
C1516  C     0.20924   0.75688   0.76849   0.00000  Uiso   1.00
C1517  C     0.24285   0.76061   0.78123   0.00000  Uiso   1.00
C1518  C     0.26644   0.77458   0.76079   0.00000  Uiso   1.00
H1519  H     0.18193   0.76554   0.69142   0.00000  Uiso   1.00
H1520  H     0.30976   0.80679   0.76258   0.00000  Uiso   1.00
H1521  H     0.31819   0.76553   0.74892   0.00000  Uiso   1.00
H1522  H     0.30964   0.77323   0.79182   0.00000  Uiso   1.00
H1523  H     0.06920   0.80059   0.68335   0.00000  Uiso   1.00
H1524  H     0.06662   0.84314   0.72820   0.00000  Uiso   1.00
H1525  H     0.11453   0.85022   0.76730   0.00000  Uiso   1.00
H1526  H     0.16433   0.81453   0.76218   0.00000  Uiso   1.00
H1527  H     0.25004   0.75194   0.80632   0.00000  Uiso   1.00
S1528  S     0.05141   1.02447   0.01735   0.00000  Uiso   1.00
O1529  O     0.07902   0.92323   0.07118   0.00000  Uiso   1.00
O1530  O     0.08168   0.90630   0.12232   0.00000  Uiso   1.00
N1531  N     0.09340   0.98471   0.05567   0.00000  Uiso   1.00
N1532  N     0.08573   0.92740   0.10065   0.00000  Uiso   1.00
N1533  N     0.17779   1.02677   0.01846   0.00000  Uiso   1.00
C1534  C     0.14878   1.02803   0.01888   0.00000  Uiso   1.00
C1535  C     0.04319   1.07869  -0.03108   0.00000  Uiso   1.00
C1536  C     0.10587   0.98564   0.08892   0.00000  Uiso   1.00
C1537  C     0.10135   0.95796   0.11093   0.00000  Uiso   1.00
C1538  C     0.11266   0.96109   0.14420   0.00000  Uiso   1.00
C1539  C     0.12798   0.99009   0.15572   0.00000  Uiso   1.00
C1540  C     0.13267   1.01674   0.13411   0.00000  Uiso   1.00
C1541  C     0.12180   1.01451   0.10115   0.00000  Uiso   1.00
C1542  C     0.08956   1.01065   0.03283   0.00000  Uiso   1.00
C1543  C     0.11275   1.03097   0.01587   0.00000  Uiso   1.00
C1544  C     0.09802   1.05486  -0.00688   0.00000  Uiso   1.00
C1545  C     0.06402   1.05586  -0.01013   0.00000  Uiso   1.00
H1546  H     0.07384   0.96899   0.05473   0.00000  Uiso   1.00
H1547  H     0.02672   1.09464  -0.01579   0.00000  Uiso   1.00
H1548  H     0.02711   1.06507  -0.04878   0.00000  Uiso   1.00
H1549  H     0.05946   1.09533  -0.04567   0.00000  Uiso   1.00
H1550  H     0.10923   0.94010   0.16179   0.00000  Uiso   1.00
H1551  H     0.13632   0.99213   0.18182   0.00000  Uiso   1.00
H1552  H     0.14468   1.03974   0.14309   0.00000  Uiso   1.00
H1553  H     0.12583   1.03618   0.08461   0.00000  Uiso   1.00
H1554  H     0.11339   1.07193  -0.02189   0.00000  Uiso   1.00
S1555  S     0.31373   0.89465   0.13820   0.00000  Uiso   1.00
O1556  O     0.35914   0.82470   0.21886   0.00000  Uiso   1.00
O1557  O     0.37990   0.81515   0.26767   0.00000  Uiso   1.00
N1558  N     0.34121   0.88496   0.20162   0.00000  Uiso   1.00
N1559  N     0.36848   0.83382   0.24643   0.00000  Uiso   1.00
N1560  N     0.42015   0.94481   0.18408   0.00000  Uiso   1.00
C1561  C     0.39476   0.93510   0.17374   0.00000  Uiso   1.00
C1562  C     0.31766   0.92698   0.07286   0.00000  Uiso   1.00
C1563  C     0.35586   0.89351   0.23271   0.00000  Uiso   1.00
C1564  C     0.36839   0.86866   0.25479   0.00000  Uiso   1.00
C1565  C     0.38159   0.87922   0.28576   0.00000  Uiso   1.00
C1566  C     0.38265   0.91281   0.29484   0.00000  Uiso   1.00
C1567  C     0.37045   0.93693   0.27311   0.00000  Uiso   1.00
C1568  C     0.35719   0.92728   0.24243   0.00000  Uiso   1.00
C1569  C     0.34178   0.90081   0.17075   0.00000  Uiso   1.00
C1570  C     0.36480   0.92354   0.15695   0.00000  Uiso   1.00
C1571  C     0.35765   0.93376   0.12307   0.00000  Uiso   1.00
C1572  C     0.33028   0.92066   0.10739   0.00000  Uiso   1.00
H1573  H     0.32737   0.86388   0.20251   0.00000  Uiso   1.00
H1574  H     0.29275   0.93867   0.07266   0.00000  Uiso   1.00
H1575  H     0.31577   0.90378   0.05812   0.00000  Uiso   1.00
H1576  H     0.33483   0.94378   0.05958   0.00000  Uiso   1.00
H1577  H     0.39136   0.86058   0.30357   0.00000  Uiso   1.00
H1578  H     0.39299   0.92028   0.31922   0.00000  Uiso   1.00
H1579  H     0.37093   0.96345   0.28036   0.00000  Uiso   1.00
H1580  H     0.34662   0.94654   0.22581   0.00000  Uiso   1.00
H1581  H     0.37404   0.95108   0.10943   0.00000  Uiso   1.00
S1582  S     0.95035   0.10579   0.42103   0.00000  Uiso   1.00
O1583  O     1.01803   0.17987   0.36243   0.00000  Uiso   1.00
O1584  O     1.02865   0.22864   0.34165   0.00000  Uiso   1.00
N1585  N     0.96435   0.16981   0.39879   0.00000  Uiso   1.00
N1586  N     1.01230   0.20966   0.35909   0.00000  Uiso   1.00
N1587  N     0.86835   0.19187   0.37872   0.00000  Uiso   1.00
C1588  C     0.88564   0.17065   0.38837   0.00000  Uiso   1.00
C1589  C     0.90228   0.05265   0.43360   0.00000  Uiso   1.00
C1590  C     0.96182   0.20495   0.39608   0.00000  Uiso   1.00
C1591  C     0.98498   0.22422   0.37699   0.00000  Uiso   1.00
C1592  C     0.98036   0.25915   0.37572   0.00000  Uiso   1.00
C1593  C     0.95439   0.27497   0.39261   0.00000  Uiso   1.00
C1594  C     0.93229   0.25618   0.41160   0.00000  Uiso   1.00
C1595  C     0.93625   0.22172   0.41359   0.00000  Uiso   1.00
C1596  C     0.94078   0.14520   0.40568   0.00000  Uiso   1.00
C1597  C     0.90587   0.14366   0.40163   0.00000  Uiso   1.00
C1598  C     0.89089   0.11217   0.41104   0.00000  Uiso   1.00
C1599  C     0.91107   0.08717   0.42264   0.00000  Uiso   1.00
H1600  H     0.98647   0.16065   0.39127   0.00000  Uiso   1.00
H1601  H     0.90906   0.04797   0.45991   0.00000  Uiso   1.00
H1602  H     0.91484   0.03339   0.41839   0.00000  Uiso   1.00
H1603  H     0.87520   0.04887   0.43113   0.00000  Uiso   1.00
H1604  H     0.99760   0.27467   0.36078   0.00000  Uiso   1.00
H1605  H     0.95147   0.30226   0.39091   0.00000  Uiso   1.00
H1606  H     0.91137   0.26822   0.42472   0.00000  Uiso   1.00
H1607  H     0.91877   0.20762   0.42955   0.00000  Uiso   1.00
H1608  H     0.86386   0.10768   0.40864   0.00000  Uiso   1.00
S1609  S     0.82298   0.25911   0.64028   0.00000  Uiso   1.00
O1610  O     0.75234   0.21341   0.55438   0.00000  Uiso   1.00
O1611  O     0.75029   0.18289   0.50991   0.00000  Uiso   1.00
N1612  N     0.81012   0.23762   0.57508   0.00000  Uiso   1.00
N1613  N     0.76481   0.20161   0.52916   0.00000  Uiso   1.00
N1614  N     0.84491   0.32089   0.53217   0.00000  Uiso   1.00
C1615  C     0.84104   0.30780   0.55778   0.00000  Uiso   1.00
C1616  C     0.85008   0.31065   0.68460   0.00000  Uiso   1.00
C1617  C     0.81991   0.22861   0.54220   0.00000  Uiso   1.00
C1618  C     0.79815   0.21102   0.52020   0.00000  Uiso   1.00
C1619  C     0.81002   0.20315   0.48796   0.00000  Uiso   1.00
C1620  C     0.84180   0.21228   0.47723   0.00000  Uiso   1.00
C1621  C     0.86327   0.22856   0.49903   0.00000  Uiso   1.00
C1622  C     0.85247   0.23626   0.53117   0.00000  Uiso   1.00
C1623  C     0.82262   0.26163   0.59689   0.00000  Uiso   1.00
C1624  C     0.83705   0.29318   0.59072   0.00000  Uiso   1.00
C1625  C     0.84701   0.31129   0.62031   0.00000  Uiso   1.00
C1626  C     0.84160   0.29709   0.65091   0.00000  Uiso   1.00
H1627  H     0.79438   0.22112   0.58580   0.00000  Uiso   1.00
H1628  H     0.86814   0.29481   0.69811   0.00000  Uiso   1.00
H1629  H     0.82785   0.31328   0.70064   0.00000  Uiso   1.00
H1630  H     0.86130   0.33558   0.68198   0.00000  Uiso   1.00
H1631  H     0.79360   0.19010   0.47008   0.00000  Uiso   1.00
H1632  H     0.84959   0.20673   0.45144   0.00000  Uiso   1.00
H1633  H     0.88858   0.23552   0.49090   0.00000  Uiso   1.00
H1634  H     0.87028   0.24841   0.54829   0.00000  Uiso   1.00
H1635  H     0.85844   0.33627   0.61890   0.00000  Uiso   1.00
S1636  S     0.96066   0.80925   0.53478   0.00000  Uiso   1.00
O1637  O     0.91869   0.69593   0.57000   0.00000  Uiso   1.00
O1638  O     0.90124   0.66935   0.61368   0.00000  Uiso   1.00
N1639  N     0.95125   0.75249   0.57550   0.00000  Uiso   1.00
N1640  N     0.91474   0.69314   0.60010   0.00000  Uiso   1.00
N1641  N     1.04259   0.74415   0.60390   0.00000  Uiso   1.00
C1642  C     1.02563   0.76304   0.58985   0.00000  Uiso   1.00
C1643  C     1.00462   0.86284   0.51260   0.00000  Uiso   1.00
C1644  C     0.94014   0.74964   0.60924   0.00000  Uiso   1.00
C1645  C     0.92229   0.72120   0.62094   0.00000  Uiso   1.00
C1646  C     0.91148   0.72095   0.65452   0.00000  Uiso   1.00
C1647  C     0.91716   0.74778   0.67587   0.00000  Uiso   1.00
C1648  C     0.93460   0.77544   0.66439   0.00000  Uiso   1.00
C1649  C     0.94623   0.77611   0.63162   0.00000  Uiso   1.00
C1650  C     0.97147   0.77772   0.56250   0.00000  Uiso   1.00
C1651  C     1.00523   0.78464   0.56918   0.00000  Uiso   1.00
C1652  C     1.01858   0.81385   0.55260   0.00000  Uiso   1.00
C1653  C     0.99794   0.83165   0.53195   0.00000  Uiso   1.00
H1654  H     0.93349   0.74481   0.55945   0.00000  Uiso   1.00
H1655  H     0.98826   0.88358   0.52040   0.00000  Uiso   1.00
H1656  H     1.00088   0.85953   0.48550   0.00000  Uiso   1.00
H1657  H     1.03056   0.87089   0.51653   0.00000  Uiso   1.00
H1658  H     0.89747   0.69926   0.66419   0.00000  Uiso   1.00
H1659  H     0.90804   0.74718   0.70179   0.00000  Uiso   1.00
H1660  H     0.93907   0.79676   0.68114   0.00000  Uiso   1.00
H1661  H     0.95978   0.79851   0.62305   0.00000  Uiso   1.00
H1662  H     1.04469   0.82188   0.55579   0.00000  Uiso   1.00
S1663  S     0.11829   0.83894   0.01913   0.00000  Uiso   1.00
O1664  O     0.14696   0.89504   0.12023   0.00000  Uiso   1.00
O1665  O     0.18114   0.90268   0.16122   0.00000  Uiso   1.00
N1666  N     0.15397   0.84618   0.07864   0.00000  Uiso   1.00
N1667  N     0.17191   0.88793   0.13618   0.00000  Uiso   1.00
N1668  N     0.14745   0.75052   0.10419   0.00000  Uiso   1.00
C1669  C     0.14191   0.76896   0.08248   0.00000  Uiso   1.00
C1670  C     0.08428   0.79491  -0.02821   0.00000  Uiso   1.00
C1671  C     0.18521   0.84263   0.09515   0.00000  Uiso   1.00
C1672  C     0.19390   0.86301   0.12303   0.00000  Uiso   1.00
C1673  C     0.22537   0.85807   0.13812   0.00000  Uiso   1.00
C1674  C     0.24816   0.83489   0.12582   0.00000  Uiso   1.00
C1675  C     0.23993   0.81567   0.09816   0.00000  Uiso   1.00
C1676  C     0.20869   0.81928   0.08328   0.00000  Uiso   1.00
C1677  C     0.13797   0.82576   0.05552   0.00000  Uiso   1.00
C1678  C     0.13223   0.79104   0.05543   0.00000  Uiso   1.00
C1679  C     0.11379   0.77879   0.02689   0.00000  Uiso   1.00
C1680  C     0.10330   0.80118   0.00328   0.00000  Uiso   1.00
H1681  H     0.14612   0.86996   0.07815   0.00000  Uiso   1.00
H1682  H     0.09850   0.80230  -0.05065   0.00000  Uiso   1.00
H1683  H     0.06030   0.80848  -0.02891   0.00000  Uiso   1.00
H1684  H     0.07874   0.76810  -0.03037   0.00000  Uiso   1.00
H1685  H     0.23274   0.87304   0.16008   0.00000  Uiso   1.00
H1686  H     0.27258   0.83173   0.13812   0.00000  Uiso   1.00
H1687  H     0.25795   0.79748   0.08810   0.00000  Uiso   1.00
H1688  H     0.20287   0.80377   0.06124   0.00000  Uiso   1.00
H1689  H     0.10754   0.75216   0.02398   0.00000  Uiso   1.00
S1690  S     0.75432   0.08944   0.50051   0.00000  Uiso   1.00
O1691  O     0.65173   0.04075   0.53374   0.00000  Uiso   1.00
O1692  O     0.61998   0.01926   0.57173   0.00000  Uiso   1.00
N1693  N     0.71448   0.05406   0.54563   0.00000  Uiso   1.00
N1694  N     0.64676   0.03018   0.56194   0.00000  Uiso   1.00
N1695  N     0.78508  -0.01054   0.57124   0.00000  Uiso   1.00
C1696  C     0.78051   0.01239   0.55405   0.00000  Uiso   1.00
C1697  C     0.81904   0.09859   0.46818   0.00000  Uiso   1.00
C1698  C     0.70583   0.04358   0.57835   0.00000  Uiso   1.00
C1699  C     0.67300   0.03210   0.58624   0.00000  Uiso   1.00
C1700  C     0.66643   0.02228   0.61946   0.00000  Uiso   1.00
C1701  C     0.69074   0.02413   0.64426   0.00000  Uiso   1.00
C1702  C     0.72259   0.03545   0.63664   0.00000  Uiso   1.00
C1703  C     0.72990   0.04528   0.60409   0.00000  Uiso   1.00
C1704  C     0.74533   0.05904   0.53025   0.00000  Uiso   1.00
C1705  C     0.77577   0.04158   0.53301   0.00000  Uiso   1.00
C1706  C     0.80247   0.05413   0.51209   0.00000  Uiso   1.00
C1707  C     0.79617   0.08089   0.49175   0.00000  Uiso   1.00
H1708  H     0.69466   0.05920   0.53115   0.00000  Uiso   1.00
H1709  H     0.82196   0.12532   0.47433   0.00000  Uiso   1.00
H1710  H     0.81022   0.09721   0.44209   0.00000  Uiso   1.00
H1711  H     0.84395   0.08708   0.46930   0.00000  Uiso   1.00
H1712  H     0.64135   0.01303   0.62647   0.00000  Uiso   1.00
H1713  H     0.68451   0.01668   0.66998   0.00000  Uiso   1.00
H1714  H     0.74193   0.03632   0.65618   0.00000  Uiso   1.00
H1715  H     0.75517   0.05488   0.59881   0.00000  Uiso   1.00
H1716  H     0.82741   0.04247   0.51180   0.00000  Uiso   1.00
S1717  S     0.63741   0.82703   0.39630   0.00000  Uiso   1.00
O1718  O     0.53045   0.83499   0.42382   0.00000  Uiso   1.00
O1719  O     0.48670   0.85634   0.44700   0.00000  Uiso   1.00
N1720  N     0.58792   0.86529   0.42578   0.00000  Uiso   1.00
N1721  N     0.51639   0.85674   0.43998   0.00000  Uiso   1.00
N1722  N     0.64390   0.89267   0.50358   0.00000  Uiso   1.00
C1723  C     0.64617   0.87874   0.47821   0.00000  Uiso   1.00
C1724  C     0.70530   0.80025   0.39731   0.00000  Uiso   1.00
C1725  C     0.56976   0.88943   0.44429   0.00000  Uiso   1.00
C1726  C     0.53504   0.88520   0.45116   0.00000  Uiso   1.00
C1727  C     0.51872   0.91004   0.47016   0.00000  Uiso   1.00
C1728  C     0.53548   0.93810   0.48205   0.00000  Uiso   1.00
C1729  C     0.56894   0.94269   0.47430   0.00000  Uiso   1.00
C1730  C     0.58566   0.91879   0.45535   0.00000  Uiso   1.00
C1731  C     0.62099   0.85459   0.42560   0.00000  Uiso   1.00
C1732  C     0.64815   0.85983   0.44738   0.00000  Uiso   1.00
C1733  C     0.67847   0.84254   0.43815   0.00000  Uiso   1.00
C1734  C     0.67833   0.82246   0.41048   0.00000  Uiso   1.00
H1735  H     0.57325   0.85190   0.41059   0.00000  Uiso   1.00
H1736  H     0.70984   0.80378   0.37040   0.00000  Uiso   1.00
H1737  H     0.69946   0.77356   0.40096   0.00000  Uiso   1.00
H1738  H     0.72893   0.80568   0.41018   0.00000  Uiso   1.00
H1739  H     0.49196   0.90721   0.47627   0.00000  Uiso   1.00
H1740  H     0.52229   0.95658   0.49757   0.00000  Uiso   1.00
H1741  H     0.58235   0.96500   0.48319   0.00000  Uiso   1.00
H1742  H     0.61194   0.92358   0.44863   0.00000  Uiso   1.00
H1743  H     0.70131   0.84480   0.45328   0.00000  Uiso   1.00
S1744  S     0.60350   0.05093   0.99159   0.00000  Uiso   1.00
O1745  O     0.59717   0.13150   0.89248   0.00000  Uiso   1.00
O1746  O     0.62642   0.16894   0.86675   0.00000  Uiso   1.00
N1747  N     0.61734   0.10639   0.94967   0.00000  Uiso   1.00
N1748  N     0.62058   0.15100   0.89074   0.00000  Uiso   1.00
N1749  N     0.57285   0.17246   1.00432   0.00000  Uiso   1.00
C1750  C     0.57985   0.14432   1.00454   0.00000  Uiso   1.00
C1751  C     0.57445   0.02790   1.05541   0.00000  Uiso   1.00
C1752  C     0.64021   0.13372   0.94758   0.00000  Uiso   1.00
C1753  C     0.64233   0.15456   0.91894   0.00000  Uiso   1.00
C1754  C     0.66682   0.17996   0.91867   0.00000  Uiso   1.00
C1755  C     0.68879   0.18470   0.94521   0.00000  Uiso   1.00
C1756  C     0.68648   0.16433   0.97317   0.00000  Uiso   1.00
C1757  C     0.66217   0.13946   0.97440   0.00000  Uiso   1.00
C1758  C     0.60402   0.09248   0.97874   0.00000  Uiso   1.00
C1759  C     0.58712   0.10885   1.00490   0.00000  Uiso   1.00
C1760  C     0.57619   0.08745   1.03180   0.00000  Uiso   1.00
C1761  C     0.58249   0.05391   1.02978   0.00000  Uiso   1.00
H1762  H     0.62114   0.08985   0.93122   0.00000  Uiso   1.00
H1763  H     0.59706   0.01712   1.06687   0.00000  Uiso   1.00
H1764  H     0.55961   0.00699   1.04551   0.00000  Uiso   1.00
H1765  H     0.55958   0.03946   1.07536   0.00000  Uiso   1.00
H1766  H     0.66927   0.19642   0.89667   0.00000  Uiso   1.00
H1767  H     0.70795   0.20444   0.94381   0.00000  Uiso   1.00
H1768  H     0.70398   0.16759   0.99414   0.00000  Uiso   1.00
H1769  H     0.66098   0.12338   0.99677   0.00000  Uiso   1.00
H1770  H     0.56232   0.09745   1.05334   0.00000  Uiso   1.00
S1771  S     0.12186   0.69626   0.59201   0.00000  Uiso   1.00
O1772  O     0.02690   0.71677   0.52616   0.00000  Uiso   1.00
O1773  O    -0.02425   0.70633   0.51244   0.00000  Uiso   1.00
N1774  N     0.05878   0.67875   0.56878   0.00000  Uiso   1.00
N1775  N     0.00156   0.69982   0.52738   0.00000  Uiso   1.00
N1776  N     0.08503   0.58651   0.54162   0.00000  Uiso   1.00
C1777  C     0.09568   0.61062   0.55379   0.00000  Uiso   1.00
C1778  C     0.19151   0.67824   0.60353   0.00000  Uiso   1.00
C1779  C     0.02893   0.65951   0.56680   0.00000  Uiso   1.00
C1780  C     0.00121   0.67000   0.54722   0.00000  Uiso   1.00
C1781  C    -0.02754   0.64956   0.54704   0.00000  Uiso   1.00
C1782  C    -0.02958   0.62038   0.56585   0.00000  Uiso   1.00
C1783  C    -0.00261   0.61056   0.58526   0.00000  Uiso   1.00
C1784  C     0.02632   0.62987   0.58546   0.00000  Uiso   1.00
C1785  C     0.09176   0.66987   0.57523   0.00000  Uiso   1.00
C1786  C     0.10979   0.64018   0.56928   0.00000  Uiso   1.00
C1787  C     0.14460   0.64137   0.57886   0.00000  Uiso   1.00
C1788  C     0.15696   0.67042   0.59196   0.00000  Uiso   1.00
H1789  H     0.05422   0.70297   0.57402   0.00000  Uiso   1.00
H1790  H     0.19221   0.68410   0.63041   0.00000  Uiso   1.00
H1791  H     0.20265   0.69954   0.59006   0.00000  Uiso   1.00
H1792  H     0.20774   0.65652   0.59939   0.00000  Uiso   1.00
H1793  H    -0.04935   0.65671   0.53167   0.00000  Uiso   1.00
H1794  H    -0.05259   0.60534   0.56543   0.00000  Uiso   1.00
H1795  H    -0.00418   0.58777   0.60049   0.00000  Uiso   1.00
H1796  H     0.04733   0.62224   0.60156   0.00000  Uiso   1.00
H1797  H     0.16145   0.61984   0.57571   0.00000  Uiso   1.00
S1798  S     0.09732   0.42778   0.60082   0.00000  Uiso   1.00
O1799  O     0.11765   0.38780   0.49978   0.00000  Uiso   1.00
O1800  O     0.11490   0.38817   0.44584   0.00000  Uiso   1.00
N1801  N     0.07603   0.42258   0.53545   0.00000  Uiso   1.00
N1802  N     0.10414   0.39539   0.47348   0.00000  Uiso   1.00
N1803  N    -0.02254   0.41569   0.56255   0.00000  Uiso   1.00
C1804  C     0.00461   0.41805   0.57252   0.00000  Uiso   1.00
C1805  C     0.08191   0.42923   0.67240   0.00000  Uiso   1.00
C1806  C     0.05920   0.42654   0.50445   0.00000  Uiso   1.00
C1807  C     0.07337   0.41371   0.47430   0.00000  Uiso   1.00
C1808  C     0.05605   0.41924   0.44410   0.00000  Uiso   1.00
C1809  C     0.02571   0.43616   0.44307   0.00000  Uiso   1.00
C1810  C     0.01210   0.44872   0.47235   0.00000  Uiso   1.00
C1811  C     0.02888   0.44427   0.50249   0.00000  Uiso   1.00
C1812  C     0.06773   0.42409   0.56917   0.00000  Uiso   1.00
C1813  C     0.03747   0.42213   0.58714   0.00000  Uiso   1.00
C1814  C     0.04097   0.42395   0.62303   0.00000  Uiso   1.00
C1815  C     0.07220   0.42716   0.63643   0.00000  Uiso   1.00
H1816  H     0.10056   0.41872   0.53191   0.00000  Uiso   1.00
H1817  H     0.09524   0.45257   0.67844   0.00000  Uiso   1.00
H1818  H     0.09823   0.40839   0.68002   0.00000  Uiso   1.00
H1819  H     0.05944   0.42820   0.68814   0.00000  Uiso   1.00
H1820  H     0.06628   0.40933   0.42045   0.00000  Uiso   1.00
H1821  H     0.01268   0.43950   0.41908   0.00000  Uiso   1.00
H1822  H    -0.01169   0.46247   0.47183   0.00000  Uiso   1.00
H1823  H     0.01806   0.45594   0.52487   0.00000  Uiso   1.00
H1824  H     0.01926   0.42253   0.63986   0.00000  Uiso   1.00
S1825  S     0.65100   0.09183   0.29681   0.00000  Uiso   1.00
O1826  O     0.71960   0.06680   0.39787   0.00000  Uiso   1.00
O1827  O     0.76505   0.03990   0.40890   0.00000  Uiso   1.00
N1828  N     0.68411   0.05194   0.34403   0.00000  Uiso   1.00
N1829  N     0.73945   0.04425   0.39284   0.00000  Uiso   1.00
N1830  N     0.60814  -0.01133   0.35583   0.00000  Uiso   1.00
C1831  C     0.61690   0.01193   0.34083   0.00000  Uiso   1.00
C1832  C     0.59130   0.10320   0.25579   0.00000  Uiso   1.00
C1833  C     0.70371   0.02232   0.34609   0.00000  Uiso   1.00
C1834  C     0.73100   0.01915   0.36881   0.00000  Uiso   1.00
C1835  C     0.75047  -0.01022   0.36754   0.00000  Uiso   1.00
C1836  C     0.74325  -0.03607   0.34547   0.00000  Uiso   1.00
C1837  C     0.71603  -0.03338   0.32420   0.00000  Uiso   1.00
C1838  C     0.69678  -0.00446   0.32433   0.00000  Uiso   1.00
C1839  C     0.65612   0.05853   0.32432   0.00000  Uiso   1.00
C1840  C     0.62550   0.04137   0.32150   0.00000  Uiso   1.00
C1841  C     0.60202   0.05585   0.29817   0.00000  Uiso   1.00
C1842  C     0.61085   0.08432   0.28143   0.00000  Uiso   1.00
H1843  H     0.69793   0.07246   0.34824   0.00000  Uiso   1.00
H1844  H     0.60355   0.10293   0.23110   0.00000  Uiso   1.00
H1845  H     0.58743   0.12960   0.26268   0.00000  Uiso   1.00
H1846  H     0.56654   0.09168   0.25282   0.00000  Uiso   1.00
H1847  H     0.77182  -0.01327   0.38476   0.00000  Uiso   1.00
H1848  H     0.75866  -0.05879   0.34533   0.00000  Uiso   1.00
H1849  H     0.70950  -0.05405   0.30735   0.00000  Uiso   1.00
H1850  H     0.67577  -0.00296   0.30659   0.00000  Uiso   1.00
H1851  H     0.57725   0.04473   0.29376   0.00000  Uiso   1.00
S1852  S     0.61245   0.90409   0.87221   0.00000  Uiso   1.00
O1853  O     0.52537   0.96599   0.81901   0.00000  Uiso   1.00
O1854  O     0.47321   0.96667   0.80504   0.00000  Uiso   1.00
N1855  N     0.55558   0.90948   0.83241   0.00000  Uiso   1.00
N1856  N     0.49840   0.95239   0.81469   0.00000  Uiso   1.00
N1857  N     0.57904   0.83048   0.77514   0.00000  Uiso   1.00
C1858  C     0.58803   0.84698   0.79732   0.00000  Uiso   1.00
C1859  C     0.67417   0.86856   0.88863   0.00000  Uiso   1.00
C1860  C     0.52250   0.89679   0.83071   0.00000  Uiso   1.00
C1861  C     0.49484   0.91763   0.82239   0.00000  Uiso   1.00
C1862  C     0.46273   0.90304   0.82149   0.00000  Uiso   1.00
C1863  C     0.45758   0.86941   0.82871   0.00000  Uiso   1.00
C1864  C     0.48453   0.84930   0.83712   0.00000  Uiso   1.00
C1865  C     0.51650   0.86292   0.83810   0.00000  Uiso   1.00
C1866  C     0.58531   0.89321   0.84018   0.00000  Uiso   1.00
C1867  C     0.60119   0.86543   0.82563   0.00000  Uiso   1.00
C1868  C     0.63240   0.85602   0.84119   0.00000  Uiso   1.00
C1869  C     0.64371   0.87413   0.86784   0.00000  Uiso   1.00
H1870  H     0.55596   0.93376   0.83850   0.00000  Uiso   1.00
H1871  H     0.66795   0.86271   0.91483   0.00000  Uiso   1.00
H1872  H     0.69087   0.89038   0.88893   0.00000  Uiso   1.00
H1873  H     0.68839   0.84740   0.87841   0.00000  Uiso   1.00
H1874  H     0.44081   0.91853   0.81503   0.00000  Uiso   1.00
H1875  H     0.43223   0.85881   0.82784   0.00000  Uiso   1.00
H1876  H     0.48060   0.82274   0.84299   0.00000  Uiso   1.00
H1877  H     0.53746   0.84666   0.84528   0.00000  Uiso   1.00
H1878  H     0.64703   0.83450   0.83247   0.00000  Uiso   1.00
S1879  S     0.58496   0.24407   0.86867   0.00000  Uiso   1.00
O1880  O     0.60535   0.38223   0.85129   0.00000  Uiso   1.00
O1881  O     0.58623   0.33187   0.84921   0.00000  Uiso   1.00
N1882  N     0.62403   0.28244   0.82491   0.00000  Uiso   1.00
N1883  N     0.60743   0.35290   0.84306   0.00000  Uiso   1.00
N1884  N     0.68560   0.31476   0.89563   0.00000  Uiso   1.00
C1885  C     0.66426   0.29577   0.89032   0.00000  Uiso   1.00
C1886  C     0.57365   0.21978   0.93672   0.00000  Uiso   1.00
C1887  C     0.64446   0.31029   0.81582   0.00000  Uiso   1.00
C1888  C     0.63656   0.34379   0.82433   0.00000  Uiso   1.00
C1889  C     0.65873   0.36923   0.81397   0.00000  Uiso   1.00
C1890  C     0.68786   0.36204   0.79638   0.00000  Uiso   1.00
C1891  C     0.69556   0.32918   0.78841   0.00000  Uiso   1.00
C1892  C     0.67384   0.30369   0.79784   0.00000  Uiso   1.00
C1893  C     0.61778   0.26992   0.85680   0.00000  Uiso   1.00
C1894  C     0.63514   0.27461   0.88703   0.00000  Uiso   1.00
C1895  C     0.62127   0.25753   0.91563   0.00000  Uiso   1.00
C1896  C     0.59297   0.23891   0.91125   0.00000  Uiso   1.00
H1897  H     0.60442   0.27917   0.80964   0.00000  Uiso   1.00
H1898  H     0.57137   0.19314   0.93022   0.00000  Uiso   1.00
H1899  H     0.54814   0.22959   0.93996   0.00000  Uiso   1.00
H1900  H     0.58627   0.22128   0.96107   0.00000  Uiso   1.00
H1901  H     0.65303   0.39559   0.81990   0.00000  Uiso   1.00
H1902  H     0.70506   0.38223   0.78921   0.00000  Uiso   1.00
H1903  H     0.71884   0.32314   0.77507   0.00000  Uiso   1.00
H1904  H     0.68038   0.27757   0.79172   0.00000  Uiso   1.00
H1905  H     0.63262   0.25934   0.94064   0.00000  Uiso   1.00
S1906  S     0.04591   0.21918   0.52195   0.00000  Uiso   1.00
O1907  O     0.15911   0.18493   0.47468   0.00000  Uiso   1.00
O1908  O     0.20471   0.18456   0.50360   0.00000  Uiso   1.00
N1909  N     0.10946   0.22303   0.49099   0.00000  Uiso   1.00
N1910  N     0.17618   0.19397   0.49831   0.00000  Uiso   1.00
N1911  N     0.08175   0.22673   0.40237   0.00000  Uiso   1.00
C1912  C     0.06823   0.22354   0.42782   0.00000  Uiso   1.00
C1913  C    -0.02649   0.21677   0.51362   0.00000  Uiso   1.00
C1914  C     0.13096   0.23284   0.51726   0.00000  Uiso   1.00
C1915  C     0.16348   0.21882   0.52074   0.00000  Uiso   1.00
C1916  C     0.18341   0.22988   0.54763   0.00000  Uiso   1.00
C1917  C     0.17264   0.25462   0.56960   0.00000  Uiso   1.00
C1918  C     0.14125   0.26880   0.56556   0.00000  Uiso   1.00
C1919  C     0.12048   0.25769   0.53995   0.00000  Uiso   1.00
C1920  C     0.07471   0.22151   0.48953   0.00000  Uiso   1.00
C1921  C     0.05420   0.22122   0.46107   0.00000  Uiso   1.00
C1922  C     0.01874   0.21956   0.46756   0.00000  Uiso   1.00
C1923  C     0.00822   0.21815   0.50006   0.00000  Uiso   1.00
H1924  H     0.12163   0.21401   0.47100   0.00000  Uiso   1.00
H1925  H    -0.03221   0.23807   0.53012   0.00000  Uiso   1.00
H1926  H    -0.03114   0.19393   0.52830   0.00000  Uiso   1.00
H1927  H    -0.04451   0.21747   0.49291   0.00000  Uiso   1.00
H1928  H     0.20819   0.21852   0.55171   0.00000  Uiso   1.00
H1929  H     0.18895   0.26279   0.59019   0.00000  Uiso   1.00
H1930  H     0.13304   0.28873   0.58262   0.00000  Uiso   1.00
H1931  H     0.09578   0.26954   0.53682   0.00000  Uiso   1.00
H1932  H     0.00017   0.21991   0.44737   0.00000  Uiso   1.00
S1933  S     0.41777   0.15450   0.55615   0.00000  Uiso   1.00
O1934  O     0.31840   0.16495   0.51059   0.00000  Uiso   1.00
O1935  O     0.27544   0.19433   0.49642   0.00000  Uiso   1.00
N1936  N     0.35530   0.18247   0.56140   0.00000  Uiso   1.00
N1937  N     0.29882   0.18794   0.51498   0.00000  Uiso   1.00
N1938  N     0.36216   0.18694   0.66478   0.00000  Uiso   1.00
C1939  C     0.37470   0.17808   0.64015   0.00000  Uiso   1.00
C1940  C     0.47915   0.12948   0.58736   0.00000  Uiso   1.00
C1941  C     0.32886   0.20539   0.56745   0.00000  Uiso   1.00
C1942  C     0.30190   0.20843   0.54419   0.00000  Uiso   1.00
C1943  C     0.27721   0.23284   0.55035   0.00000  Uiso   1.00
C1944  C     0.27763   0.25280   0.57877   0.00000  Uiso   1.00
C1945  C     0.30339   0.24928   0.60166   0.00000  Uiso   1.00
C1946  C     0.32896   0.22650   0.59560   0.00000  Uiso   1.00
C1947  C     0.38384   0.17110   0.57768   0.00000  Uiso   1.00
C1948  C     0.39412   0.16840   0.61125   0.00000  Uiso   1.00
C1949  C     0.42703   0.15430   0.61605   0.00000  Uiso   1.00
C1950  C     0.44497   0.14450   0.58870   0.00000  Uiso   1.00
H1951  H     0.35475   0.17443   0.53770   0.00000  Uiso   1.00
H1952  H     0.49714   0.14531   0.57375   0.00000  Uiso   1.00
H1953  H     0.47928   0.10472   0.57526   0.00000  Uiso   1.00
H1954  H     0.48870   0.12612   0.61286   0.00000  Uiso   1.00
H1955  H     0.25684   0.23649   0.53217   0.00000  Uiso   1.00
H1956  H     0.25803   0.27162   0.58293   0.00000  Uiso   1.00
H1957  H     0.30448   0.26533   0.62400   0.00000  Uiso   1.00
H1958  H     0.34994   0.22632   0.61327   0.00000  Uiso   1.00
H1959  H     0.43783   0.15107   0.64113   0.00000  Uiso   1.00
S1960  S    -0.02271   0.93391   0.68706   0.00000  Uiso   1.00
O1961  O    -0.02805   1.03627   0.74278   0.00000  Uiso   1.00
O1962  O    -0.00419   1.07721   0.76853   0.00000  Uiso   1.00
N1963  N     0.00325   0.98024   0.73199   0.00000  Uiso   1.00
N1964  N    -0.00384   1.04939   0.75592   0.00000  Uiso   1.00
N1965  N     0.04206   0.90975   0.79278   0.00000  Uiso   1.00
C1966  C     0.02850   0.91417   0.76752   0.00000  Uiso   1.00
C1967  C    -0.03006   0.86402   0.66640   0.00000  Uiso   1.00
C1968  C     0.03095   0.99829   0.74499   0.00000  Uiso   1.00
C1969  C     0.02744   1.03193   0.75631   0.00000  Uiso   1.00
C1970  C     0.05610   1.04844   0.76857   0.00000  Uiso   1.00
C1971  C     0.08722   1.03294   0.76968   0.00000  Uiso   1.00
C1972  C     0.09062   1.00040   0.75824   0.00000  Uiso   1.00
C1973  C     0.06285   0.98343   0.74595   0.00000  Uiso   1.00
C1974  C    -0.00056   0.94713   0.72206   0.00000  Uiso   1.00
C1975  C     0.01051   0.91683   0.73618   0.00000  Uiso   1.00
C1976  C     0.00104   0.88721   0.71779   0.00000  Uiso   1.00
C1977  C    -0.01770   0.89068   0.68942   0.00000  Uiso   1.00
H1978  H    -0.01385   0.99553   0.72194   0.00000  Uiso   1.00
H1979  H    -0.02036   0.86696   0.64076   0.00000  Uiso   1.00
H1980  H    -0.05756   0.86334   0.66473   0.00000  Uiso   1.00
H1981  H    -0.02163   0.83957   0.67564   0.00000  Uiso   1.00
H1982  H     0.05417   1.07447   0.77748   0.00000  Uiso   1.00
H1983  H     0.10905   1.04645   0.77953   0.00000  Uiso   1.00
H1984  H     0.11518   0.98798   0.75890   0.00000  Uiso   1.00
H1985  H     0.06664   0.95787   0.73644   0.00000  Uiso   1.00
H1986  H     0.00786   0.86198   0.72637   0.00000  Uiso   1.00
S1987  S     0.59401   0.16655   0.59636   0.00000  Uiso   1.00
O1988  O     0.51134   0.12710   0.67120   0.00000  Uiso   1.00
O1989  O     0.46905   0.14589   0.69896   0.00000  Uiso   1.00
N1990  N     0.56345   0.16489   0.65916   0.00000  Uiso   1.00
N1991  N     0.49680   0.14902   0.68664   0.00000  Uiso   1.00
N1992  N     0.64656   0.18707   0.70935   0.00000  Uiso   1.00
C1993  C     0.63581   0.18313   0.68268   0.00000  Uiso   1.00
C1994  C     0.65464   0.17685   0.55677   0.00000  Uiso   1.00
C1995  C     0.54459   0.18872   0.67742   0.00000  Uiso   1.00
C1996  C     0.51207   0.18121   0.69000   0.00000  Uiso   1.00
C1997  C     0.49418   0.20696   0.70617   0.00000  Uiso   1.00
C1998  C     0.50765   0.23870   0.71060   0.00000  Uiso   1.00
C1999  C     0.53972   0.24550   0.69940   0.00000  Uiso   1.00
C2000  C     0.55779   0.22093   0.68276   0.00000  Uiso   1.00
C2001  C     0.59175   0.17018   0.63959   0.00000  Uiso   1.00
C2002  C     0.62471   0.17855   0.64850   0.00000  Uiso   1.00
C2003  C     0.64772   0.18135   0.62076   0.00000  Uiso   1.00
C2004  C     0.63606   0.17565   0.58913   0.00000  Uiso   1.00
H2005  H     0.54842   0.14727   0.64961   0.00000  Uiso   1.00
H2006  H     0.64460   0.19592   0.53958   0.00000  Uiso   1.00
H2007  H     0.65406   0.15274   0.54343   0.00000  Uiso   1.00
H2008  H     0.68098   0.18303   0.56152   0.00000  Uiso   1.00
H2009  H     0.46871   0.20221   0.71567   0.00000  Uiso   1.00
H2010  H     0.49312   0.25840   0.72320   0.00000  Uiso   1.00
H2011  H     0.55074   0.27032   0.70353   0.00000  Uiso   1.00
H2012  H     0.58296   0.22736   0.67365   0.00000  Uiso   1.00
H2013  H     0.67430   0.18745   0.62441   0.00000  Uiso   1.00
S2014  S     0.34057   0.75253  -0.01669   0.00000  Uiso   1.00
O2015  O     0.20616   0.72963  -0.02234   0.00000  Uiso   1.00
O2016  O     0.17243   0.72218   0.01907   0.00000  Uiso   1.00
N2017  N     0.27046   0.73596  -0.01284   0.00000  Uiso   1.00
N2018  N     0.20043   0.72539   0.00733   0.00000  Uiso   1.00
N2019  N     0.25463   0.72886  -0.10525   0.00000  Uiso   1.00
C2020  C     0.27663   0.73598  -0.08776   0.00000  Uiso   1.00
C2021  C     0.39816   0.76362  -0.06124   0.00000  Uiso   1.00
C2022  C     0.26153   0.73179   0.02125   0.00000  Uiso   1.00
C2023  C     0.22752   0.72623   0.03080   0.00000  Uiso   1.00
C2024  C     0.22042   0.72140   0.06500   0.00000  Uiso   1.00
C2025  C     0.24523   0.72226   0.08932   0.00000  Uiso   1.00
C2026  C     0.27811   0.72811   0.08009   0.00000  Uiso   1.00
C2027  C     0.28604   0.73284   0.04655   0.00000  Uiso   1.00
C2028  C     0.30020   0.74299  -0.03015   0.00000  Uiso   1.00
C2029  C     0.30396   0.74351  -0.06518   0.00000  Uiso   1.00
C2030  C     0.33714   0.75108  -0.07721   0.00000  Uiso   1.00
C2031  C     0.36193   0.75706  -0.05449   0.00000  Uiso   1.00
H2032  H     0.25060   0.73289  -0.02784   0.00000  Uiso   1.00
H2033  H     0.41425   0.74310  -0.05232   0.00000  Uiso   1.00
H2034  H     0.40744   0.78674  -0.04948   0.00000  Uiso   1.00
H2035  H     0.40201   0.76598  -0.08835   0.00000  Uiso   1.00
H2036  H     0.19448   0.71664   0.07315   0.00000  Uiso   1.00
H2037  H     0.23869   0.71851   0.11579   0.00000  Uiso   1.00
H2038  H     0.29788   0.72885   0.09923   0.00000  Uiso   1.00
H2039  H     0.31247   0.73702   0.04036   0.00000  Uiso   1.00
H2040  H     0.34291   0.75197  -0.10404   0.00000  Uiso   1.00
S2041  S     0.49886   0.73081   0.87333   0.00000  Uiso   1.00
O2042  O     0.53722   0.72489   0.98754   0.00000  Uiso   1.00
O2043  O     0.56180   0.74778   1.02984   0.00000  Uiso   1.00
N2044  N     0.52571   0.75920   0.93199   0.00000  Uiso   1.00
N2045  N     0.54946   0.74879   1.00192   0.00000  Uiso   1.00
N2046  N     0.59026   0.81640   0.88654   0.00000  Uiso   1.00
C2047  C     0.56998   0.79660   0.88021   0.00000  Uiso   1.00
C2048  C     0.50008   0.72760   0.79970   0.00000  Uiso   1.00
C2049  C     0.53575   0.78586   0.95304   0.00000  Uiso   1.00
C2050  C     0.54742   0.78092   0.98640   0.00000  Uiso   1.00
C2051  C     0.55775   0.80925   1.00473   0.00000  Uiso   1.00
C2052  C     0.55637   0.84136   0.99148   0.00000  Uiso   1.00
C2053  C     0.54398   0.84621   0.95950   0.00000  Uiso   1.00
C2054  C     0.53341   0.81889   0.94081   0.00000  Uiso   1.00
C2055  C     0.52448   0.75678   0.89712   0.00000  Uiso   1.00
C2056  C     0.54366   0.77298   0.87257   0.00000  Uiso   1.00
C2057  C     0.53608   0.76390   0.83848   0.00000  Uiso   1.00
C2058  C     0.51181   0.74055   0.83276   0.00000  Uiso   1.00
H2059  H     0.52295   0.73706   0.94357   0.00000  Uiso   1.00
H2060  H     0.47354   0.73319   0.79488   0.00000  Uiso   1.00
H2061  H     0.50336   0.70035   0.79738   0.00000  Uiso   1.00
H2062  H     0.51465   0.73944   0.77964   0.00000  Uiso   1.00
H2063  H     0.56734   0.80624   1.03045   0.00000  Uiso   1.00
H2064  H     0.56454   0.86290   1.00651   0.00000  Uiso   1.00
H2065  H     0.54228   0.87154   0.94892   0.00000  Uiso   1.00
H2066  H     0.52252   0.82375   0.91592   0.00000  Uiso   1.00
H2067  H     0.54949   0.77496   0.81716   0.00000  Uiso   1.00
S2068  S     0.39369   0.38983   0.24435   0.00000  Uiso   1.00
O2069  O     0.32178   0.30365   0.20868   0.00000  Uiso   1.00
O2070  O     0.27666   0.27418   0.21283   0.00000  Uiso   1.00
N2071  N     0.33285   0.35434   0.24896   0.00000  Uiso   1.00
N2072  N     0.29541   0.29637   0.22221   0.00000  Uiso   1.00
N2073  N     0.35466   0.31086   0.33453   0.00000  Uiso   1.00
C2074  C     0.36506   0.32975   0.31515   0.00000  Uiso   1.00
C2075  C     0.45885   0.40487   0.27556   0.00000  Uiso   1.00
C2076  C     0.30519   0.34016   0.26584   0.00000  Uiso   1.00
C2077  C     0.28692   0.31250   0.25299   0.00000  Uiso   1.00
C2078  C     0.26000   0.30021   0.27215   0.00000  Uiso   1.00
C2079  C     0.25105   0.31435   0.30268   0.00000  Uiso   1.00
C2080  C     0.26863   0.34165   0.31483   0.00000  Uiso   1.00
C2081  C     0.29526   0.35440   0.29649   0.00000  Uiso   1.00
C2082  C     0.36382   0.36361   0.26206   0.00000  Uiso   1.00
C2083  C     0.37941   0.35339   0.29185   0.00000  Uiso   1.00
C2084  C     0.41223   0.36706   0.29756   0.00000  Uiso   1.00
C2085  C     0.42545   0.38826   0.27430   0.00000  Uiso   1.00
H2086  H     0.33244   0.35094   0.22412   0.00000  Uiso   1.00
H2087  H     0.45690   0.43234   0.27515   0.00000  Uiso   1.00
H2088  H     0.47501   0.39727   0.25462   0.00000  Uiso   1.00
H2089  H     0.47165   0.39774   0.29877   0.00000  Uiso   1.00
H2090  H     0.24584   0.27834   0.26309   0.00000  Uiso   1.00
H2091  H     0.23020   0.30381   0.31711   0.00000  Uiso   1.00
H2092  H     0.26185   0.35313   0.33883   0.00000  Uiso   1.00
H2093  H     0.30886   0.37634   0.30612   0.00000  Uiso   1.00
H2094  H     0.42701   0.36035   0.31968   0.00000  Uiso   1.00
S2095  S     0.20585   0.50395   0.81190   0.00000  Uiso   1.00
O2096  O     0.18981   0.39023   0.80063   0.00000  Uiso   1.00
O2097  O     0.16071   0.34840   0.78311   0.00000  Uiso   1.00
N2098  N     0.16338   0.44944   0.80698   0.00000  Uiso   1.00
N2099  N     0.16353   0.37742   0.79207   0.00000  Uiso   1.00
N2100  N     0.09658   0.48691   0.87306   0.00000  Uiso   1.00
C2101  C     0.12201   0.49203   0.86004   0.00000  Uiso   1.00
C2102  C     0.22110   0.56940   0.84056   0.00000  Uiso   1.00
C2103  C     0.13355   0.43208   0.79914   0.00000  Uiso   1.00
C2104  C     0.13370   0.39721   0.79166   0.00000  Uiso   1.00
C2105  C     0.10303   0.38184   0.78350   0.00000  Uiso   1.00
C2106  C     0.07311   0.39954   0.78267   0.00000  Uiso   1.00
C2107  C     0.07313   0.43350   0.78955   0.00000  Uiso   1.00
C2108  C     0.10300   0.44954   0.79729   0.00000  Uiso   1.00
C2109  C     0.17016   0.48072   0.82059   0.00000  Uiso   1.00
C2110  C     0.15319   0.50092   0.84386   0.00000  Uiso   1.00
C2111  C     0.16969   0.53207   0.85178   0.00000  Uiso   1.00
C2112  C     0.19963   0.53910   0.83688   0.00000  Uiso   1.00
H2113  H     0.18423   0.43630   0.80195   0.00000  Uiso   1.00
H2114  H     0.22405   0.58300   0.81677   0.00000  Uiso   1.00
H2115  H     0.24640   0.56337   0.84968   0.00000  Uiso   1.00
H2116  H     0.20963   0.58662   0.85861   0.00000  Uiso   1.00
H2117  H     0.10251   0.35500   0.77736   0.00000  Uiso   1.00
H2118  H     0.04967   0.38677   0.77615   0.00000  Uiso   1.00
H2119  H     0.04970   0.44785   0.78880   0.00000  Uiso   1.00
H2120  H     0.10233   0.47673   0.80152   0.00000  Uiso   1.00
H2121  H     0.15903   0.55005   0.86966   0.00000  Uiso   1.00
S2122  S     0.24524   0.84292   0.46025   0.00000  Uiso   1.00
O2123  O     0.16169   0.90394   0.38605   0.00000  Uiso   1.00
O2124  O     0.10990   0.91706   0.39404   0.00000  Uiso   1.00
N2125  N     0.18946   0.85542   0.41914   0.00000  Uiso   1.00
N2126  N     0.13496   0.90085   0.40044   0.00000  Uiso   1.00
N2127  N     0.20414   0.77990   0.35939   0.00000  Uiso   1.00
C2128  C     0.21689   0.79407   0.38125   0.00000  Uiso   1.00
C2129  C     0.30497   0.80211   0.47275   0.00000  Uiso   1.00
C2130  C     0.15847   0.85545   0.43653   0.00000  Uiso   1.00
C2131  C     0.13179   0.87688   0.42683   0.00000  Uiso   1.00
C2132  C     0.10117   0.87410   0.44410   0.00000  Uiso   1.00
C2133  C     0.09679   0.85144   0.47013   0.00000  Uiso   1.00
C2134  C     0.12299   0.83084   0.47972   0.00000  Uiso   1.00
C2135  C     0.15350   0.83300   0.46316   0.00000  Uiso   1.00
C2136  C     0.21805   0.83706   0.42681   0.00000  Uiso   1.00
C2137  C     0.23221   0.80963   0.41010   0.00000  Uiso   1.00
C2138  C     0.26250   0.79662   0.42478   0.00000  Uiso   1.00
C2139  C     0.27453   0.81134   0.45319   0.00000  Uiso   1.00
H2140  H     0.18554   0.85890   0.39455   0.00000  Uiso   1.00
H2141  H     0.29902   0.79557   0.49882   0.00000  Uiso   1.00
H2142  H     0.32372   0.82226   0.47338   0.00000  Uiso   1.00
H2143  H     0.31679   0.78013   0.46132   0.00000  Uiso   1.00
H2144  H     0.07989   0.89014   0.43686   0.00000  Uiso   1.00
H2145  H     0.07258   0.84978   0.48300   0.00000  Uiso   1.00
H2146  H     0.11965   0.81284   0.50025   0.00000  Uiso   1.00
H2147  H     0.17391   0.81619   0.47097   0.00000  Uiso   1.00
H2148  H     0.27574   0.77501   0.41415   0.00000  Uiso   1.00
S2149  S     0.46239   0.09547   0.37965   0.00000  Uiso   1.00
O2150  O     0.36923   0.04419   0.30582   0.00000  Uiso   1.00
O2151  O     0.37084   0.04725   0.25192   0.00000  Uiso   1.00
N2152  N     0.40304   0.08580   0.34277   0.00000  Uiso   1.00
N2153  N     0.37800   0.05745   0.27977   0.00000  Uiso   1.00
N2154  N     0.34775   0.06128   0.42014   0.00000  Uiso   1.00
C2155  C     0.37506   0.06761   0.41247   0.00000  Uiso   1.00
C2156  C     0.49595   0.09297   0.44450   0.00000  Uiso   1.00
C2157  C     0.41092   0.10032   0.31139   0.00000  Uiso   1.00
C2158  C     0.39850   0.08676   0.28093   0.00000  Uiso   1.00
C2159  C     0.40739   0.10279   0.25079   0.00000  Uiso   1.00
C2160  C     0.42723   0.13135   0.25027   0.00000  Uiso   1.00
C2161  C     0.43884   0.14475   0.28005   0.00000  Uiso   1.00
C2162  C     0.43090   0.12928   0.31017   0.00000  Uiso   1.00
C2163  C     0.42054   0.08569   0.37282   0.00000  Uiso   1.00
C2164  C     0.40930   0.07704   0.40504   0.00000  Uiso   1.00
C2165  C     0.43438   0.07918   0.43097   0.00000  Uiso   1.00
C2166  C     0.46601   0.08903   0.42256   0.00000  Uiso   1.00
H2167  H     0.38032   0.07505   0.34310   0.00000  Uiso   1.00
H2168  H     0.51637   0.07583   0.43742   0.00000  Uiso   1.00
H2169  H     0.48899   0.08737   0.47048   0.00000  Uiso   1.00
H2170  H     0.50618   0.11857   0.44392   0.00000  Uiso   1.00
H2171  H     0.39840   0.09265   0.22674   0.00000  Uiso   1.00
H2172  H     0.43358   0.14327   0.22630   0.00000  Uiso   1.00
H2173  H     0.45407   0.16759   0.27969   0.00000  Uiso   1.00
H2174  H     0.43978   0.14089   0.33351   0.00000  Uiso   1.00
H2175  H     0.42873   0.07331   0.45722   0.00000  Uiso   1.00
S2176  S     0.83407   0.11327   0.22571   0.00000  Uiso   1.00
O2177  O     0.90099   0.20004   0.29313   0.00000  Uiso   1.00
O2178  O     0.93710   0.23191   0.26883   0.00000  Uiso   1.00
N2179  N     0.88278   0.14344   0.26696   0.00000  Uiso   1.00
N2180  N     0.92037   0.20645   0.27046   0.00000  Uiso   1.00
N2181  N     0.83632   0.12615   0.35087   0.00000  Uiso   1.00
C2182  C     0.83369   0.12200   0.32230   0.00000  Uiso   1.00
C2183  C     0.77002   0.07942   0.22030   0.00000  Uiso   1.00
C2184  C     0.90800   0.15135   0.24342   0.00000  Uiso   1.00
C2185  C     0.92612   0.18196   0.24497   0.00000  Uiso   1.00
C2186  C     0.95037   0.18814   0.22011   0.00000  Uiso   1.00
C2187  C     0.95768   0.16482   0.19535   0.00000  Uiso   1.00
C2188  C     0.94058   0.13467   0.19447   0.00000  Uiso   1.00
C2189  C     0.91586   0.12820   0.21806   0.00000  Uiso   1.00
C2190  C     0.85271   0.12640   0.26267   0.00000  Uiso   1.00
C2191  C     0.82923   0.11635   0.28683   0.00000  Uiso   1.00
C2192  C     0.79986   0.09978   0.27395   0.00000  Uiso   1.00
C2193  C     0.79721   0.09525   0.24021   0.00000  Uiso   1.00
H2194  H     0.88524   0.15572   0.28861   0.00000  Uiso   1.00
H2195  H     0.77897   0.05781   0.20571   0.00000  Uiso   1.00
H2196  H     0.75883   0.09724   0.20251   0.00000  Uiso   1.00
H2197  H     0.75016   0.07073   0.23712   0.00000  Uiso   1.00
H2198  H     0.96447   0.21188   0.22026   0.00000  Uiso   1.00
H2199  H     0.97719   0.17017   0.17671   0.00000  Uiso   1.00
H2200  H     0.94652   0.11603   0.17518   0.00000  Uiso   1.00
H2201  H     0.90300   0.10383   0.21747   0.00000  Uiso   1.00
H2202  H     0.77963   0.09131   0.29049   0.00000  Uiso   1.00
S2203  S     0.56342   0.60273   0.99311   0.00000  Uiso   1.00
O2204  O     0.54652   0.47112   1.01431   0.00000  Uiso   1.00
O2205  O     0.51746   0.43764   0.98365   0.00000  Uiso   1.00
N2206  N     0.54234   0.53569   1.00668   0.00000  Uiso   1.00
N2207  N     0.52565   0.46557   0.99275   0.00000  Uiso   1.00
N2208  N     0.58197   0.52707   1.09183   0.00000  Uiso   1.00
C2209  C     0.58019   0.54717   1.07100   0.00000  Uiso   1.00
C2210  C     0.59944   0.66135   1.01722   0.00000  Uiso   1.00
C2211  C     0.51755   0.52709   0.98290   0.00000  Uiso   1.00
C2212  C     0.50910   0.49297   0.97667   0.00000  Uiso   1.00
C2213  C     0.48348   0.48611   0.95340   0.00000  Uiso   1.00
C2214  C     0.46688   0.51137   0.93621   0.00000  Uiso   1.00
C2215  C     0.47525   0.54446   0.94220   0.00000  Uiso   1.00
C2216  C     0.50013   0.55210   0.96530   0.00000  Uiso   1.00
C2217  C     0.55895   0.56535   1.01495   0.00000  Uiso   1.00
C2218  C     0.57712   0.57166   1.04445   0.00000  Uiso   1.00
C2219  C     0.59205   0.60441   1.04677   0.00000  Uiso   1.00
C2220  C     0.58779   0.62610   1.02070   0.00000  Uiso   1.00
H2221  H     0.54797   0.51618   1.02133   0.00000  Uiso   1.00
H2222  H     0.57860   0.67924   1.01687   0.00000  Uiso   1.00
H2223  H     0.61374   0.66567   0.99414   0.00000  Uiso   1.00
H2224  H     0.61560   0.66822   1.03830   0.00000  Uiso   1.00
H2225  H     0.47602   0.45994   0.94862   0.00000  Uiso   1.00
H2226  H     0.44749   0.50508   0.91772   0.00000  Uiso   1.00
H2227  H     0.46210   0.56455   0.92880   0.00000  Uiso   1.00
H2228  H     0.50575   0.57861   0.96980   0.00000  Uiso   1.00
H2229  H     0.60643   0.61233   1.06881   0.00000  Uiso   1.00
S2230  S     0.09200   0.59054   0.36818   0.00000  Uiso   1.00
O2231  O    -0.04159   0.60827   0.37658   0.00000  Uiso   1.00
O2232  O    -0.07664   0.58487   0.34285   0.00000  Uiso   1.00
N2233  N     0.02246   0.60666   0.36379   0.00000  Uiso   1.00
N2234  N    -0.04865   0.59447   0.35031   0.00000  Uiso   1.00
N2235  N     0.01888   0.66750   0.43538   0.00000  Uiso   1.00
C2236  C     0.03876   0.65011   0.42328   0.00000  Uiso   1.00
C2237  C     0.15500   0.60093   0.40399   0.00000  Uiso   1.00
C2238  C     0.01124   0.59699   0.33163   0.00000  Uiso   1.00
C2239  C    -0.02338   0.59111   0.32517   0.00000  Uiso   1.00
C2240  C    -0.03290   0.58169   0.29256   0.00000  Uiso   1.00
C2241  C    -0.00974   0.57915   0.26676   0.00000  Uiso   1.00
C2242  C     0.02371   0.58566   0.27291   0.00000  Uiso   1.00
C2243  C     0.03412   0.59408   0.30499   0.00000  Uiso   1.00
C2244  C     0.05411   0.60932   0.37845   0.00000  Uiso   1.00
C2245  C     0.06271   0.62864   0.40659   0.00000  Uiso   1.00
C2246  C     0.09726   0.62660   0.41683   0.00000  Uiso   1.00
C2247  C     0.11845   0.60664   0.39891   0.00000  Uiso   1.00
H2248  H     0.00371   0.61444   0.37849   0.00000  Uiso   1.00
H2249  H     0.16994   0.60965   0.38252   0.00000  Uiso   1.00
H2250  H     0.16111   0.57436   0.40799   0.00000  Uiso   1.00
H2251  H     0.16342   0.61484   0.42612   0.00000  Uiso   1.00
H2252  H    -0.05950   0.57682   0.28695   0.00000  Uiso   1.00
H2253  H    -0.01792   0.57228   0.24146   0.00000  Uiso   1.00
H2254  H     0.04188   0.58428   0.25239   0.00000  Uiso   1.00
H2255  H     0.06085   0.59926   0.30895   0.00000  Uiso   1.00
H2256  H     0.10687   0.64081   0.43829   0.00000  Uiso   1.00
S2257  S     0.91949   0.52083   0.63809   0.00000  Uiso   1.00
O2258  O     0.87623   0.54600   0.75524   0.00000  Uiso   1.00
O2259  O     0.85912   0.59613   0.76550   0.00000  Uiso   1.00
N2260  N     0.91888   0.53448   0.70739   0.00000  Uiso   1.00
N2261  N     0.87787   0.57627   0.75193   0.00000  Uiso   1.00
N2262  N     0.91288   0.44323   0.73673   0.00000  Uiso   1.00
C2263  C     0.91435   0.45801   0.71183   0.00000  Uiso   1.00
C2264  C     0.91641   0.47124   0.58495   0.00000  Uiso   1.00
C2265  C     0.92083   0.56984   0.70684   0.00000  Uiso   1.00
C2266  C     0.90120   0.59007   0.72859   0.00000  Uiso   1.00
C2267  C     0.90465   0.62508   0.72628   0.00000  Uiso   1.00
C2268  C     0.92673   0.63999   0.70393   0.00000  Uiso   1.00
C2269  C     0.94566   0.62022   0.68267   0.00000  Uiso   1.00
C2270  C     0.94267   0.58561   0.68414   0.00000  Uiso   1.00
C2271  C     0.91869   0.51213   0.68069   0.00000  Uiso   1.00
C2272  C     0.91635   0.47705   0.68117   0.00000  Uiso   1.00
C2273  C     0.91569   0.46112   0.64880   0.00000  Uiso   1.00
C2274  C     0.91706   0.48086   0.62095   0.00000  Uiso   1.00
H2275  H     0.91092   0.52547   0.72943   0.00000  Uiso   1.00
H2276  H     0.93939   0.47874   0.57171   0.00000  Uiso   1.00
H2277  H     0.89519   0.48263   0.57162   0.00000  Uiso   1.00
H2278  H     0.91403   0.44397   0.58260   0.00000  Uiso   1.00
H2279  H     0.88986   0.64138   0.74289   0.00000  Uiso   1.00
H2280  H     0.92938   0.66735   0.70339   0.00000  Uiso   1.00
H2281  H     0.96313   0.63188   0.66493   0.00000  Uiso   1.00
H2282  H     0.95876   0.57044   0.66774   0.00000  Uiso   1.00
H2283  H     0.91361   0.43384   0.64598   0.00000  Uiso   1.00
S2284  S     0.24306   0.01259   0.93922   0.00000  Uiso   1.00
O2285  O     0.21635   0.09704   1.02337   0.00000  Uiso   1.00
O2286  O     0.18338   0.13684   1.03895   0.00000  Uiso   1.00
N2287  N     0.21084   0.06978   0.96425   0.00000  Uiso   1.00
N2288  N     0.19247   0.11553   1.01906   0.00000  Uiso   1.00
N2289  N     0.23760   0.12843   0.88926   0.00000  Uiso   1.00
C2290  C     0.23955   0.10119   0.89908   0.00000  Uiso   1.00
C2291  C     0.28258  -0.01784   0.88540   0.00000  Uiso   1.00
C2292  C     0.18397   0.09296   0.96121   0.00000  Uiso   1.00
C2293  C     0.17468   0.11444   0.98798   0.00000  Uiso   1.00
C2294  C     0.14688   0.13568   0.98334   0.00000  Uiso   1.00
C2295  C     0.12841   0.13561   0.95386   0.00000  Uiso   1.00
C2296  C     0.13761   0.11464   0.92784   0.00000  Uiso   1.00
C2297  C     0.16526   0.09385   0.93147   0.00000  Uiso   1.00
C2298  C     0.22958   0.05393   0.93957   0.00000  Uiso   1.00
C2299  C     0.24301   0.06670   0.90962   0.00000  Uiso   1.00
C2300  C     0.26169   0.04290   0.88988   0.00000  Uiso   1.00
C2301  C     0.26508   0.01095   0.90155   0.00000  Uiso   1.00
H2302  H     0.20939   0.05676   0.98582   0.00000  Uiso   1.00
H2303  H     0.26538  -0.03856   0.87950   0.00000  Uiso   1.00
H2304  H     0.30271  -0.02821   0.90112   0.00000  Uiso   1.00
H2305  H     0.29396  -0.00960   0.86180   0.00000  Uiso   1.00
H2306  H     0.13894   0.15246   1.00378   0.00000  Uiso   1.00
H2307  H     0.10633   0.15178   0.95138   0.00000  Uiso   1.00
H2308  H     0.12282   0.11406   0.90468   0.00000  Uiso   1.00
H2309  H     0.17182   0.07704   0.91065   0.00000  Uiso   1.00
H2310  H     0.27360   0.04993   0.86611   0.00000  Uiso   1.00
S2311  S     0.10685   0.05811   0.37309   0.00000  Uiso   1.00
O2312  O     0.08165  -0.03879   0.45613   0.00000  Uiso   1.00
O2313  O     0.11487  -0.06200   0.49165   0.00000  Uiso   1.00
N2314  N     0.10441  -0.00527   0.40555   0.00000  Uiso   1.00
N2315  N     0.10953  -0.04602   0.46620   0.00000  Uiso   1.00
N2316  N     0.04263  -0.04694   0.34696   0.00000  Uiso   1.00
C2317  C     0.05574  -0.02119   0.34974   0.00000  Uiso   1.00
C2318  C     0.07778   0.10091   0.32101   0.00000  Uiso   1.00
C2319  C     0.13586  -0.01262   0.42018   0.00000  Uiso   1.00
C2320  C     0.13831  -0.03379   0.44871   0.00000  Uiso   1.00
C2321  C     0.17046  -0.04325   0.45961   0.00000  Uiso   1.00
C2322  C     0.19931  -0.03139   0.44420   0.00000  Uiso   1.00
C2323  C     0.19678  -0.00915   0.41770   0.00000  Uiso   1.00
C2324  C     0.16540  -0.00011   0.40570   0.00000  Uiso   1.00
C2325  C     0.09544   0.01665   0.37989   0.00000  Uiso   1.00
C2326  C     0.07246   0.01069   0.35391   0.00000  Uiso   1.00
C2327  C     0.06643   0.03866   0.33192   0.00000  Uiso   1.00
C2328  C     0.08289   0.06802   0.33794   0.00000  Uiso   1.00
H2329  H     0.08827  -0.02423   0.40865   0.00000  Uiso   1.00
H2330  H     0.10140   0.11272   0.31312   0.00000  Uiso   1.00
H2331  H     0.06470   0.11867   0.33756   0.00000  Uiso   1.00
H2332  H     0.06219   0.09729   0.29868   0.00000  Uiso   1.00
H2333  H     0.17289  -0.06134   0.48029   0.00000  Uiso   1.00
H2334  H     0.22406  -0.03972   0.45289   0.00000  Uiso   1.00
H2335  H     0.21951   0.00037   0.40545   0.00000  Uiso   1.00
H2336  H     0.16398   0.01637   0.38365   0.00000  Uiso   1.00
H2337  H     0.04880   0.03718   0.31090   0.00000  Uiso   1.00
S2338  S     0.38955   0.22820   0.83804   0.00000  Uiso   1.00
O2339  O     0.46481   0.13913   0.83865   0.00000  Uiso   1.00
O2340  O     0.50814   0.11380   0.85871   0.00000  Uiso   1.00
N2341  N     0.44670   0.19678   0.86251   0.00000  Uiso   1.00
N2342  N     0.48697   0.13577   0.85936   0.00000  Uiso   1.00
N2343  N     0.49422   0.28092   0.88487   0.00000  Uiso   1.00
C2344  C     0.46908   0.27130   0.87402   0.00000  Uiso   1.00
C2345  C     0.35298   0.29045   0.82545   0.00000  Uiso   1.00
C2346  C     0.46786   0.18721   0.88938   0.00000  Uiso   1.00
C2347  C     0.48733   0.15745   0.88774   0.00000  Uiso   1.00
C2348  C     0.50777   0.14939   0.91527   0.00000  Uiso   1.00
C2349  C     0.50767   0.16846   0.94432   0.00000  Uiso   1.00
C2350  C     0.48808   0.19696   0.94620   0.00000  Uiso   1.00
C2351  C     0.46892   0.20646   0.91880   0.00000  Uiso   1.00
C2352  C     0.42909   0.22603   0.85595   0.00000  Uiso   1.00
C2353  C     0.43731   0.25991   0.86086   0.00000  Uiso   1.00
C2354  C     0.41172   0.28329   0.85082   0.00000  Uiso   1.00
C2355  C     0.38282   0.27127   0.83711   0.00000  Uiso   1.00
H2356  H     0.43701   0.17691   0.85068   0.00000  Uiso   1.00
H2357  H     0.33050   0.28492   0.84040   0.00000  Uiso   1.00
H2358  H     0.34681   0.28528   0.79911   0.00000  Uiso   1.00
H2359  H     0.35801   0.31736   0.82762   0.00000  Uiso   1.00
H2360  H     0.52413   0.12722   0.91429   0.00000  Uiso   1.00
H2361  H     0.52329   0.16110   0.96570   0.00000  Uiso   1.00
H2362  H     0.48818   0.21219   0.96909   0.00000  Uiso   1.00
H2363  H     0.45376   0.22930   0.92102   0.00000  Uiso   1.00
H2364  H     0.41494   0.31042   0.85361   0.00000  Uiso   1.00
S2365  S     0.81834   0.90119   0.37626   0.00000  Uiso   1.00
O2366  O     0.72528   0.84974   0.33273   0.00000  Uiso   1.00
O2367  O     0.67641   0.86406   0.31500   0.00000  Uiso   1.00
N2368  N     0.75282   0.87869   0.38353   0.00000  Uiso   1.00
N2369  N     0.69956   0.86596   0.33475   0.00000  Uiso   1.00
N2370  N     0.75489   0.87168   0.48103   0.00000  Uiso   1.00
C2371  C     0.77224   0.87949   0.45912   0.00000  Uiso   1.00
C2372  C     0.88033   0.92373   0.40701   0.00000  Uiso   1.00
C2373  C     0.72114   0.89449   0.38629   0.00000  Uiso   1.00
C2374  C     0.69556   0.88860   0.36214   0.00000  Uiso   1.00
C2375  C     0.66521   0.90616   0.36544   0.00000  Uiso   1.00
C2376  C     0.65937   0.92825   0.39161   0.00000  Uiso   1.00
C2377  C     0.68409   0.93368   0.41526   0.00000  Uiso   1.00
C2378  C     0.71462   0.91725   0.41240   0.00000  Uiso   1.00
C2379  C     0.78311   0.88794   0.39791   0.00000  Uiso   1.00
C2380  C     0.79342   0.88948   0.43147   0.00000  Uiso   1.00
C2381  C     0.82722   0.90134   0.43646   0.00000  Uiso   1.00
C2382  C     0.84597   0.90931   0.40897   0.00000  Uiso   1.00
H2383  H     0.75596   0.86957   0.36034   0.00000  Uiso   1.00
H2384  H     0.88019   0.94946   0.39712   0.00000  Uiso   1.00
H2385  H     0.89737   0.90897   0.39116   0.00000  Uiso   1.00
H2386  H     0.89130   0.92476   0.43208   0.00000  Uiso   1.00
H2387  H     0.64530   0.90263   0.34674   0.00000  Uiso   1.00
H2388  H     0.63532   0.94151   0.39324   0.00000  Uiso   1.00
H2389  H     0.67974   0.95121   0.43599   0.00000  Uiso   1.00
H2390  H     0.73380   0.92282   0.43129   0.00000  Uiso   1.00
H2391  H     0.83815   0.90399   0.46157   0.00000  Uiso   1.00
S2392  S     0.71991   0.76459   0.97474   0.00000  Uiso   1.00
O2393  O     0.73036   0.66519   0.91316   0.00000  Uiso   1.00
O2394  O     0.76337   0.63114   0.88741   0.00000  Uiso   1.00
N2395  N     0.74688   0.72754   0.92206   0.00000  Uiso   1.00
N2396  N     0.75667   0.65845   0.89924   0.00000  Uiso   1.00
N2397  N     0.75416   0.80478   0.86018   0.00000  Uiso   1.00
C2398  C     0.74687   0.79757   0.88734   0.00000  Uiso   1.00
C2399  C     0.69690   0.82900   1.00037   0.00000  Uiso   1.00
C2400  C     0.77737   0.71715   0.90717   0.00000  Uiso   1.00
C2401  C     0.78212   0.68350   0.89641   0.00000  Uiso   1.00
C2402  C     0.81332   0.67478   0.88247   0.00000  Uiso   1.00
C2403  C     0.83920   0.69778   0.87927   0.00000  Uiso   1.00
C2404  C     0.83462   0.73036   0.89016   0.00000  Uiso   1.00
C2405  C     0.80407   0.73986   0.90382   0.00000  Uiso   1.00
C2406  C     0.73707   0.75816   0.93534   0.00000  Uiso   1.00
C2407  C     0.73679   0.79039   0.92140   0.00000  Uiso   1.00
C2408  C     0.72395   0.81629   0.94309   0.00000  Uiso   1.00
C2409  C     0.71289   0.80762   0.97426   0.00000  Uiso   1.00
H2410  H     0.73445   0.70821   0.93208   0.00000  Uiso   1.00
H2411  H     0.70906   0.82643   1.02493   0.00000  Uiso   1.00
H2412  H     0.67027   0.82279   1.00397   0.00000  Uiso   1.00
H2413  H     0.69828   0.85537   0.99285   0.00000  Uiso   1.00
H2414  H     0.81793   0.64882   0.87442   0.00000  Uiso   1.00
H2415  H     0.86334   0.69000   0.86861   0.00000  Uiso   1.00
H2416  H     0.85522   0.74849   0.88846   0.00000  Uiso   1.00
H2417  H     0.80140   0.76570   0.91289   0.00000  Uiso   1.00
H2418  H     0.72208   0.84246   0.93495   0.00000  Uiso   1.00
S2419  S     0.43086   1.03188   0.73923   0.00000  Uiso   1.00
O2420  O     0.46703   0.91905   0.73671   0.00000  Uiso   1.00
O2421  O     0.50714   0.88555   0.75031   0.00000  Uiso   1.00
N2422  N     0.47778   0.98206   0.72667   0.00000  Uiso   1.00
N2423  N     0.49656   0.91255   0.74082   0.00000  Uiso   1.00
N2424  N     0.50933   1.02420   0.64046   0.00000  Uiso   1.00
C2425  C     0.49121   1.02682   0.66298   0.00000  Uiso   1.00
C2426  C     0.39961   1.09501   0.71894   0.00000  Uiso   1.00
C2427  C     0.51183   0.97196   0.72797   0.00000  Uiso   1.00
C2428  C     0.52082   0.93830   0.73547   0.00000  Uiso   1.00
C2429  C     0.55508   0.93028   0.73767   0.00000  Uiso   1.00
C2430  C     0.57987   0.95410   0.73252   0.00000  Uiso   1.00
C2431  C     0.57103   0.98684   0.72536   0.00000  Uiso   1.00
C2432  C     0.53742   0.99561   0.72328   0.00000  Uiso   1.00
C2433  C     0.46285   1.01208   0.71751   0.00000  Uiso   1.00
C2434  C     0.46765   1.03319   0.68977   0.00000  Uiso   1.00
C2435  C     0.44618   1.06221   0.68886   0.00000  Uiso   1.00
C2436  C     0.42350   1.06672   0.71401   0.00000  Uiso   1.00
H2437  H     0.46380   0.96880   0.74270   0.00000  Uiso   1.00
H2438  H     0.40535   1.10953   0.74165   0.00000  Uiso   1.00
H2439  H     0.37346   1.08661   0.72102   0.00000  Uiso   1.00
H2440  H     0.40111   1.11210   0.69750   0.00000  Uiso   1.00
H2441  H     0.56275   0.90434   0.74312   0.00000  Uiso   1.00
H2442  H     0.60644   0.94706   0.73391   0.00000  Uiso   1.00
H2443  H     0.59072   1.00565   0.72139   0.00000  Uiso   1.00
H2444  H     0.53106   1.02192   0.71838   0.00000  Uiso   1.00
H2445  H     0.44729   1.08047   0.66836   0.00000  Uiso   1.00
S2446  S     0.77423   0.36422   1.02047   0.00000  Uiso   1.00
O2447  O     0.79304   0.24387   1.02126   0.00000  Uiso   1.00
O2448  O     0.82221   0.20178   1.00422   0.00000  Uiso   1.00
N2449  N     0.80707   0.30458   1.00260   0.00000  Uiso   1.00
N2450  N     0.81626   0.23167   1.00571   0.00000  Uiso   1.00
N2451  N     0.77743   0.30236   0.91066   0.00000  Uiso   1.00
C2452  C     0.77578   0.31965   0.93393   0.00000  Uiso   1.00
C2453  C     0.73275   0.42079   0.99905   0.00000  Uiso   1.00
C2454  C     0.83087   0.28762   0.98222   0.00000  Uiso   1.00
C2455  C     0.83608   0.25264   0.98456   0.00000  Uiso   1.00
C2456  C     0.86151   0.23826   0.96478   0.00000  Uiso   1.00
C2457  C     0.88076   0.25729   0.94291   0.00000  Uiso   1.00
C2458  C     0.87492   0.29135   0.94006   0.00000  Uiso   1.00
C2459  C     0.85031   0.30624   0.95964   0.00000  Uiso   1.00
C2460  C     0.78755   0.33215   0.99439   0.00000  Uiso   1.00
C2461  C     0.77308   0.34065   0.96342   0.00000  Uiso   1.00
C2462  C     0.75409   0.37139   0.96351   0.00000  Uiso   1.00
C2463  C     0.75106   0.38880   0.99280   0.00000  Uiso   1.00
H2464  H     0.81182   0.30217   1.02717   0.00000  Uiso   1.00
H2465  H     0.74936   0.44133   1.00676   0.00000  Uiso   1.00
H2466  H     0.71354   0.41823   1.01863   0.00000  Uiso   1.00
H2467  H     0.72005   0.42869   0.97601   0.00000  Uiso   1.00
H2468  H     0.86640   0.21119   0.96665   0.00000  Uiso   1.00
H2469  H     0.90039   0.24542   0.92775   0.00000  Uiso   1.00
H2470  H     0.88991   0.30659   0.92278   0.00000  Uiso   1.00
H2471  H     0.84671   0.33352   0.95788   0.00000  Uiso   1.00
H2472  H     0.74147   0.38063   0.94090   0.00000  Uiso   1.00
S2473  S     0.67610   0.59018   0.87944   0.00000  Uiso   1.00
O2474  O     0.79929   0.57959   0.84242   0.00000  Uiso   1.00
O2475  O     0.82218   0.62021   0.81525   0.00000  Uiso   1.00
N2476  N     0.73446   0.57236   0.84281   0.00000  Uiso   1.00
N2477  N     0.79812   0.60317   0.82308   0.00000  Uiso   1.00
N2478  N     0.75074   0.48907   0.88690   0.00000  Uiso   1.00
C2479  C     0.73224   0.51140   0.88847   0.00000  Uiso   1.00
C2480  C     0.62899   0.57187   0.93247   0.00000  Uiso   1.00
C2481  C     0.73589   0.59790   0.81838   0.00000  Uiso   1.00
C2482  C     0.76679   0.61276   0.80868   0.00000  Uiso   1.00
C2483  C     0.76601   0.63838   0.78445   0.00000  Uiso   1.00
C2484  C     0.73627   0.64884   0.76973   0.00000  Uiso   1.00
C2485  C     0.70633   0.63390   0.77884   0.00000  Uiso   1.00
C2486  C     0.70617   0.60889   0.80299   0.00000  Uiso   1.00
C2487  C     0.71046   0.56622   0.86744   0.00000  Uiso   1.00
C2488  C     0.70859   0.53882   0.88939   0.00000  Uiso   1.00
C2489  C     0.68088   0.53938   0.91250   0.00000  Uiso   1.00
C2490  C     0.65940   0.56596   0.91165   0.00000  Uiso   1.00
H2491  H     0.75685   0.56211   0.84730   0.00000  Uiso   1.00
H2492  H     0.60595   0.57210   0.91738   0.00000  Uiso   1.00
H2493  H     0.63006   0.59579   0.94612   0.00000  Uiso   1.00
H2494  H     0.62655   0.55174   0.95099   0.00000  Uiso   1.00
H2495  H     0.78945   0.65080   0.77680   0.00000  Uiso   1.00
H2496  H     0.73640   0.66916   0.75116   0.00000  Uiso   1.00
H2497  H     0.68268   0.64217   0.76747   0.00000  Uiso   1.00
H2498  H     0.68207   0.59732   0.80967   0.00000  Uiso   1.00
H2499  H     0.67644   0.51897   0.93037   0.00000  Uiso   1.00
S2500  S     0.18232   0.44924   0.01587   0.00000  Uiso   1.00
O2501  O     0.19986   0.43344   0.13076   0.00000  Uiso   1.00
O2502  O     0.18129   0.43330   0.18148   0.00000  Uiso   1.00
N2503  N     0.16588   0.46139   0.08244   0.00000  Uiso   1.00
N2504  N     0.17868   0.43984   0.15177   0.00000  Uiso   1.00
N2505  N     0.13918   0.55644   0.06631   0.00000  Uiso   1.00
C2506  C     0.14794   0.53232   0.05282   0.00000  Uiso   1.00
C2507  C     0.18452   0.47272  -0.05346   0.00000  Uiso   1.00
C2508  C     0.14185   0.46606   0.10819   0.00000  Uiso   1.00
C2509  C     0.14802   0.45532   0.14164   0.00000  Uiso   1.00
C2510  C     0.12273   0.46041   0.16573   0.00000  Uiso   1.00
C2511  C     0.09236   0.47531   0.15769   0.00000  Uiso   1.00
C2512  C     0.08641   0.48551   0.12512   0.00000  Uiso   1.00
C2513  C     0.11071   0.48067   0.10072   0.00000  Uiso   1.00
C2514  C     0.16765   0.47251   0.04950   0.00000  Uiso   1.00
C2515  C     0.15953   0.50332   0.03454   0.00000  Uiso   1.00
C2516  C     0.16487   0.50489  -0.00116   0.00000  Uiso   1.00
C2517  C     0.17763   0.47747  -0.01706   0.00000  Uiso   1.00
H2518  H     0.18084   0.44178   0.08694   0.00000  Uiso   1.00
H2519  H     0.16917   0.45260  -0.06444   0.00000  Uiso   1.00
H2520  H     0.21086   0.46648  -0.05852   0.00000  Uiso   1.00
H2521  H     0.17871   0.49587  -0.06704   0.00000  Uiso   1.00
H2522  H     0.12692   0.45241   0.19181   0.00000  Uiso   1.00
H2523  H     0.07313   0.47892   0.17702   0.00000  Uiso   1.00
H2524  H     0.06255   0.49743   0.11847   0.00000  Uiso   1.00
H2525  H     0.10484   0.48833   0.07493   0.00000  Uiso   1.00
H2526  H     0.15940   0.52756  -0.01574   0.00000  Uiso   1.00
S2527  S     0.94587   0.63381   0.13233   0.00000  Uiso   1.00
O2528  O     0.83576   0.66425   0.09731   0.00000  Uiso   1.00
O2529  O     0.79715   0.70190   0.09502   0.00000  Uiso   1.00
N2530  N     0.88638   0.67017   0.13776   0.00000  Uiso   1.00
N2531  N     0.82365   0.69102   0.10557   0.00000  Uiso   1.00
N2532  N     0.88307   0.66687   0.23658   0.00000  Uiso   1.00
C2533  C     0.89981   0.65976   0.21394   0.00000  Uiso   1.00
C2534  C     1.00176   0.60066   0.16566   0.00000  Uiso   1.00
C2535  C     0.87149   0.70162   0.14470   0.00000  Uiso   1.00
C2536  C     0.84139   0.71187   0.12865   0.00000  Uiso   1.00
C2537  C     0.82874   0.74395   0.13603   0.00000  Uiso   1.00
C2538  C     0.84469   0.76539   0.15830   0.00000  Uiso   1.00
C2539  C     0.87387   0.75525   0.17403   0.00000  Uiso   1.00
C2540  C     0.88709   0.72382   0.16717   0.00000  Uiso   1.00
C2541  C     0.91329   0.65403   0.15272   0.00000  Uiso   1.00
C2542  C     0.92103   0.64898   0.18664   0.00000  Uiso   1.00
C2543  C     0.95149   0.63063   0.19278   0.00000  Uiso   1.00
C2544  C     0.96955   0.61945   0.16601   0.00000  Uiso   1.00
H2545  H     0.88155   0.66218   0.11449   0.00000  Uiso   1.00
H2546  H     1.02195   0.61521   0.15380   0.00000  Uiso   1.00
H2547  H     0.99990   0.57674   0.15209   0.00000  Uiso   1.00
H2548  H     1.00946   0.59510   0.19138   0.00000  Uiso   1.00
H2549  H     0.80557   0.75264   0.12381   0.00000  Uiso   1.00
H2550  H     0.83431   0.79039   0.16313   0.00000  Uiso   1.00
H2551  H     0.88679   0.77216   0.19143   0.00000  Uiso   1.00
H2552  H     0.91084   0.71685   0.17925   0.00000  Uiso   1.00
H2553  H     0.96023   0.62522   0.21825   0.00000  Uiso   1.00
S2554  S     0.89853   0.91121   0.81835   0.00000  Uiso   1.00
O2555  O     0.81865   0.95887   0.89568   0.00000  Uiso   1.00
O2556  O     0.79457   1.00467   0.91097   0.00000  Uiso   1.00
N2557  N     0.87542   0.95925   0.86356   0.00000  Uiso   1.00
N2558  N     0.81775   0.98922   0.89849   0.00000  Uiso   1.00
N2559  N     0.96131   0.97253   0.90884   0.00000  Uiso   1.00
C2560  C     0.94965   0.95733   0.88705   0.00000  Uiso   1.00
C2561  C     0.95381   0.87202   0.79200   0.00000  Uiso   1.00
C2562  C     0.87362   0.99407   0.87031   0.00000  Uiso   1.00
C2563  C     0.84533   1.00859   0.88644   0.00000  Uiso   1.00
C2564  C     0.84475   1.04359   0.89071   0.00000  Uiso   1.00
C2565  C     0.87100   1.06379   0.88011   0.00000  Uiso   1.00
C2566  C     0.89875   1.04957   0.86502   0.00000  Uiso   1.00
C2567  C     0.89985   1.01518   0.86000   0.00000  Uiso   1.00
C2568  C     0.90145   0.94012   0.85061   0.00000  Uiso   1.00
C2569  C     0.93538   0.93826   0.85973   0.00000  Uiso   1.00
C2570  C     0.95509   0.91497   0.84035   0.00000  Uiso   1.00
C2571  C     0.93960   0.89693   0.81578   0.00000  Uiso   1.00
H2572  H     0.85275   0.94931   0.85977   0.00000  Uiso   1.00
H2573  H     0.95179   0.88036   0.76585   0.00000  Uiso   1.00
H2574  H     0.94124   0.84759   0.79352   0.00000  Uiso   1.00
H2575  H     0.98037   0.86801   0.79766   0.00000  Uiso   1.00
H2576  H     0.82315   1.05567   0.90298   0.00000  Uiso   1.00
H2577  H     0.86983   1.09099   0.88397   0.00000  Uiso   1.00
H2578  H     0.91978   1.06543   0.85709   0.00000  Uiso   1.00
H2579  H     0.92196   1.00472   0.84736   0.00000  Uiso   1.00
H2580  H     0.98195   0.91120   0.84496   0.00000  Uiso   1.00
S2581  S     0.73814   0.10148   0.72078   0.00000  Uiso   1.00
O2582  O     0.66947   0.10555   0.63095   0.00000  Uiso   1.00
O2583  O     0.62405   0.09395   0.60416   0.00000  Uiso   1.00
N2584  N     0.67475   0.09225   0.69443   0.00000  Uiso   1.00
N2585  N     0.64058   0.09578   0.62974   0.00000  Uiso   1.00
N2586  N     0.65589   0.01094   0.75248   0.00000  Uiso   1.00
C2587  C     0.67549   0.03128   0.74592   0.00000  Uiso   1.00
C2588  C     0.79046   0.08043   0.76783   0.00000  Uiso   1.00
C2589  C     0.63989   0.08671   0.69171   0.00000  Uiso   1.00
C2590  C     0.62331   0.08855   0.66022   0.00000  Uiso   1.00
C2591  C     0.58857   0.08256   0.65937   0.00000  Uiso   1.00
C2592  C     0.57025   0.07649   0.68828   0.00000  Uiso   1.00
C2593  C     0.58632   0.07552   0.71896   0.00000  Uiso   1.00
C2594  C     0.62075   0.08012   0.72046   0.00000  Uiso   1.00
C2595  C     0.69932   0.08231   0.71689   0.00000  Uiso   1.00
C2596  C     0.70133   0.05599   0.74013   0.00000  Uiso   1.00
C2597  C     0.73252   0.05423   0.75821   0.00000  Uiso   1.00
C2598  C     0.75693   0.07718   0.75166   0.00000  Uiso   1.00
H2599  H     0.68393   0.10499   0.67499   0.00000  Uiso   1.00
H2600  H     0.79363   0.10468   0.78054   0.00000  Uiso   1.00
H2601  H     0.81121   0.07781   0.74992   0.00000  Uiso   1.00
H2602  H     0.79332   0.06081   0.78685   0.00000  Uiso   1.00
H2603  H     0.57517   0.08271   0.63526   0.00000  Uiso   1.00
H2604  H     0.54315   0.07228   0.68681   0.00000  Uiso   1.00
H2605  H     0.57209   0.07066   0.74196   0.00000  Uiso   1.00
H2606  H     0.63288   0.07919   0.74513   0.00000  Uiso   1.00
H2607  H     0.73709   0.03468   0.77689   0.00000  Uiso   1.00
S2608  S     0.12591   0.28119   0.95267   0.00000  Uiso   1.00
O2609  O     0.19243   0.22198   0.87465   0.00000  Uiso   1.00
O2610  O     0.20760   0.23498   0.82447   0.00000  Uiso   1.00
N2611  N     0.13318   0.23856   0.89745   0.00000  Uiso   1.00
N2612  N     0.18755   0.23500   0.84749   0.00000  Uiso   1.00
N2613  N     0.05773   0.18206   0.91620   0.00000  Uiso   1.00
C2614  C     0.07021   0.20583   0.92718   0.00000  Uiso   1.00
C2615  C     0.08816   0.29988   1.01190   0.00000  Uiso   1.00
C2616  C     0.13100   0.25493   0.86611   0.00000  Uiso   1.00
C2617  C     0.15721   0.25321   0.84205   0.00000  Uiso   1.00
C2618  C     0.15275   0.27046   0.81165   0.00000  Uiso   1.00
C2619  C     0.12397   0.28876   0.80484   0.00000  Uiso   1.00
C2620  C     0.09866   0.29062   0.82845   0.00000  Uiso   1.00
C2621  C     0.10210   0.27367   0.85860   0.00000  Uiso   1.00
C2622  C     0.11601   0.24820   0.92624   0.00000  Uiso   1.00
C2623  C     0.08731   0.23460   0.94099   0.00000  Uiso   1.00
C2624  C     0.07626   0.25119   0.97110   0.00000  Uiso   1.00
C2625  C     0.09418   0.27806   0.98234   0.00000  Uiso   1.00
H2626  H     0.15721   0.23326   0.90241   0.00000  Uiso   1.00
H2627  H     0.08245   0.32584   1.00471   0.00000  Uiso   1.00
H2628  H     0.10993   0.30072   1.02876   0.00000  Uiso   1.00
H2629  H     0.06689   0.29017   1.02627   0.00000  Uiso   1.00
H2630  H     0.17258   0.26964   0.79245   0.00000  Uiso   1.00
H2631  H     0.12134   0.30128   0.78051   0.00000  Uiso   1.00
H2632  H     0.07570   0.30485   0.82322   0.00000  Uiso   1.00
H2633  H     0.08150   0.27486   0.87693   0.00000  Uiso   1.00
H2634  H     0.05405   0.24290   0.98504   0.00000  Uiso   1.00
S2635  S     0.87636   0.50772   0.23653   0.00000  Uiso   1.00
O2636  O     0.76754   0.48693   0.25791   0.00000  Uiso   1.00
O2637  O     0.72160   0.45898   0.25299   0.00000  Uiso   1.00
N2638  N     0.82407   0.46199   0.23817   0.00000  Uiso   1.00
N2639  N     0.75200   0.46144   0.25161   0.00000  Uiso   1.00
N2640  N     0.84636   0.42055   0.15057   0.00000  Uiso   1.00
C2641  C     0.85570   0.44084   0.16906   0.00000  Uiso   1.00
C2642  C     0.93501   0.53460   0.20191   0.00000  Uiso   1.00
C2643  C     0.80484   0.43252   0.23427   0.00000  Uiso   1.00
C2644  C     0.76989   0.43220   0.24123   0.00000  Uiso   1.00
C2645  C     0.75246   0.40180   0.23730   0.00000  Uiso   1.00
C2646  C     0.76826   0.37274   0.22650   0.00000  Uiso   1.00
C2647  C     0.80227   0.37315   0.21984   0.00000  Uiso   1.00
C2648  C     0.82033   0.40257   0.22414   0.00000  Uiso   1.00
C2649  C     0.85228   0.47452   0.22218   0.00000  Uiso   1.00
C2650  C     0.86765   0.46649   0.19159   0.00000  Uiso   1.00
C2651  C     0.89628   0.48674   0.18316   0.00000  Uiso   1.00
C2652  C     0.90581   0.51154   0.20462   0.00000  Uiso   1.00
H2653  H     0.81341   0.47859   0.25362   0.00000  Uiso   1.00
H2654  H     0.95362   0.52973   0.22161   0.00000  Uiso   1.00
H2655  H     0.92780   0.56112   0.20357   0.00000  Uiso   1.00
H2656  H     0.94744   0.53090   0.17769   0.00000  Uiso   1.00
H2657  H     0.72555   0.40071   0.24326   0.00000  Uiso   1.00
H2658  H     0.75401   0.34939   0.22368   0.00000  Uiso   1.00
H2659  H     0.81513   0.35032   0.21141   0.00000  Uiso   1.00
H2660  H     0.84755   0.40183   0.21985   0.00000  Uiso   1.00
H2661  H     0.91025   0.48301   0.15979   0.00000  Uiso   1.00
S2662  S     0.56352   0.32175   0.05354   0.00000  Uiso   1.00
O2663  O     0.67564   0.27049   0.02481   0.00000  Uiso   1.00
O2664  O     0.68944   0.21847   0.02170   0.00000  Uiso   1.00
N2665  N     0.62619   0.28912   0.06195   0.00000  Uiso   1.00
N2666  N     0.67051   0.24085   0.02996   0.00000  Uiso   1.00
N2667  N     0.67479   0.36031   0.09690   0.00000  Uiso   1.00
C2668  C     0.64775   0.35639   0.08711   0.00000  Uiso   1.00
C2669  C     0.52713   0.38518   0.05590   0.00000  Uiso   1.00
C2670  C     0.61954   0.25451   0.06358   0.00000  Uiso   1.00
C2671  C     0.64183   0.23089   0.04897   0.00000  Uiso   1.00
C2672  C     0.63512   0.19663   0.05382   0.00000  Uiso   1.00
C2673  C     0.60758   0.18578   0.07217   0.00000  Uiso   1.00
C2674  C     0.58518   0.20887   0.08515   0.00000  Uiso   1.00
C2675  C     0.59109   0.24288   0.08081   0.00000  Uiso   1.00
C2676  C     0.60536   0.31696   0.06446   0.00000  Uiso   1.00
C2677  C     0.61432   0.34913   0.07512   0.00000  Uiso   1.00
C2678  C     0.58800   0.37378   0.07350   0.00000  Uiso   1.00
C2679  C     0.55723   0.36404   0.06212   0.00000  Uiso   1.00
H2680  H     0.64953   0.29418   0.05436   0.00000  Uiso   1.00
H2681  H     0.50428   0.37535   0.06778   0.00000  Uiso   1.00
H2682  H     0.52200   0.38791   0.02897   0.00000  Uiso   1.00
H2683  H     0.53183   0.41024   0.06596   0.00000  Uiso   1.00
H2684  H     0.65159   0.17758   0.04251   0.00000  Uiso   1.00
H2685  H     0.60289   0.15888   0.07559   0.00000  Uiso   1.00
H2686  H     0.56311   0.20028   0.09918   0.00000  Uiso   1.00
H2687  H     0.57368   0.26092   0.09229   0.00000  Uiso   1.00
H2688  H     0.59201   0.39994   0.08089   0.00000  Uiso   1.00
S2689  S     0.15068   0.66206   0.70403   0.00000  Uiso   1.00
O2690  O     0.04981   0.66624   0.65181   0.00000  Uiso   1.00
O2691  O    -0.00145   0.68216   0.64634   0.00000  Uiso   1.00
N2692  N     0.08744   0.68964   0.69992   0.00000  Uiso   1.00
N2693  N     0.02601   0.68364   0.65960   0.00000  Uiso   1.00
N2694  N     0.07358   0.69251   0.79937   0.00000  Uiso   1.00
C2695  C     0.09309   0.68497   0.77920   0.00000  Uiso   1.00
C2696  C     0.20560   0.63633   0.74479   0.00000  Uiso   1.00
C2697  C     0.05919   0.71003   0.70593   0.00000  Uiso   1.00
C2698  C     0.02950   0.70706   0.68644   0.00000  Uiso   1.00
C2699  C     0.00231   0.72800   0.69441   0.00000  Uiso   1.00
C2700  C     0.00395   0.75166   0.71986   0.00000  Uiso   1.00
C2701  C     0.03322   0.75516   0.73809   0.00000  Uiso   1.00
C2702  C     0.06039   0.73458   0.73116   0.00000  Uiso   1.00
C2703  C     0.11371   0.67853   0.71980   0.00000  Uiso   1.00
C2704  C     0.11797   0.67548   0.75459   0.00000  Uiso   1.00
C2705  C     0.14939   0.66080   0.76468   0.00000  Uiso   1.00
C2706  C     0.17175   0.65141   0.74063   0.00000  Uiso   1.00
H2707  H     0.08677   0.67807   0.67769   0.00000  Uiso   1.00
H2708  H     0.22548   0.65246   0.73466   0.00000  Uiso   1.00
H2709  H     0.20772   0.61183   0.73238   0.00000  Uiso   1.00
H2710  H     0.21081   0.63257   0.77148   0.00000  Uiso   1.00
H2711  H    -0.02096   0.72568   0.67988   0.00000  Uiso   1.00
H2712  H    -0.01780   0.76756   0.72528   0.00000  Uiso   1.00
H2713  H     0.03511   0.77413   0.75791   0.00000  Uiso   1.00
H2714  H     0.08366   0.73855   0.74538   0.00000  Uiso   1.00
H2715  H     0.15563   0.65701   0.79118   0.00000  Uiso   1.00
S2716  S     0.76325   0.46095   0.08079   0.00000  Uiso   1.00
O2717  O     0.88442   0.46295   0.10442   0.00000  Uiso   1.00
O2718  O     0.92021   0.48897   0.07361   0.00000  Uiso   1.00
N2719  N     0.82953   0.43686   0.07866   0.00000  Uiso   1.00
N2720  N     0.89427   0.47336   0.07754   0.00000  Uiso   1.00
N2721  N     0.81083   0.34980   0.11547   0.00000  Uiso   1.00
C2722  C     0.79724   0.37488   0.11010   0.00000  Uiso   1.00
C2723  C     0.69382   0.44912   0.09997   0.00000  Uiso   1.00
C2724  C     0.84365   0.45022   0.04888   0.00000  Uiso   1.00
C2725  C     0.87477   0.46729   0.04816   0.00000  Uiso   1.00
C2726  C     0.88651   0.47913   0.01704   0.00000  Uiso   1.00
C2727  C     0.86902   0.47361  -0.01254   0.00000  Uiso   1.00
C2728  C     0.83898   0.45631  -0.01174   0.00000  Uiso   1.00
C2729  C     0.82634   0.44541   0.01874   0.00000  Uiso   1.00
C2730  C     0.79588   0.43281   0.08665   0.00000  Uiso   1.00
C2731  C     0.77984   0.40548   0.10177   0.00000  Uiso   1.00
C2732  C     0.74433   0.40948   0.10696   0.00000  Uiso   1.00
C2733  C     0.72954   0.43871   0.09721   0.00000  Uiso   1.00
H2734  H     0.84519   0.42137   0.09097   0.00000  Uiso   1.00
H2735  H     0.68255   0.45467   0.07546   0.00000  Uiso   1.00
H2736  H     0.69061   0.47154   0.11564   0.00000  Uiso   1.00
H2737  H     0.67917   0.42891   0.11135   0.00000  Uiso   1.00
H2738  H     0.91041   0.49293   0.01585   0.00000  Uiso   1.00
H2739  H     0.87910   0.48291  -0.03637   0.00000  Uiso   1.00
H2740  H     0.82537   0.45101  -0.03505   0.00000  Uiso   1.00
H2741  H     0.80270   0.43134   0.01901   0.00000  Uiso   1.00
H2742  H     0.72901   0.38956   0.11797   0.00000  Uiso   1.00
S2743  S     0.08992   0.52788   0.24859   0.00000  Uiso   1.00
O2744  O     0.06471   0.62819   0.20836   0.00000  Uiso   1.00
O2745  O     0.07627   0.67258   0.17995   0.00000  Uiso   1.00
N2746  N     0.11251   0.59040   0.23055   0.00000  Uiso   1.00
N2747  N     0.08416   0.64928   0.19797   0.00000  Uiso   1.00
N2748  N     0.17346   0.59752   0.31311   0.00000  Uiso   1.00
C2749  C     0.15426   0.58129   0.29861   0.00000  Uiso   1.00
C2750  C     0.08920   0.47223   0.29587   0.00000  Uiso   1.00
C2751  C     0.13278   0.61841   0.22282   0.00000  Uiso   1.00
C2752  C     0.11883   0.64694   0.20652   0.00000  Uiso   1.00
C2753  C     0.14028   0.67377   0.19864   0.00000  Uiso   1.00
C2754  C     0.17416   0.67296   0.20635   0.00000  Uiso   1.00
C2755  C     0.18773   0.64504   0.22182   0.00000  Uiso   1.00
C2756  C     0.16728   0.61801   0.22971   0.00000  Uiso   1.00
C2757  C     0.11408   0.56376   0.25275   0.00000  Uiso   1.00
C2758  C     0.13146   0.55800   0.28282   0.00000  Uiso   1.00
C2759  C     0.12406   0.52641   0.29871   0.00000  Uiso   1.00
C2760  C     0.10143   0.50544   0.28407   0.00000  Uiso   1.00
H2761  H     0.09189   0.58999   0.21637   0.00000  Uiso   1.00
H2762  H     0.09398   0.45224   0.27754   0.00000  Uiso   1.00
H2763  H     0.06215   0.47229   0.30111   0.00000  Uiso   1.00
H2764  H     0.10219   0.46548   0.31911   0.00000  Uiso   1.00
H2765  H     0.13030   0.69628   0.18609   0.00000  Uiso   1.00
H2766  H     0.19004   0.69443   0.19982   0.00000  Uiso   1.00
H2767  H     0.21459   0.64434   0.22771   0.00000  Uiso   1.00
H2768  H     0.17892   0.59573   0.24091   0.00000  Uiso   1.00
H2769  H     0.13586   0.51893   0.32239   0.00000  Uiso   1.00
S2770  S     0.91933   0.92995   0.00172   0.00000  Uiso   1.00
O2771  O     0.98707   0.84168   0.06737   0.00000  Uiso   1.00
O2772  O     1.00784   0.85032   0.11637   0.00000  Uiso   1.00
N2773  N     0.97331   0.89139   0.02776   0.00000  Uiso   1.00
N2774  N     0.99709   0.86008   0.08956   0.00000  Uiso   1.00
N2775  N     0.96356   0.81700  -0.03218   0.00000  Uiso   1.00
C2776  C     0.95148   0.84271  -0.02623   0.00000  Uiso   1.00
C2777  C     0.86479   0.93428  -0.04641   0.00000  Uiso   1.00
C2778  C     0.98413   0.91091   0.05518   0.00000  Uiso   1.00
C2779  C     0.99575   0.89559   0.08517   0.00000  Uiso   1.00
C2780  C     1.00567   0.91657   0.11166   0.00000  Uiso   1.00
C2781  C     1.00455   0.95125   0.10916   0.00000  Uiso   1.00
C2782  C     0.99368   0.96606   0.07974   0.00000  Uiso   1.00
C2783  C     0.98370   0.94610   0.05303   0.00000  Uiso   1.00
C2784  C     0.94710   0.89663   0.00533   0.00000  Uiso   1.00
C2785  C     0.93576   0.87467  -0.01966   0.00000  Uiso   1.00
C2786  C     0.90716   0.88610  -0.03849   0.00000  Uiso   1.00
C2787  C     0.89367   0.91655  -0.03086   0.00000  Uiso   1.00
H2788  H     0.98051   0.86748   0.02976   0.00000  Uiso   1.00
H2789  H     0.84478   0.93974  -0.02825   0.00000  Uiso   1.00
H2790  H     0.87233   0.95831  -0.05764   0.00000  Uiso   1.00
H2791  H     0.85406   0.91866  -0.06626   0.00000  Uiso   1.00
H2792  H     1.01482   0.90533   0.13514   0.00000  Uiso   1.00
H2793  H     1.01228   0.96670   0.13058   0.00000  Uiso   1.00
H2794  H     0.99269   0.99347   0.07760   0.00000  Uiso   1.00
H2795  H     0.97590   0.95842   0.02963   0.00000  Uiso   1.00
H2796  H     0.89601   0.87088  -0.05838   0.00000  Uiso   1.00
S2797  S     1.06666   0.23229   0.78148   0.00000  Uiso   1.00
O2798  O     1.00068   0.29049   0.85566   0.00000  Uiso   1.00
O2799  O     0.95177   0.30007   0.87651   0.00000  Uiso   1.00
N2800  N     1.00659   0.26304   0.79676   0.00000  Uiso   1.00
N2801  N     0.97021   0.29133   0.85380   0.00000  Uiso   1.00
N2802  N     0.99998   0.30678   0.70421   0.00000  Uiso   1.00
C2803  C     1.01656   0.29161   0.72260   0.00000  Uiso   1.00
C2804  C     1.12273   0.22331   0.73506   0.00000  Uiso   1.00
C2805  C     0.97217   0.27141   0.79437   0.00000  Uiso   1.00
C2806  C     0.95442   0.28427   0.82245   0.00000  Uiso   1.00
C2807  C     0.91986   0.29033   0.81886   0.00000  Uiso   1.00
C2808  C     0.90312   0.28408   0.78903   0.00000  Uiso   1.00
C2809  C     0.92050   0.27149   0.76181   0.00000  Uiso   1.00
C2810  C     0.95459   0.26528   0.76463   0.00000  Uiso   1.00
C2811  C     1.03191   0.25719   0.77374   0.00000  Uiso   1.00
C2812  C     1.03828   0.26952   0.74136   0.00000  Uiso   1.00
C2813  C     1.06942   0.25843   0.72687   0.00000  Uiso   1.00
C2814  C     1.08947   0.23732   0.74471   0.00000  Uiso   1.00
H2815  H     1.01199   0.25417   0.81977   0.00000  Uiso   1.00
H2816  H     1.12291   0.19579   0.73438   0.00000  Uiso   1.00
H2817  H     1.14281   0.23111   0.75221   0.00000  Uiso   1.00
H2818  H     1.12944   0.23220   0.70995   0.00000  Uiso   1.00
H2819  H     0.90534   0.30018   0.84017   0.00000  Uiso   1.00
H2820  H     0.87612   0.28887   0.78725   0.00000  Uiso   1.00
H2821  H     0.90743   0.26592   0.73827   0.00000  Uiso   1.00
H2822  H     0.96764   0.25423   0.74318   0.00000  Uiso   1.00
H2823  H     1.07760   0.26682   0.70201   0.00000  Uiso   1.00
S2824  S     0.75012   0.92415   0.86439   0.00000  Uiso   1.00
O2825  O     0.66633   0.95898   0.94381   0.00000  Uiso   1.00
O2826  O     0.61618   0.97787   0.95048   0.00000  Uiso   1.00
N2827  N     0.69666   0.96404   0.88626   0.00000  Uiso   1.00
N2828  N     0.64065   0.97168   0.93328   0.00000  Uiso   1.00
N2829  N     0.72705   1.04525   0.83876   0.00000  Uiso   1.00
C2830  C     0.73280   1.01716   0.84289   0.00000  Uiso   1.00
C2831  C     0.80956   0.91783   0.82216   0.00000  Uiso   1.00
C2832  C     0.66435   0.97396   0.87526   0.00000  Uiso   1.00
C2833  C     0.63731   0.97772   0.89814   0.00000  Uiso   1.00
C2834  C     0.60593   0.98749   0.88534   0.00000  Uiso   1.00
C2835  C     0.60064   0.99255   0.85136   0.00000  Uiso   1.00
C2836  C     0.62685   0.98823   0.82912   0.00000  Uiso   1.00
C2837  C     0.65829   0.97918   0.84096   0.00000  Uiso   1.00
C2838  C     0.72573   0.95991   0.86759   0.00000  Uiso   1.00
C2839  C     0.74271   0.98263   0.84688   0.00000  Uiso   1.00
C2840  C     0.77215   0.96962   0.83050   0.00000  Uiso   1.00
C2841  C     0.78113   0.93721   0.83658   0.00000  Uiso   1.00
H2842  H     0.69529   0.94887   0.90614   0.00000  Uiso   1.00
H2843  H     0.80120   0.89654   0.80675   0.00000  Uiso   1.00
H2844  H     0.82609   0.90746   0.84159   0.00000  Uiso   1.00
H2845  H     0.82454   0.93420   0.80598   0.00000  Uiso   1.00
H2846  H     0.58465   0.99079   0.90248   0.00000  Uiso   1.00
H2847  H     0.57590   1.00004   0.84201   0.00000  Uiso   1.00
H2848  H     0.62282   0.99187   0.80215   0.00000  Uiso   1.00
H2849  H     0.67829   0.97524   0.82240   0.00000  Uiso   1.00
H2850  H     0.78764   0.98518   0.81393   0.00000  Uiso   1.00
S2851  S     0.14231   0.52466   0.63891   0.00000  Uiso   1.00
O2852  O     0.23037   0.55553   0.55338   0.00000  Uiso   1.00
O2853  O     0.22724   0.55613   0.49942   0.00000  Uiso   1.00
N2854  N     0.18980   0.51529   0.58734   0.00000  Uiso   1.00
N2855  N     0.21680   0.54839   0.52704   0.00000  Uiso   1.00
N2856  N     0.26026   0.48065   0.64833   0.00000  Uiso   1.00
C2857  C     0.23292   0.49053   0.64782   0.00000  Uiso   1.00
C2858  C     0.12675   0.52072   0.71068   0.00000  Uiso   1.00
C2859  C     0.17026   0.52009   0.55804   0.00000  Uiso   1.00
C2860  C     0.18370   0.53512   0.52858   0.00000  Uiso   1.00
C2861  C     0.16325   0.53737   0.49995   0.00000  Uiso   1.00
C2862  C     0.13043   0.52612   0.50007   0.00000  Uiso   1.00
C2863  C     0.11705   0.51232   0.52889   0.00000  Uiso   1.00
C2864  C     0.13677   0.50913   0.55736   0.00000  Uiso   1.00
C2865  C     0.18043   0.51344   0.62099   0.00000  Uiso   1.00
C2866  C     0.19901   0.50320   0.64915   0.00000  Uiso   1.00
C2867  C     0.18166   0.50540   0.68075   0.00000  Uiso   1.00
C2868  C     0.14945   0.51677   0.68120   0.00000  Uiso   1.00
H2869  H     0.21443   0.51798   0.58295   0.00000  Uiso   1.00
H2870  H     0.10441   0.50466   0.70919   0.00000  Uiso   1.00
H2871  H     0.11789   0.54663   0.71387   0.00000  Uiso   1.00
H2872  H     0.14027   0.51389   0.73360   0.00000  Uiso   1.00
H2873  H     0.17315   0.54878   0.47683   0.00000  Uiso   1.00
H2874  H     0.11503   0.52882   0.47747   0.00000  Uiso   1.00
H2875  H     0.09079   0.50423   0.52896   0.00000  Uiso   1.00
H2876  H     0.12545   0.49735   0.57947   0.00000  Uiso   1.00
H2877  H     0.19377   0.49824   0.70437   0.00000  Uiso   1.00
S2878  S     0.86298   0.19013   0.16318   0.00000  Uiso   1.00
O2879  O     0.89172   0.27794   0.22809   0.00000  Uiso   1.00
O2880  O     0.91273   0.32662   0.23812   0.00000  Uiso   1.00
N2881  N     0.89424   0.25168   0.16882   0.00000  Uiso   1.00
N2882  N     0.90705   0.30296   0.21969   0.00000  Uiso   1.00
N2883  N     0.97309   0.22416   0.11142   0.00000  Uiso   1.00
C2884  C     0.94750   0.21559   0.12215   0.00000  Uiso   1.00
C2885  C     0.86229   0.12235   0.13603   0.00000  Uiso   1.00
C2886  C     0.91122   0.28173   0.16082   0.00000  Uiso   1.00
C2887  C     0.91741   0.30659   0.18560   0.00000  Uiso   1.00
C2888  C     0.93469   0.33578   0.17592   0.00000  Uiso   1.00
C2889  C     0.94498   0.34104   0.14312   0.00000  Uiso   1.00
C2890  C     0.93801   0.31722   0.11892   0.00000  Uiso   1.00
C2891  C     0.92125   0.28802   0.12769   0.00000  Uiso   1.00
C2892  C     0.89378   0.21972   0.15524   0.00000  Uiso   1.00
C2893  C     0.91618   0.20224   0.13448   0.00000  Uiso   1.00
C2894  C     0.90654   0.16827   0.12689   0.00000  Uiso   1.00
C2895  C     0.87761   0.15605   0.14031   0.00000  Uiso   1.00
H2896  H     0.87903   0.25412   0.18854   0.00000  Uiso   1.00
H2897  H     0.83753   0.12353   0.12402   0.00000  Uiso   1.00
H2898  H     0.85897   0.10940   0.15999   0.00000  Uiso   1.00
H2899  H     0.87855   0.10674   0.12034   0.00000  Uiso   1.00
H2900  H     0.94032   0.35515   0.19473   0.00000  Uiso   1.00
H2901  H     0.95818   0.36415   0.13621   0.00000  Uiso   1.00
H2902  H     0.94537   0.32154   0.09280   0.00000  Uiso   1.00
H2903  H     0.91477   0.27015   0.10774   0.00000  Uiso   1.00
H2904  H     0.92209   0.15183   0.11125   0.00000  Uiso   1.00
S2905  S     0.46989   0.99721   0.45917   0.00000  Uiso   1.00
O2906  O     0.52570   0.93094   0.38565   0.00000  Uiso   1.00
O2907  O     0.53900   0.91297   0.33652   0.00000  Uiso   1.00
N2908  N     0.48038   0.97718   0.39354   0.00000  Uiso   1.00
N2909  N     0.52246   0.93042   0.35531   0.00000  Uiso   1.00
N2910  N     0.38206   0.96923   0.37282   0.00000  Uiso   1.00
C2911  C     0.40090   0.97573   0.39390   0.00000  Uiso   1.00
C2912  C     0.42335   1.01300   0.51343   0.00000  Uiso   1.00
C2913  C     0.47692   0.97347   0.35847   0.00000  Uiso   1.00
C2914  C     0.49746   0.95094   0.33997   0.00000  Uiso   1.00
C2915  C     0.49241   0.94865   0.30513   0.00000  Uiso   1.00
C2916  C     0.46835   0.96766   0.28871   0.00000  Uiso   1.00
C2917  C     0.44898   0.99010   0.30669   0.00000  Uiso   1.00
C2918  C     0.45344   0.99310   0.34105   0.00000  Uiso   1.00
C2919  C     0.45816   0.98535   0.41904   0.00000  Uiso   1.00
C2920  C     0.42300   0.98517   0.42101   0.00000  Uiso   1.00
C2921  C     0.40951   0.99460   0.45319   0.00000  Uiso   1.00
C2922  C     0.43113   1.00234   0.47849   0.00000  Uiso   1.00
H2923  H     0.50273   0.96951   0.40195   0.00000  Uiso   1.00
H2924  H     0.43286   1.03825   0.51907   0.00000  Uiso   1.00
H2925  H     0.43397   0.99594   0.53228   0.00000  Uiso   1.00
H2926  H     0.39613   1.01337   0.51706   0.00000  Uiso   1.00
H2927  H     0.50766   0.93115   0.29017   0.00000  Uiso   1.00
H2928  H     0.46481   0.96494   0.26155   0.00000  Uiso   1.00
H2929  H     0.43006   1.00536   0.29387   0.00000  Uiso   1.00
H2930  H     0.43832   1.01174   0.35457   0.00000  Uiso   1.00
H2931  H     0.38239   0.99532   0.45789   0.00000  Uiso   1.00
S2932  S     0.24635   0.13896   0.18835   0.00000  Uiso   1.00
O2933  O     0.18760   0.14637   0.25197   0.00000  Uiso   1.00
O2934  O     0.16064   0.11566   0.28723   0.00000  Uiso   1.00
N2935  N     0.17681   0.14107   0.18754   0.00000  Uiso   1.00
N2936  N     0.16668   0.12529   0.25891   0.00000  Uiso   1.00
N2937  N     0.16889   0.08526   0.10440   0.00000  Uiso   1.00
C2938  C     0.18825   0.09702   0.12250   0.00000  Uiso   1.00
C2939  C     0.30879   0.11420   0.15916   0.00000  Uiso   1.00
C2940  C     0.15089   0.11937   0.19842   0.00000  Uiso   1.00
C2941  C     0.14656   0.11122   0.23284   0.00000  Uiso   1.00
C2942  C     0.12182   0.08754   0.24124   0.00000  Uiso   1.00
C2943  C     0.10102   0.07336   0.21726   0.00000  Uiso   1.00
C2944  C     0.10414   0.08275   0.18405   0.00000  Uiso   1.00
C2945  C     0.12887   0.10542   0.17482   0.00000  Uiso   1.00
C2946  C     0.20662   0.13044   0.17288   0.00000  Uiso   1.00
C2947  C     0.21349   0.11055   0.14464   0.00000  Uiso   1.00
C2948  C     0.24854   0.10427   0.13853   0.00000  Uiso   1.00
C2949  C     0.27161   0.11764   0.15989   0.00000  Uiso   1.00
H2950  H     0.18264   0.15658   0.20646   0.00000  Uiso   1.00
H2951  H     0.31858   0.10194   0.18183   0.00000  Uiso   1.00
H2952  H     0.32153   0.13852   0.15681   0.00000  Uiso   1.00
H2953  H     0.31611   0.09884   0.13760   0.00000  Uiso   1.00
H2954  H     0.11913   0.07937   0.26746   0.00000  Uiso   1.00
H2955  H     0.08203   0.05497   0.22471   0.00000  Uiso   1.00
H2956  H     0.08750   0.07193   0.16501   0.00000  Uiso   1.00
H2957  H     0.13062   0.11298   0.14839   0.00000  Uiso   1.00
H2958  H     0.25706   0.08906   0.11724   0.00000  Uiso   1.00
S2959  S     0.33375   0.93371   0.62671   0.00000  Uiso   1.00
O2960  O     0.26854   0.88875   0.73618   0.00000  Uiso   1.00
O2961  O     0.22163   0.86208   0.73485   0.00000  Uiso   1.00
N2962  N     0.29237   0.91769   0.68273   0.00000  Uiso   1.00
N2963  N     0.24353   0.87886   0.72179   0.00000  Uiso   1.00
N2964  N     0.35892   0.94144   0.74994   0.00000  Uiso   1.00
C2965  C     0.35496   0.93935   0.72126   0.00000  Uiso   1.00
C2966  C     0.39864   0.95692   0.60300   0.00000  Uiso   1.00
C2967  C     0.26091   0.90851   0.66915   0.00000  Uiso   1.00
C2968  C     0.23745   0.88929   0.68804   0.00000  Uiso   1.00
C2969  C     0.20719   0.87991   0.67248   0.00000  Uiso   1.00
C2970  C     0.19959   0.88920   0.63984   0.00000  Uiso   1.00
C2971  C     0.22199   0.90863   0.62192   0.00000  Uiso   1.00
C2972  C     0.25205   0.91829   0.63648   0.00000  Uiso   1.00
C2973  C     0.32238   0.92875   0.66843   0.00000  Uiso   1.00
C2974  C     0.35182   0.93843   0.68519   0.00000  Uiso   1.00
C2975  C     0.37929   0.94835   0.66396   0.00000  Uiso   1.00
C2976  C     0.37483   0.94768   0.63012   0.00000  Uiso   1.00
H2977  H     0.29467   0.91034   0.70659   0.00000  Uiso   1.00
H2978  H     0.40357   0.93579   0.58604   0.00000  Uiso   1.00
H2979  H     0.42255   0.96464   0.61409   0.00000  Uiso   1.00
H2980  H     0.38932   0.97783   0.58766   0.00000  Uiso   1.00
H2981  H     0.18904   0.86434   0.68632   0.00000  Uiso   1.00
H2982  H     0.17588   0.88126   0.62835   0.00000  Uiso   1.00
H2983  H     0.21612   0.91635   0.59619   0.00000  Uiso   1.00
H2984  H     0.26863   0.93457   0.62179   0.00000  Uiso   1.00
H2985  H     0.40340   0.95665   0.67417   0.00000  Uiso   1.00
S2986  S     0.56227   0.18601   0.80126   0.00000  Uiso   1.00
O2987  O     0.57548   0.06987   0.84783   0.00000  Uiso   1.00
O2988  O     0.62249   0.06104   0.87296   0.00000  Uiso   1.00
N2989  N     0.57220   0.11608   0.80105   0.00000  Uiso   1.00
N2990  N     0.60585   0.07221   0.84992   0.00000  Uiso   1.00
N2991  N     0.48664   0.09084   0.77004   0.00000  Uiso   1.00
C2992  C     0.50040   0.11552   0.77659   0.00000  Uiso   1.00
C2993  C     0.51572   0.24148   0.79279   0.00000  Uiso   1.00
C2994  C     0.60733   0.11382   0.80316   0.00000  Uiso   1.00
C2995  C     0.62363   0.09204   0.82606   0.00000  Uiso   1.00
C2996  C     0.65881   0.09086   0.82543   0.00000  Uiso   1.00
C2997  C     0.67753   0.10989   0.80310   0.00000  Uiso   1.00
C2998  C     0.66150   0.13136   0.78110   0.00000  Uiso   1.00
C2999  C     0.62683   0.13364   0.78154   0.00000  Uiso   1.00
C3000  C     0.55241   0.14410   0.79529   0.00000  Uiso   1.00
C3001  C     0.51893   0.14546   0.78499   0.00000  Uiso   1.00
C3002  C     0.50462   0.17857   0.78337   0.00000  Uiso   1.00
C3003  C     0.52443   0.20525   0.79142   0.00000  Uiso   1.00
H3004  H     0.56021   0.09572   0.80928   0.00000  Uiso   1.00
H3005  H     0.53157   0.25677   0.77621   0.00000  Uiso   1.00
H3006  H     0.51821   0.25183   0.81820   0.00000  Uiso   1.00
H3007  H     0.48963   0.24489   0.78494   0.00000  Uiso   1.00
H3008  H     0.67202   0.07397   0.84278   0.00000  Uiso   1.00
H3009  H     0.70496   0.10804   0.80323   0.00000  Uiso   1.00
H3010  H     0.67578   0.14635   0.76303   0.00000  Uiso   1.00
H3011  H     0.61452   0.15039   0.76339   0.00000  Uiso   1.00
H3012  H     0.47850   0.18287   0.77604   0.00000  Uiso   1.00
S3013  S     0.08895   0.11682   0.60564   0.00000  Uiso   1.00
O3014  O    -0.00939   0.04796   0.55656   0.00000  Uiso   1.00
O3015  O    -0.03831   0.02130   0.59372   0.00000  Uiso   1.00
N3016  N     0.05118   0.06801   0.57145   0.00000  Uiso   1.00
N3017  N    -0.01207   0.03202   0.58245   0.00000  Uiso   1.00
N3018  N     0.05895   0.10551   0.48402   0.00000  Uiso   1.00
C3019  C     0.06811   0.11168   0.51091   0.00000  Uiso   1.00
C3020  C     0.12881   0.17748   0.60227   0.00000  Uiso   1.00
C3021  C     0.04766   0.04361   0.59680   0.00000  Uiso   1.00
C3022  C     0.01707   0.02631   0.60231   0.00000  Uiso   1.00
C3023  C     0.01555   0.00331   0.62900   0.00000  Uiso   1.00
C3024  C     0.04311  -0.00320   0.64922   0.00000  Uiso   1.00
C3025  C     0.07313   0.01309   0.64327   0.00000  Uiso   1.00
C3026  C     0.07528   0.03614   0.61734   0.00000  Uiso   1.00
C3027  C     0.07014   0.09722   0.57169   0.00000  Uiso   1.00
C3028  C     0.07853   0.11843   0.54497   0.00000  Uiso   1.00
C3029  C     0.09862   0.14709   0.55384   0.00000  Uiso   1.00
C3030  C     0.10738   0.15134   0.58661   0.00000  Uiso   1.00
H3031  H     0.03464   0.06572   0.55283   0.00000  Uiso   1.00
H3032  H     0.15225   0.16701   0.61233   0.00000  Uiso   1.00
H3033  H     0.11627   0.19066   0.62289   0.00000  Uiso   1.00
H3034  H     0.13545   0.19620   0.58345   0.00000  Uiso   1.00
H3035  H    -0.00804  -0.01019   0.63387   0.00000  Uiso   1.00
H3036  H     0.04135  -0.02136   0.66976   0.00000  Uiso   1.00
H3037  H     0.09511   0.00788   0.65896   0.00000  Uiso   1.00
H3038  H     0.09957   0.04814   0.61242   0.00000  Uiso   1.00
H3039  H     0.10729   0.16528   0.53521   0.00000  Uiso   1.00
S3040  S     0.10500   0.32630   0.29044   0.00000  Uiso   1.00
O3041  O     0.08558   0.20397   0.31319   0.00000  Uiso   1.00
O3042  O     0.09833   0.16870   0.35211   0.00000  Uiso   1.00
N3043  N     0.12016   0.25888   0.30520   0.00000  Uiso   1.00
N3044  N     0.10373   0.19370   0.33546   0.00000  Uiso   1.00
N3045  N     0.19308   0.24976   0.24294   0.00000  Uiso   1.00
C3046  C     0.17451   0.26996   0.25239   0.00000  Uiso   1.00
C3047  C     0.12352   0.38701   0.25363   0.00000  Uiso   1.00
C3048  C     0.14191   0.24277   0.32832   0.00000  Uiso   1.00
C3049  C     0.13362   0.21168   0.34346   0.00000  Uiso   1.00
C3050  C     0.15583   0.19838   0.36746   0.00000  Uiso   1.00
C3051  C     0.18528   0.21465   0.37638   0.00000  Uiso   1.00
C3052  C     0.19349   0.24470   0.36116   0.00000  Uiso   1.00
C3053  C     0.17200   0.25849   0.33755   0.00000  Uiso   1.00
C3054  C     0.12613   0.28841   0.28762   0.00000  Uiso   1.00
C3055  C     0.15104   0.29514   0.26375   0.00000  Uiso   1.00
C3056  C     0.15113   0.32888   0.25082   0.00000  Uiso   1.00
C3057  C     0.12747   0.35083   0.26214   0.00000  Uiso   1.00
H3058  H     0.09616   0.25576   0.31178   0.00000  Uiso   1.00
H3059  H     0.12816   0.40330   0.27539   0.00000  Uiso   1.00
H3060  H     0.09848   0.39316   0.24403   0.00000  Uiso   1.00
H3061  H     0.14172   0.39386   0.23422   0.00000  Uiso   1.00
H3062  H     0.14971   0.17434   0.37961   0.00000  Uiso   1.00
H3063  H     0.20188   0.20399   0.39553   0.00000  Uiso   1.00
H3064  H     0.21663   0.25787   0.36801   0.00000  Uiso   1.00
H3065  H     0.17862   0.28284   0.32652   0.00000  Uiso   1.00
H3066  H     0.16956   0.33730   0.23221   0.00000  Uiso   1.00
S3067  S     0.83816   0.88621   0.03820   0.00000  Uiso   1.00
O3068  O     0.89233   0.89326   0.14737   0.00000  Uiso   1.00
O3069  O     0.94283   0.87704   0.15757   0.00000  Uiso   1.00
N3070  N     0.85654   0.86339   0.10193   0.00000  Uiso   1.00
N3071  N     0.91563   0.87387   0.14415   0.00000  Uiso   1.00
N3072  N     0.77330   0.81166   0.11693   0.00000  Uiso   1.00
C3073  C     0.78811   0.82706   0.09722   0.00000  Uiso   1.00
C3074  C     0.79012   0.88356  -0.01708   0.00000  Uiso   1.00
C3075  C     0.88107   0.83806   0.10619   0.00000  Uiso   1.00
C3076  C     0.91022   0.84365   0.12587   0.00000  Uiso   1.00
C3077  C     0.93469   0.81831   0.12682   0.00000  Uiso   1.00
C3078  C     0.93074   0.78823   0.10980   0.00000  Uiso   1.00
C3079  C     0.90177   0.78242   0.09171   0.00000  Uiso   1.00
C3080  C     0.87733   0.80709   0.08979   0.00000  Uiso   1.00
C3081  C     0.83381   0.86450   0.07560   0.00000  Uiso   1.00
C3082  C     0.80310   0.84798   0.07165   0.00000  Uiso   1.00
C3083  C     0.78672   0.85393   0.04004   0.00000  Uiso   1.00
C3084  C     0.80170   0.87458   0.01728   0.00000  Uiso   1.00
H3085  H     0.86737   0.88579   0.10568   0.00000  Uiso   1.00
H3086  H     0.80734   0.87440  -0.03657   0.00000  Uiso   1.00
H3087  H     0.78752   0.91078  -0.02054   0.00000  Uiso   1.00
H3088  H     0.76553   0.87222  -0.02160   0.00000  Uiso   1.00
H3089  H     0.95787   0.82231   0.14119   0.00000  Uiso   1.00
H3090  H     0.95039   0.76900   0.11057   0.00000  Uiso   1.00
H3091  H     0.89826   0.75849   0.07868   0.00000  Uiso   1.00
H3092  H     0.85477   0.80186   0.07484   0.00000  Uiso   1.00
H3093  H     0.76272   0.84214   0.03384   0.00000  Uiso   1.00
S3094  S    -0.05496   0.83089   0.23930   0.00000  Uiso   1.00
O3095  O    -0.01392   0.76508   0.16759   0.00000  Uiso   1.00
O3096  O     0.01954   0.74605   0.12982   0.00000  Uiso   1.00
N3097  N    -0.00001   0.81913   0.20054   0.00000  Uiso   1.00
N3098  N     0.01186   0.76632   0.15130   0.00000  Uiso   1.00
N3099  N     0.02436   0.91986   0.19700   0.00000  Uiso   1.00
C3100  C     0.00493   0.90035   0.20620   0.00000  Uiso   1.00
C3101  C    -0.10016   0.87693   0.27355   0.00000  Uiso   1.00
C3102  C     0.03017   0.81812   0.18194   0.00000  Uiso   1.00
C3103  C     0.03586   0.79204   0.15817   0.00000  Uiso   1.00
C3104  C     0.06654   0.79169   0.14078   0.00000  Uiso   1.00
C3105  C     0.09094   0.81583   0.14617   0.00000  Uiso   1.00
C3106  C     0.08535   0.84105   0.16924   0.00000  Uiso   1.00
C3107  C     0.05550   0.84198   0.18704   0.00000  Uiso   1.00
C3108  C    -0.01943   0.84262   0.21717   0.00000  Uiso   1.00
C3109  C    -0.01936   0.87769   0.22063   0.00000  Uiso   1.00
C3110  C    -0.04676   0.89096   0.24011   0.00000  Uiso   1.00
C3111  C    -0.06981   0.86940   0.25316   0.00000  Uiso   1.00
H3112  H    -0.01201   0.79720   0.19908   0.00000  Uiso   1.00
H3113  H    -0.09987   0.86435   0.29807   0.00000  Uiso   1.00
H3114  H    -0.12338   0.86941   0.26074   0.00000  Uiso   1.00
H3115  H    -0.10161   0.90397   0.27806   0.00000  Uiso   1.00
H3116  H     0.07190   0.77161   0.12262   0.00000  Uiso   1.00
H3117  H     0.11499   0.81446   0.13290   0.00000  Uiso   1.00
H3118  H     0.10484   0.85986   0.17388   0.00000  Uiso   1.00
H3119  H     0.05283   0.86138   0.20628   0.00000  Uiso   1.00
H3120  H    -0.04976   0.91799   0.24427   0.00000  Uiso   1.00
S3121  S     0.89680   0.20024   0.04527   0.00000  Uiso   1.00
O3122  O     0.98052   0.28033   0.06056   0.00000  Uiso   1.00
O3123  O     1.00918   0.31992   0.03778   0.00000  Uiso   1.00
N3124  N     0.95463   0.23269   0.02487   0.00000  Uiso   1.00
N3125  N     0.99264   0.29434   0.03635   0.00000  Uiso   1.00
N3126  N     0.99307   0.15196  -0.02059   0.00000  Uiso   1.00
C3127  C     0.97074   0.16105  -0.00444   0.00000  Uiso   1.00
C3128  C     0.85629   0.13941   0.04635   0.00000  Uiso   1.00
C3129  C     0.97086   0.24955  -0.00178   0.00000  Uiso   1.00
C3130  C     0.98866   0.27993   0.00383   0.00000  Uiso   1.00
C3131  C     1.00272   0.29639  -0.02402   0.00000  Uiso   1.00
C3132  C     1.00014   0.28351  -0.05622   0.00000  Uiso   1.00
C3133  C     0.98338   0.25362  -0.06147   0.00000  Uiso   1.00
C3134  C     0.96874   0.23707  -0.03461   0.00000  Uiso   1.00
C3135  C     0.93550   0.20369   0.02590   0.00000  Uiso   1.00
C3136  C     0.94113   0.17116   0.01376   0.00000  Uiso   1.00
C3137  C     0.91476   0.14757   0.02089   0.00000  Uiso   1.00
C3138  C     0.88735   0.15829   0.03822   0.00000  Uiso   1.00
H3139  H     0.94931   0.24836   0.04373   0.00000  Uiso   1.00
H3140  H     0.83458   0.14916   0.03254   0.00000  Uiso   1.00
H3141  H     0.84975   0.14033   0.07301   0.00000  Uiso   1.00
H3142  H     0.85938   0.11302   0.03939   0.00000  Uiso   1.00
H3143  H     1.01617   0.32024  -0.02046   0.00000  Uiso   1.00
H3144  H     1.01135   0.29703  -0.07738   0.00000  Uiso   1.00
H3145  H     0.98135   0.24306  -0.08680   0.00000  Uiso   1.00
H3146  H     0.95486   0.21386  -0.03974   0.00000  Uiso   1.00
H3147  H     0.91613   0.12128   0.01298   0.00000  Uiso   1.00
S3148  S     0.83036   0.09379   0.67736   0.00000  Uiso   1.00
O3149  O     0.85735   0.18715   0.74157   0.00000  Uiso   1.00
O3150  O     0.84629   0.23556   0.76283   0.00000  Uiso   1.00
N3151  N     0.81371   0.15624   0.70322   0.00000  Uiso   1.00
N3152  N     0.83908   0.21117   0.74597   0.00000  Uiso   1.00
N3153  N     0.77288   0.18946   0.61866   0.00000  Uiso   1.00
C3154  C     0.78528   0.16590   0.63019   0.00000  Uiso   1.00
C3155  C     0.83139   0.04764   0.62065   0.00000  Uiso   1.00
C3156  C     0.79376   0.18421   0.71175   0.00000  Uiso   1.00
C3157  C     0.80595   0.21065   0.73240   0.00000  Uiso   1.00
C3158  C     0.78412   0.23739   0.73971   0.00000  Uiso   1.00
C3159  C     0.75140   0.23827   0.72799   0.00000  Uiso   1.00
C3160  C     0.73941   0.21223   0.70853   0.00000  Uiso   1.00
C3161  C     0.76035   0.18563   0.70059   0.00000  Uiso   1.00
C3162  C     0.81270   0.13351   0.67677   0.00000  Uiso   1.00
C3163  C     0.80072   0.13610   0.64382   0.00000  Uiso   1.00
C3164  C     0.80633   0.10699   0.62319   0.00000  Uiso   1.00
C3165  C     0.82273   0.08020   0.63667   0.00000  Uiso   1.00
H3166  H     0.83488   0.15454   0.71666   0.00000  Uiso   1.00
H3167  H     0.81777   0.02654   0.63194   0.00000  Uiso   1.00
H3168  H     0.85828   0.04180   0.62210   0.00000  Uiso   1.00
H3169  H     0.82477   0.04847   0.59403   0.00000  Uiso   1.00
H3170  H     0.79274   0.25819   0.75568   0.00000  Uiso   1.00
H3171  H     0.73492   0.25935   0.73450   0.00000  Uiso   1.00
H3172  H     0.71337   0.21257   0.69961   0.00000  Uiso   1.00
H3173  H     0.74992   0.16504   0.68557   0.00000  Uiso   1.00
H3174  H     0.79865   0.10610   0.59679   0.00000  Uiso   1.00
S3175  S     0.01046   0.27750   0.57496   0.00000  Uiso   1.00
O3176  O     0.08166   0.21163   0.66984   0.00000  Uiso   1.00
O3177  O     0.07398   0.16136   0.68775   0.00000  Uiso   1.00
N3178  N     0.04169   0.23866   0.62650   0.00000  Uiso   1.00
N3179  N     0.06631   0.18530   0.67049   0.00000  Uiso   1.00
N3180  N     0.10671   0.30145   0.65189   0.00000  Uiso   1.00
C3181  C     0.08511   0.30005   0.63254   0.00000  Uiso   1.00
C3182  C     0.01072   0.33898   0.53620   0.00000  Uiso   1.00
C3183  C     0.02540   0.20716   0.62804   0.00000  Uiso   1.00
C3184  C     0.03753   0.18137   0.64962   0.00000  Uiso   1.00
C3185  C     0.02026   0.15065   0.65038   0.00000  Uiso   1.00
C3186  C    -0.00794   0.14491   0.63096   0.00000  Uiso   1.00
C3187  C    -0.01977   0.16992   0.61014   0.00000  Uiso   1.00
C3188  C    -0.00325   0.20049   0.60866   0.00000  Uiso   1.00
C3189  C     0.03804   0.26760   0.60708   0.00000  Uiso   1.00
C3190  C     0.05809   0.29656   0.60867   0.00000  Uiso   1.00
C3191  C     0.05001   0.32250   0.58486   0.00000  Uiso   1.00
C3192  C     0.02415   0.31713   0.56320   0.00000  Uiso   1.00
H3193  H     0.06195   0.23900   0.64115   0.00000  Uiso   1.00
H3194  H    -0.01529   0.34666   0.54113   0.00000  Uiso   1.00
H3195  H     0.01100   0.32662   0.51157   0.00000  Uiso   1.00
H3196  H     0.02595   0.36172   0.53417   0.00000  Uiso   1.00
H3197  H     0.02908   0.13041   0.66694   0.00000  Uiso   1.00
H3198  H    -0.02103   0.12079   0.63251   0.00000  Uiso   1.00
H3199  H    -0.04254   0.16574   0.59527   0.00000  Uiso   1.00
H3200  H    -0.01401   0.21964   0.59222   0.00000  Uiso   1.00
H3201  H     0.06386   0.34620   0.58372   0.00000  Uiso   1.00
S3202  S     0.38039   0.22428   0.32410   0.00000  Uiso   1.00
O3203  O     0.38104   0.14075   0.43094   0.00000  Uiso   1.00
O3204  O     0.41231   0.14375   0.47472   0.00000  Uiso   1.00
N3205  N     0.39140   0.17978   0.37956   0.00000  Uiso   1.00
N3206  N     0.40374   0.15326   0.44702   0.00000  Uiso   1.00
N3207  N     0.33425   0.11176   0.35375   0.00000  Uiso   1.00
C3208  C     0.34116   0.13784   0.34318   0.00000  Uiso   1.00
C3209  C     0.34360   0.23707   0.26266   0.00000  Uiso   1.00
C3210  C     0.41383   0.19579   0.40186   0.00000  Uiso   1.00
C3211  C     0.41999   0.18259   0.43448   0.00000  Uiso   1.00
C3212  C     0.44281   0.19954   0.45535   0.00000  Uiso   1.00
C3213  C     0.45849   0.22892   0.44544   0.00000  Uiso   1.00
C3214  C     0.45212   0.24198   0.41398   0.00000  Uiso   1.00
C3215  C     0.43052   0.22534   0.39240   0.00000  Uiso   1.00
C3216  C     0.37644   0.18893   0.34915   0.00000  Uiso   1.00
C3217  C     0.35243   0.17018   0.33148   0.00000  Uiso   1.00
C3218  C     0.33994   0.18518   0.30112   0.00000  Uiso   1.00
C3219  C     0.35222   0.21572   0.29197   0.00000  Uiso   1.00
H3220  H     0.38021   0.16009   0.39024   0.00000  Uiso   1.00
H3221  H     0.36546   0.24261   0.24681   0.00000  Uiso   1.00
H3222  H     0.33289   0.26124   0.27046   0.00000  Uiso   1.00
H3223  H     0.32496   0.22432   0.24702   0.00000  Uiso   1.00
H3224  H     0.44821   0.18970   0.48058   0.00000  Uiso   1.00
H3225  H     0.47580   0.24172   0.46255   0.00000  Uiso   1.00
H3226  H     0.46411   0.26542   0.40609   0.00000  Uiso   1.00
H3227  H     0.42652   0.23632   0.36756   0.00000  Uiso   1.00
H3228  H     0.32100   0.17291   0.28541   0.00000  Uiso   1.00
S3229  S     0.50723   0.45977   0.33142   0.00000  Uiso   1.00
O3230  O     0.46681   0.36189   0.36767   0.00000  Uiso   1.00
O3231  O     0.43164   0.33313   0.39686   0.00000  Uiso   1.00
N3232  N     0.48175   0.42279   0.38332   0.00000  Uiso   1.00
N3233  N     0.44693   0.35879   0.39059   0.00000  Uiso   1.00
N3234  N     0.52709   0.48102   0.45443   0.00000  Uiso   1.00
C3235  C     0.52411   0.47622   0.42597   0.00000  Uiso   1.00
C3236  C     0.54491   0.51664   0.30712   0.00000  Uiso   1.00
C3237  C     0.45725   0.41813   0.40851   0.00000  Uiso   1.00
C3238  C     0.44003   0.38702   0.41152   0.00000  Uiso   1.00
C3239  C     0.41514   0.38416   0.43628   0.00000  Uiso   1.00
C3240  C     0.40768   0.41022   0.45802   0.00000  Uiso   1.00
C3241  C     0.42449   0.44039   0.45506   0.00000  Uiso   1.00
C3242  C     0.44858   0.44441   0.43028   0.00000  Uiso   1.00
C3243  C     0.50125   0.44965   0.37320   0.00000  Uiso   1.00
C3244  C     0.52038   0.47394   0.39000   0.00000  Uiso   1.00
C3245  C     0.53704   0.49762   0.36838   0.00000  Uiso   1.00
C3246  C     0.53321   0.49447   0.33459   0.00000  Uiso   1.00
H3247  H     0.47867   0.40639   0.36459   0.00000  Uiso   1.00
H3248  H     0.52362   0.52950   0.29528   0.00000  Uiso   1.00
H3249  H     0.55831   0.50291   0.28737   0.00000  Uiso   1.00
H3250  H     0.56193   0.53562   0.31728   0.00000  Uiso   1.00
H3251  H     0.40123   0.36048   0.43879   0.00000  Uiso   1.00
H3252  H     0.38870   0.40684   0.47763   0.00000  Uiso   1.00
H3253  H     0.41884   0.46102   0.47236   0.00000  Uiso   1.00
H3254  H     0.46088   0.46894   0.42816   0.00000  Uiso   1.00
H3255  H     0.55271   0.51791   0.37831   0.00000  Uiso   1.00
S3256  S     0.05128   0.09935   0.85076   0.00000  Uiso   1.00
O3257  O     0.07268   0.14450   0.76118   0.00000  Uiso   1.00
O3258  O     0.11525   0.12396   0.73496   0.00000  Uiso   1.00
N3259  N     0.07652   0.16027   0.82511   0.00000  Uiso   1.00
N3260  N     0.10188   0.13572   0.75975   0.00000  Uiso   1.00
N3261  N     0.00539   0.21612   0.85123   0.00000  Uiso   1.00
C3262  C     0.01190   0.18796   0.85392   0.00000  Uiso   1.00
C3263  C    -0.00484   0.06421   0.88181   0.00000  Uiso   1.00
C3264  C     0.11020   0.15082   0.81984   0.00000  Uiso   1.00
C3265  C     0.12270   0.13954   0.78858   0.00000  Uiso   1.00
C3266  C     0.15701   0.13154   0.78646   0.00000  Uiso   1.00
C3267  C     0.17829   0.13456   0.81386   0.00000  Uiso   1.00
C3268  C     0.16578   0.14555   0.84430   0.00000  Uiso   1.00
C3269  C     0.13208   0.15352   0.84717   0.00000  Uiso   1.00
C3270  C     0.05215   0.14197   0.84217   0.00000  Uiso   1.00
C3271  C     0.02164   0.15309   0.85533   0.00000  Uiso   1.00
C3272  C     0.00090   0.12744   0.87003   0.00000  Uiso   1.00
C3273  C     0.01250   0.09525   0.87033   0.00000  Uiso   1.00
H3274  H     0.06722   0.17352   0.80603   0.00000  Uiso   1.00
H3275  H     0.01005   0.04963   0.89983   0.00000  Uiso   1.00
H3276  H    -0.01083   0.04730   0.86089   0.00000  Uiso   1.00
H3277  H    -0.02847   0.07084   0.89413   0.00000  Uiso   1.00
H3278  H     0.16761   0.12303   0.76245   0.00000  Uiso   1.00
H3279  H     0.20502   0.12846   0.81154   0.00000  Uiso   1.00
H3280  H     0.18236   0.14828   0.86608   0.00000  Uiso   1.00
H3281  H     0.12233   0.16290   0.87126   0.00000  Uiso   1.00
H3282  H    -0.02363   0.13313   0.88098   0.00000  Uiso   1.00
S3283  S     0.57898   0.81575   0.57753   0.00000  Uiso   1.00
O3284  O     0.48063   0.85319   0.52607   0.00000  Uiso   1.00
O3285  O     0.43928   0.88746   0.53139   0.00000  Uiso   1.00
N3286  N     0.54027   0.86753   0.55192   0.00000  Uiso   1.00
N3287  N     0.46836   0.87932   0.53595   0.00000  Uiso   1.00
N3288  N     0.46029   0.84549   0.60909   0.00000  Uiso   1.00
C3289  C     0.48801   0.83853   0.60379   0.00000  Uiso   1.00
C3290  C     0.58672   0.76091   0.62514   0.00000  Uiso   1.00
C3291  C     0.52327   0.89770   0.55978   0.00000  Uiso   1.00
C3292  C     0.48908   0.90352   0.55226   0.00000  Uiso   1.00
C3293  C     0.47542   0.93480   0.56119   0.00000  Uiso   1.00
C3294  C     0.49416   0.95919   0.57747   0.00000  Uiso   1.00
C3295  C     0.52753   0.95325   0.58478   0.00000  Uiso   1.00
C3296  C     0.54197   0.92298   0.57555   0.00000  Uiso   1.00
C3297  C     0.54359   0.84059   0.57371   0.00000  Uiso   1.00
C3298  C     0.52194   0.82714   0.59801   0.00000  Uiso   1.00
C3299  C     0.53571   0.79956   0.61686   0.00000  Uiso   1.00
C3300  C     0.56728   0.78872   0.60962   0.00000  Uiso   1.00
H3301  H     0.56299   0.87333   0.54281   0.00000  Uiso   1.00
H3302  H     0.61023   0.76972   0.63653   0.00000  Uiso   1.00
H3303  H     0.59331   0.74125   0.60699   0.00000  Uiso   1.00
H3304  H     0.57181   0.74927   0.64504   0.00000  Uiso   1.00
H3305  H     0.44907   0.94025   0.55527   0.00000  Uiso   1.00
H3306  H     0.48265   0.98310   0.58476   0.00000  Uiso   1.00
H3307  H     0.54237   0.97233   0.59796   0.00000  Uiso   1.00
H3308  H     0.56855   0.91860   0.58157   0.00000  Uiso   1.00
H3309  H     0.52148   0.78721   0.63689   0.00000  Uiso   1.00
S3310  S     0.21368   1.00086   0.09398   0.00000  Uiso   1.00
O3311  O     0.18508   1.04746   0.19969   0.00000  Uiso   1.00
O3312  O     0.19858   1.06165   0.25011   0.00000  Uiso   1.00
N3313  N     0.22851   1.01953   0.15980   0.00000  Uiso   1.00
N3314  N     0.20491   1.04969   0.22277   0.00000  Uiso   1.00
N3315  N     0.25390   0.93084   0.19048   0.00000  Uiso   1.00
C3316  C     0.24688   0.94453   0.16584   0.00000  Uiso   1.00
C3317  C     0.21158   0.94828   0.04323   0.00000  Uiso   1.00
C3318  C     0.24945   1.02266   0.18811   0.00000  Uiso   1.00
C3319  C     0.23826   1.03769   0.21836   0.00000  Uiso   1.00
C3320  C     0.26110   1.04023   0.24509   0.00000  Uiso   1.00
C3321  C     0.29364   1.02825   0.24271   0.00000  Uiso   1.00
C3322  C     0.30456   1.01382   0.21313   0.00000  Uiso   1.00
C3323  C     0.28275   1.01124   0.18616   0.00000  Uiso   1.00
C3324  C     0.22770   0.99540   0.13473   0.00000  Uiso   1.00
C3325  C     0.23609   0.96133   0.13560   0.00000  Uiso   1.00
C3326  C     0.23130   0.94361   0.10449   0.00000  Uiso   1.00
C3327  C     0.21876   0.96073   0.07769   0.00000  Uiso   1.00
H3328  H     0.20875   1.03491   0.15972   0.00000  Uiso   1.00
H3329  H     0.22675   0.96111   0.02412   0.00000  Uiso   1.00
H3330  H     0.18514   0.95169   0.03621   0.00000  Uiso   1.00
H3331  H     0.21723   0.92145   0.04175   0.00000  Uiso   1.00
H3332  H     0.25302   1.05177   0.26880   0.00000  Uiso   1.00
H3333  H     0.31054   1.03023   0.26429   0.00000  Uiso   1.00
H3334  H     0.33036   1.00458   0.21097   0.00000  Uiso   1.00
H3335  H     0.29204   1.00025   0.16265   0.00000  Uiso   1.00
H3336  H     0.23701   0.91686   0.10179   0.00000  Uiso   1.00
S3337  S     0.66291   0.50802   0.52496   0.00000  Uiso   1.00
O3338  O     0.68685   0.44010   0.63019   0.00000  Uiso   1.00
O3339  O     0.72192   0.40445   0.65063   0.00000  Uiso   1.00
N3340  N     0.69138   0.46009   0.56777   0.00000  Uiso   1.00
N3341  N     0.70956   0.41995   0.62742   0.00000  Uiso   1.00
N3342  N     0.62672   0.38982   0.54825   0.00000  Uiso   1.00
C3343  C     0.63314   0.41712   0.54073   0.00000  Uiso   1.00
C3344  C     0.61112   0.52502   0.47606   0.00000  Uiso   1.00
C3345  C     0.71259   0.43182   0.56597   0.00000  Uiso   1.00
C3346  C     0.72186   0.41276   0.59463   0.00000  Uiso   1.00
C3347  C     0.74378   0.38551   0.59005   0.00000  Uiso   1.00
C3348  C     0.75629   0.37704   0.55869   0.00000  Uiso   1.00
C3349  C     0.74721   0.39567   0.53087   0.00000  Uiso   1.00
C3350  C     0.72558   0.42266   0.53449   0.00000  Uiso   1.00
C3351  C     0.66710   0.46940   0.54435   0.00000  Uiso   1.00
C3352  C     0.64040   0.45123   0.53095   0.00000  Uiso   1.00
C3353  C     0.61984   0.46916   0.50720   0.00000  Uiso   1.00
C3354  C     0.62783   0.50158   0.49990   0.00000  Uiso   1.00
H3355  H     0.68423   0.46481   0.59131   0.00000  Uiso   1.00
H3356  H     0.62776   0.53267   0.45547   0.00000  Uiso   1.00
H3357  H     0.60223   0.54800   0.48839   0.00000  Uiso   1.00
H3358  H     0.58935   0.51260   0.46486   0.00000  Uiso   1.00
H3359  H     0.75096   0.37006   0.61179   0.00000  Uiso   1.00
H3360  H     0.77309   0.35545   0.55584   0.00000  Uiso   1.00
H3361  H     0.75709   0.38904   0.50607   0.00000  Uiso   1.00
H3362  H     0.71885   0.43750   0.51223   0.00000  Uiso   1.00
H3363  H     0.59804   0.45765   0.49501   0.00000  Uiso   1.00
S3364  S     0.76320   0.67446   0.45228   0.00000  Uiso   1.00
O3365  O     0.70400   0.70913   0.35785   0.00000  Uiso   1.00
O3366  O     0.66290   0.70449   0.32318   0.00000  Uiso   1.00
N3367  N     0.71480   0.66415   0.40353   0.00000  Uiso   1.00
N3368  N     0.68000   0.69427   0.34628   0.00000  Uiso   1.00
N3369  N     0.73940   0.56926   0.38701   0.00000  Uiso   1.00
C3370  C     0.74724   0.59261   0.40241   0.00000  Uiso   1.00
C3371  C     0.81867   0.64858   0.49209   0.00000  Uiso   1.00
C3372  C     0.68617   0.64906   0.38916   0.00000  Uiso   1.00
C3373  C     0.66929   0.66367   0.36144   0.00000  Uiso   1.00
C3374  C     0.64103   0.64696   0.34854   0.00000  Uiso   1.00
C3375  C     0.62889   0.61766   0.36281   0.00000  Uiso   1.00
C3376  C     0.64478   0.60406   0.39046   0.00000  Uiso   1.00
C3377  C     0.67320   0.61952   0.40325   0.00000  Uiso   1.00
C3378  C     0.74081   0.65171   0.42292   0.00000  Uiso   1.00
C3379  C     0.75651   0.62029   0.42387   0.00000  Uiso   1.00
C3380  C     0.78369   0.61760   0.44751   0.00000  Uiso   1.00
C3381  C     0.79191   0.64490   0.46633   0.00000  Uiso   1.00
H3382  H     0.71604   0.68892   0.40004   0.00000  Uiso   1.00
H3383  H     0.80868   0.65586   0.51671   0.00000  Uiso   1.00
H3384  H     0.83741   0.66754   0.48506   0.00000  Uiso   1.00
H3385  H     0.83180   0.62467   0.49515   0.00000  Uiso   1.00
H3386  H     0.62789   0.65721   0.32653   0.00000  Uiso   1.00
H3387  H     0.60667   0.60541   0.35219   0.00000  Uiso   1.00
H3388  H     0.63498   0.58118   0.40219   0.00000  Uiso   1.00
H3389  H     0.68528   0.60866   0.42549   0.00000  Uiso   1.00
H3390  H     0.79832   0.59452   0.45033   0.00000  Uiso   1.00
S3391  S     0.49621   0.53040   0.07697   0.00000  Uiso   1.00
O3392  O     0.46047   0.61412   0.00787   0.00000  Uiso   1.00
O3393  O     0.48908   0.65763  -0.00633   0.00000  Uiso   1.00
N3394  N     0.46219   0.59118   0.06939   0.00000  Uiso   1.00
N3395  N     0.48046   0.63639   0.01384   0.00000  Uiso   1.00
N3396  N     0.38660   0.56741   0.12583   0.00000  Uiso   1.00
C3397  C     0.41203   0.55671   0.11670   0.00000  Uiso   1.00
C3398  C     0.49980   0.46467   0.10837   0.00000  Uiso   1.00
C3399  C     0.48644   0.61664   0.07315   0.00000  Uiso   1.00
C3400  C     0.49505   0.63859   0.04646   0.00000  Uiso   1.00
C3401  C     0.51911   0.66351   0.05283   0.00000  Uiso   1.00
C3402  C     0.53380   0.66751   0.08412   0.00000  Uiso   1.00
C3403  C     0.52511   0.64631   0.11015   0.00000  Uiso   1.00
C3404  C     0.50200   0.62090   0.10455   0.00000  Uiso   1.00
C3405  C     0.46444   0.55923   0.08324   0.00000  Uiso   1.00
C3406  C     0.44274   0.54212   0.10461   0.00000  Uiso   1.00
C3407  C     0.45303   0.50875   0.11382   0.00000  Uiso   1.00
C3408  C     0.48247   0.49688   0.10114   0.00000  Uiso   1.00
H3409  H     0.45365   0.59083   0.04579   0.00000  Uiso   1.00
H3410  H     0.52310   0.46824   0.12270   0.00000  Uiso   1.00
H3411  H     0.50616   0.45078   0.08555   0.00000  Uiso   1.00
H3412  H     0.48334   0.44863   0.12326   0.00000  Uiso   1.00
H3413  H     0.52652   0.68076   0.03264   0.00000  Uiso   1.00
H3414  H     0.55225   0.68750   0.08830   0.00000  Uiso   1.00
H3415  H     0.53625   0.64972   0.13511   0.00000  Uiso   1.00
H3416  H     0.49511   0.60433   0.12554   0.00000  Uiso   1.00
H3417  H     0.43800   0.49273   0.13040   0.00000  Uiso   1.00
S3418  S     0.44250   0.48290   0.69388   0.00000  Uiso   1.00
O3419  O     0.42823   0.56552   0.62070   0.00000  Uiso   1.00
O3420  O     0.42165   0.61689   0.60563   0.00000  Uiso   1.00
N3421  N     0.42059   0.54716   0.68225   0.00000  Uiso   1.00
N3422  N     0.42160   0.59471   0.62663   0.00000  Uiso   1.00
N3423  N     0.34819   0.54199   0.75401   0.00000  Uiso   1.00
C3424  C     0.36954   0.52722   0.74094   0.00000  Uiso   1.00
C3425  C     0.43746   0.42018   0.73118   0.00000  Uiso   1.00
C3426  C     0.41253   0.58139   0.68732   0.00000  Uiso   1.00
C3427  C     0.41326   0.60440   0.66009   0.00000  Uiso   1.00
C3428  C     0.40560   0.63818   0.66659   0.00000  Uiso   1.00
C3429  C     0.39796   0.64946   0.69856   0.00000  Uiso   1.00
C3430  C     0.39774   0.62711   0.72503   0.00000  Uiso   1.00
C3431  C     0.40522   0.59360   0.71945   0.00000  Uiso   1.00
C3432  C     0.41763   0.51789   0.70070   0.00000  Uiso   1.00
C3433  C     0.39627   0.50735   0.72667   0.00000  Uiso   1.00
C3434  C     0.40211   0.47362   0.73827   0.00000  Uiso   1.00
C3435  C     0.42681   0.45512   0.72355   0.00000  Uiso   1.00
H3436  H     0.43735   0.54482   0.66378   0.00000  Uiso   1.00
H3437  H     0.46397   0.41851   0.73859   0.00000  Uiso   1.00
H3438  H     0.43393   0.40307   0.70991   0.00000  Uiso   1.00
H3439  H     0.42247   0.41054   0.75204   0.00000  Uiso   1.00
H3440  H     0.40595   0.65637   0.64590   0.00000  Uiso   1.00
H3441  H     0.39254   0.67603   0.70299   0.00000  Uiso   1.00
H3442  H     0.39205   0.63593   0.75040   0.00000  Uiso   1.00
H3443  H     0.40677   0.57694   0.74126   0.00000  Uiso   1.00
H3444  H     0.38708   0.46231   0.75835   0.00000  Uiso   1.00
S3445  S     0.33596   0.33974   0.46812   0.00000  Uiso   1.00
O3446  O     0.44661   0.32845   0.47582   0.00000  Uiso   1.00
O3447  O     0.49333   0.31424   0.49865   0.00000  Uiso   1.00
N3448  N     0.38933   0.31063   0.50162   0.00000  Uiso   1.00
N3449  N     0.46282   0.31517   0.49797   0.00000  Uiso   1.00
N3450  N     0.34122   0.31345   0.59138   0.00000  Uiso   1.00
C3451  C     0.33835   0.31845   0.56296   0.00000  Uiso   1.00
C3452  C     0.26866   0.36939   0.47062   0.00000  Uiso   1.00
C3453  C     0.41023   0.29278   0.52406   0.00000  Uiso   1.00
C3454  C     0.44579   0.29548   0.52255   0.00000  Uiso   1.00
C3455  C     0.46487   0.27818   0.54666   0.00000  Uiso   1.00
C3456  C     0.45006   0.25847   0.57116   0.00000  Uiso   1.00
C3457  C     0.41563   0.25462   0.57153   0.00000  Uiso   1.00
C3458  C     0.39613   0.27114   0.54794   0.00000  Uiso   1.00
C3459  C     0.35659   0.32256   0.50240   0.00000  Uiso   1.00
C3460  C     0.33282   0.32631   0.52810   0.00000  Uiso   1.00
C3461  C     0.30155   0.34119   0.51794   0.00000  Uiso   1.00
C3462  C     0.29766   0.35115   0.48552   0.00000  Uiso   1.00
H3463  H     0.40156   0.31768   0.48093   0.00000  Uiso   1.00
H3464  H     0.25814   0.35662   0.44868   0.00000  Uiso   1.00
H3465  H     0.27535   0.39488   0.46257   0.00000  Uiso   1.00
H3466  H     0.24860   0.37152   0.48926   0.00000  Uiso   1.00
H3467  H     0.49236   0.28071   0.54676   0.00000  Uiso   1.00
H3468  H     0.46568   0.24603   0.59006   0.00000  Uiso   1.00
H3469  H     0.40368   0.23899   0.59066   0.00000  Uiso   1.00
H3470  H     0.36904   0.26641   0.54797   0.00000  Uiso   1.00
H3471  H     0.28095   0.34513   0.53564   0.00000  Uiso   1.00
S3472  S     0.55073   0.75348   0.40338   0.00000  Uiso   1.00
O3473  O     0.49502   0.84460   0.35820   0.00000  Uiso   1.00
O3474  O     0.46100   0.86740   0.32304   0.00000  Uiso   1.00
N3475  N     0.50929   0.78116   0.35513   0.00000  Uiso   1.00
N3476  N     0.47700   0.84365   0.33358   0.00000  Uiso   1.00
N3477  N     0.56044   0.74435   0.27757   0.00000  Uiso   1.00
C3478  C     0.55969   0.74454   0.30664   0.00000  Uiso   1.00
C3479  C     0.60912   0.71319   0.42015   0.00000  Uiso   1.00
C3480  C     0.48850   0.78237   0.32658   0.00000  Uiso   1.00
C3481  C     0.47275   0.81260   0.31625   0.00000  Uiso   1.00
C3482  C     0.45246   0.81156   0.28746   0.00000  Uiso   1.00
C3483  C     0.44680   0.78203   0.26997   0.00000  Uiso   1.00
C3484  C     0.46174   0.75257   0.28043   0.00000  Uiso   1.00
C3485  C     0.48235   0.75282   0.30843   0.00000  Uiso   1.00
C3486  C     0.53660   0.76128   0.36308   0.00000  Uiso   1.00
C3487  C     0.55980   0.74405   0.34297   0.00000  Uiso   1.00
C3488  C     0.58539   0.72646   0.36147   0.00000  Uiso   1.00
C3489  C     0.58534   0.72820   0.39562   0.00000  Uiso   1.00
H3490  H     0.50440   0.79926   0.37172   0.00000  Uiso   1.00
H3491  H     0.59648   0.69725   0.43873   0.00000  Uiso   1.00
H3492  H     0.62327   0.73230   0.43409   0.00000  Uiso   1.00
H3493  H     0.62732   0.69749   0.40692   0.00000  Uiso   1.00
H3494  H     0.44061   0.83469   0.27816   0.00000  Uiso   1.00
H3495  H     0.43036   0.78201   0.24790   0.00000  Uiso   1.00
H3496  H     0.45728   0.72928   0.26650   0.00000  Uiso   1.00
H3497  H     0.49336   0.72902   0.31683   0.00000  Uiso   1.00
H3498  H     0.60520   0.71234   0.34875   0.00000  Uiso   1.00
S3499  S     0.25744   0.37442   0.59624   0.00000  Uiso   1.00
O3500  O     0.33583   0.42633   0.51208   0.00000  Uiso   1.00
O3501  O     0.36315   0.47197   0.50300   0.00000  Uiso   1.00
N3502  N     0.31257   0.41218   0.57246   0.00000  Uiso   1.00
N3503  N     0.34898   0.45223   0.52145   0.00000  Uiso   1.00
N3504  N     0.26410   0.49326   0.55580   0.00000  Uiso   1.00
C3505  C     0.25939   0.46669   0.56646   0.00000  Uiso   1.00
C3506  C     0.18572   0.37266   0.61089   0.00000  Uiso   1.00
C3507  C     0.33191   0.44061   0.58061   0.00000  Uiso   1.00
C3508  C     0.34926   0.46004   0.55634   0.00000  Uiso   1.00
C3509  C     0.36680   0.48847   0.56762   0.00000  Uiso   1.00
C3510  C     0.36857   0.49683   0.60134   0.00000  Uiso   1.00
C3511  C     0.35211   0.47743   0.62486   0.00000  Uiso   1.00
C3512  C     0.33345   0.45003   0.61452   0.00000  Uiso   1.00
C3513  C     0.27871   0.40919   0.58108   0.00000  Uiso   1.00
C3514  C     0.25343   0.43332   0.57913   0.00000  Uiso   1.00
C3515  C     0.22058   0.42236   0.58935   0.00000  Uiso   1.00
C3516  C     0.21687   0.39010   0.60002   0.00000  Uiso   1.00
H3517  H     0.31656   0.40574   0.54855   0.00000  Uiso   1.00
H3518  H     0.18759   0.36294   0.63655   0.00000  Uiso   1.00
H3519  H     0.17940   0.35136   0.59460   0.00000  Uiso   1.00
H3520  H     0.16467   0.39024   0.61027   0.00000  Uiso   1.00
H3521  H     0.38006   0.50432   0.54938   0.00000  Uiso   1.00
H3522  H     0.38288   0.51890   0.60931   0.00000  Uiso   1.00
H3523  H     0.35346   0.48406   0.65150   0.00000  Uiso   1.00
H3524  H     0.31949   0.43547   0.63335   0.00000  Uiso   1.00
H3525  H     0.19872   0.43902   0.58840   0.00000  Uiso   1.00
S3526  S     0.87201   0.39192   0.46351   0.00000  Uiso   1.00
O3527  O     0.79576   0.40157   0.37869   0.00000  Uiso   1.00
O3528  O     0.74835   0.39164   0.35484   0.00000  Uiso   1.00
N3529  N     0.81216   0.37147   0.43445   0.00000  Uiso   1.00
N3530  N     0.76931   0.38651   0.37644   0.00000  Uiso   1.00
N3531  N     0.84055   0.27541   0.42692   0.00000  Uiso   1.00
C3532  C     0.84827   0.30124   0.43765   0.00000  Uiso   1.00
C3533  C     0.93915   0.37507   0.48720   0.00000  Uiso   1.00
C3534  C     0.78363   0.35194   0.42677   0.00000  Uiso   1.00
C3535  C     0.76251   0.35967   0.39915   0.00000  Uiso   1.00
C3536  C     0.73401   0.33958   0.39396   0.00000  Uiso   1.00
C3537  C     0.72646   0.31264   0.41463   0.00000  Uiso   1.00
C3538  C     0.74727   0.30500   0.44129   0.00000  Uiso   1.00
C3539  C     0.77529   0.32468   0.44744   0.00000  Uiso   1.00
C3540  C     0.84330   0.36340   0.44771   0.00000  Uiso   1.00
C3541  C     0.86072   0.33290   0.45006   0.00000  Uiso   1.00
C3542  C     0.89392   0.33534   0.46412   0.00000  Uiso   1.00
C3543  C     0.90566   0.36606   0.47337   0.00000  Uiso   1.00
H3544  H     0.80997   0.39557   0.42770   0.00000  Uiso   1.00
H3545  H     0.93747   0.38731   0.51183   0.00000  Uiso   1.00
H3546  H     0.95316   0.39202   0.47058   0.00000  Uiso   1.00
H3547  H     0.95411   0.35226   0.49021   0.00000  Uiso   1.00
H3548  H     0.71725   0.34476   0.37265   0.00000  Uiso   1.00
H3549  H     0.70442   0.29704   0.40934   0.00000  Uiso   1.00
H3550  H     0.74201   0.28313   0.45715   0.00000  Uiso   1.00
H3551  H     0.79128   0.31850   0.46907   0.00000  Uiso   1.00
H3552  H     0.91008   0.31333   0.46710   0.00000  Uiso   1.00
S3553  S     0.78671   0.14149   0.89273   0.00000  Uiso   1.00
O3554  O     0.88614   0.18449   0.91051   0.00000  Uiso   1.00
O3555  O     0.93813   0.17029   0.91187   0.00000  Uiso   1.00
N3556  N     0.83986   0.14667   0.93673   0.00000  Uiso   1.00
N3557  N     0.90865   0.16535   0.91799   0.00000  Uiso   1.00
N3558  N     0.78510   0.11150   1.01546   0.00000  Uiso   1.00
C3559  C     0.78489   0.11825   0.98723   0.00000  Uiso   1.00
C3560  C     0.71743   0.12292   0.87972   0.00000  Uiso   1.00
C3561  C     0.86744   0.12546   0.94381   0.00000  Uiso   1.00
C3562  C     0.90067   0.13450   0.93434   0.00000  Uiso   1.00
C3563  C     0.92663   0.11157   0.94098   0.00000  Uiso   1.00
C3564  C     0.92070   0.08080   0.95602   0.00000  Uiso   1.00
C3565  C     0.88850   0.07229   0.96559   0.00000  Uiso   1.00
C3566  C     0.86232   0.09437   0.95958   0.00000  Uiso   1.00
C3567  C     0.80670   0.13777   0.93109   0.00000  Uiso   1.00
C3568  C     0.78137   0.12486   0.95181   0.00000  Uiso   1.00
C3569  C     0.74983   0.11890   0.93530   0.00000  Uiso   1.00
C3570  C     0.74694   0.12653   0.90214   0.00000  Uiso   1.00
H3571  H     0.84686   0.16408   0.92003   0.00000  Uiso   1.00
H3572  H     0.72281   0.10645   0.85837   0.00000  Uiso   1.00
H3573  H     0.70896   0.14703   0.86943   0.00000  Uiso   1.00
H3574  H     0.69651   0.11192   0.89368   0.00000  Uiso   1.00
H3575  H     0.95264   0.11782   0.93416   0.00000  Uiso   1.00
H3576  H     0.94148   0.06333   0.96035   0.00000  Uiso   1.00
H3577  H     0.88362   0.04810   0.97774   0.00000  Uiso   1.00
H3578  H     0.83709   0.08666   0.96734   0.00000  Uiso   1.00
H3579  H     0.72803   0.10885   0.94868   0.00000  Uiso   1.00
S3580  S     0.88277   0.87786   0.55079   0.00000  Uiso   1.00
O3581  O     0.80636   0.85644   0.62462   0.00000  Uiso   1.00
O3582  O     0.76793   0.82622   0.64762   0.00000  Uiso   1.00
N3583  N     0.85296   0.82848   0.58815   0.00000  Uiso   1.00
N3584  N     0.79397   0.82954   0.63202   0.00000  Uiso   1.00
N3585  N     0.87112   0.75693   0.51646   0.00000  Uiso   1.00
C3586  C     0.87191   0.78540   0.52211   0.00000  Uiso   1.00
C3587  C     0.91665   0.89964   0.48984   0.00000  Uiso   1.00
C3588  C     0.83947   0.79864   0.60172   0.00000  Uiso   1.00
C3589  C     0.81083   0.79929   0.62298   0.00000  Uiso   1.00
C3590  C     0.79843   0.76857   0.63513   0.00000  Uiso   1.00
C3591  C     0.81298   0.73815   0.62676   0.00000  Uiso   1.00
C3592  C     0.84110   0.73771   0.60657   0.00000  Uiso   1.00
C3593  C     0.85449   0.76761   0.59486   0.00000  Uiso   1.00
C3594  C     0.86885   0.83740   0.55851   0.00000  Uiso   1.00
C3595  C     0.87724   0.82059   0.52870   0.00000  Uiso   1.00
C3596  C     0.89343   0.84112   0.50375   0.00000  Uiso   1.00
C3597  C     0.89924   0.87405   0.51064   0.00000  Uiso   1.00
H3598  H     0.84463   0.84870   0.60037   0.00000  Uiso   1.00
H3599  H     0.93971   0.90882   0.50176   0.00000  Uiso   1.00
H3600  H     0.90089   0.92169   0.48499   0.00000  Uiso   1.00
H3601  H     0.92375   0.88867   0.46568   0.00000  Uiso   1.00
H3602  H     0.77620   0.76827   0.65148   0.00000  Uiso   1.00
H3603  H     0.80221   0.71466   0.63618   0.00000  Uiso   1.00
H3604  H     0.85248   0.71374   0.59955   0.00000  Uiso   1.00
H3605  H     0.87783   0.76669   0.58041   0.00000  Uiso   1.00
H3606  H     0.90163   0.83080   0.47960   0.00000  Uiso   1.00
S3607  S     0.01278   0.51285   0.64313   0.00000  Uiso   1.00
O3608  O     0.02325   0.49989   0.75556   0.00000  Uiso   1.00
O3609  O     0.03676   0.51629   0.80517   0.00000  Uiso   1.00
N3610  N     0.02413   0.54108   0.70530   0.00000  Uiso   1.00
N3611  N     0.03135   0.52146   0.77559   0.00000  Uiso   1.00
N3612  N     0.09409   0.60611   0.66963   0.00000  Uiso   1.00
C3613  C     0.07593   0.58454   0.66276   0.00000  Uiso   1.00
C3614  C     0.02711   0.51188   0.57118   0.00000  Uiso   1.00
C3615  C     0.02917   0.56517   0.73071   0.00000  Uiso   1.00
C3616  C     0.03292   0.55556   0.76483   0.00000  Uiso   1.00
C3617  C     0.03888   0.58088   0.78862   0.00000  Uiso   1.00
C3618  C     0.04001   0.61447   0.77972   0.00000  Uiso   1.00
C3619  C     0.03476   0.62381   0.74676   0.00000  Uiso   1.00
C3620  C     0.02955   0.59941   0.72257   0.00000  Uiso   1.00
C3621  C     0.03122   0.54029   0.67133   0.00000  Uiso   1.00
C3622  C     0.05350   0.55859   0.65110   0.00000  Uiso   1.00
C3623  C     0.05323   0.54923   0.61627   0.00000  Uiso   1.00
C3624  C     0.03225   0.52438   0.60592   0.00000  Uiso   1.00
H3625  H     0.01464   0.51968   0.71409   0.00000  Uiso   1.00
H3626  H     0.00115   0.51500   0.56252   0.00000  Uiso   1.00
H3627  H     0.03355   0.48535   0.56859   0.00000  Uiso   1.00
H3628  H     0.04322   0.52597   0.55398   0.00000  Uiso   1.00
H3629  H     0.04256   0.57419   0.81514   0.00000  Uiso   1.00
H3630  H     0.04448   0.63368   0.79887   0.00000  Uiso   1.00
H3631  H     0.03472   0.65044   0.73992   0.00000  Uiso   1.00
H3632  H     0.02475   0.60758   0.69672   0.00000  Uiso   1.00
H3633  H     0.06961   0.56134   0.59784   0.00000  Uiso   1.00
S3634  S     0.72138   0.67091   0.53326   0.00000  Uiso   1.00
O3635  O     0.81868   0.62656   0.57955   0.00000  Uiso   1.00
O3636  O     0.84587   0.60264   0.61957   0.00000  Uiso   1.00
N3637  N     0.75734   0.64716   0.58793   0.00000  Uiso   1.00
N3638  N     0.82123   0.61671   0.60831   0.00000  Uiso   1.00
N3639  N     0.72833   0.72107   0.64900   0.00000  Uiso   1.00
C3640  C     0.72531   0.71116   0.62187   0.00000  Uiso   1.00
C3641  C     0.67506   0.72018   0.50521   0.00000  Uiso   1.00
C3642  C     0.76289   0.63577   0.62111   0.00000  Uiso   1.00
C3643  C     0.79372   0.62084   0.63085   0.00000  Uiso   1.00
C3644  C     0.79720   0.61013   0.66431   0.00000  Uiso   1.00
C3645  C     0.77146   0.61339   0.68748   0.00000  Uiso   1.00
C3646  C     0.74128   0.62737   0.67772   0.00000  Uiso   1.00
C3647  C     0.73712   0.63826   0.64494   0.00000  Uiso   1.00
C3648  C     0.73559   0.67069   0.57434   0.00000  Uiso   1.00
C3649  C     0.72029   0.69937   0.58796   0.00000  Uiso   1.00
C3650  C     0.69900   0.71748   0.56505   0.00000  Uiso   1.00
C3651  C     0.69581   0.70619   0.53295   0.00000  Uiso   1.00
H3652  H     0.76897   0.63315   0.57063   0.00000  Uiso   1.00
H3653  H     0.65560   0.70267   0.49666   0.00000  Uiso   1.00
H3654  H     0.69016   0.72684   0.48315   0.00000  Uiso   1.00
H3655  H     0.66255   0.74305   0.51387   0.00000  Uiso   1.00
H3656  H     0.82097   0.59885   0.67264   0.00000  Uiso   1.00
H3657  H     0.77500   0.60496   0.71342   0.00000  Uiso   1.00
H3658  H     0.72065   0.62999   0.69574   0.00000  Uiso   1.00
H3659  H     0.71263   0.64860   0.63767   0.00000  Uiso   1.00
H3660  H     0.68601   0.74054   0.57258   0.00000  Uiso   1.00
S3661  S     0.56021   0.23286   0.33291   0.00000  Uiso   1.00
O3662  O     0.62038   0.21067   0.23033   0.00000  Uiso   1.00
O3663  O     0.67133   0.22728   0.22350   0.00000  Uiso   1.00
N3664  N     0.57778   0.24496   0.26558   0.00000  Uiso   1.00
N3665  N     0.64320   0.23038   0.23494   0.00000  Uiso   1.00
N3666  N     0.51699   0.18061   0.22672   0.00000  Uiso   1.00
C3667  C     0.52493   0.19073   0.25276   0.00000  Uiso   1.00
C3668  C     0.52249   0.19236   0.38055   0.00000  Uiso   1.00
C3669  C     0.60611   0.26555   0.27100   0.00000  Uiso   1.00
C3670  C     0.63761   0.25881   0.25590   0.00000  Uiso   1.00
C3671  C     0.66431   0.28089   0.26257   0.00000  Uiso   1.00
C3672  C     0.66031   0.30892   0.28279   0.00000  Uiso   1.00
C3673  C     0.62942   0.31556   0.29709   0.00000  Uiso   1.00
C3674  C     0.60289   0.29373   0.29173   0.00000  Uiso   1.00
C3675  C     0.55854   0.22871   0.28963   0.00000  Uiso   1.00
C3676  C     0.53459   0.20330   0.28536   0.00000  Uiso   1.00
C3677  C     0.52069   0.18997   0.31598   0.00000  Uiso   1.00
C3678  C     0.53134   0.20285   0.34581   0.00000  Uiso   1.00
H3679  H     0.57717   0.23524   0.24244   0.00000  Uiso   1.00
H3680  H     0.51279   0.21305   0.39593   0.00000  Uiso   1.00
H3681  H     0.54422   0.18199   0.39399   0.00000  Uiso   1.00
H3682  H     0.50317   0.17286   0.37976   0.00000  Uiso   1.00
H3683  H     0.68911   0.27625   0.25133   0.00000  Uiso   1.00
H3684  H     0.68159   0.32568   0.28756   0.00000  Uiso   1.00
H3685  H     0.62580   0.33777   0.31284   0.00000  Uiso   1.00
H3686  H     0.57859   0.29901   0.30355   0.00000  Uiso   1.00
H3687  H     0.50233   0.16952   0.31606   0.00000  Uiso   1.00
S3688  S     0.72599   0.87933   0.60797   0.00000  Uiso   1.00
O3689  O     0.81890   0.93389   0.62409   0.00000  Uiso   1.00
O3690  O     0.85032   0.97257   0.64454   0.00000  Uiso   1.00
N3691  N     0.76037   0.92105   0.65022   0.00000  Uiso   1.00
N3692  N     0.82475   0.95589   0.64439   0.00000  Uiso   1.00
N3693  N     0.67605   0.96068   0.69033   0.00000  Uiso   1.00
C3694  C     0.68500   0.94216   0.66986   0.00000  Uiso   1.00
C3695  C     0.66288   0.85268   0.58261   0.00000  Uiso   1.00
C3696  C     0.77161   0.94320   0.67546   0.00000  Uiso   1.00
C3697  C     0.80263   0.96054   0.67222   0.00000  Uiso   1.00
C3698  C     0.81157   0.98349   0.69752   0.00000  Uiso   1.00
C3699  C     0.79153   0.98892   0.72544   0.00000  Uiso   1.00
C3700  C     0.76226   0.97075   0.72932   0.00000  Uiso   1.00
C3701  C     0.75281   0.94794   0.70482   0.00000  Uiso   1.00
C3702  C     0.72956   0.90962   0.63889   0.00000  Uiso   1.00
C3703  C     0.69597   0.91748   0.64583   0.00000  Uiso   1.00
C3704  C     0.67178   0.89881   0.62663   0.00000  Uiso   1.00
C3705  C     0.68284   0.87597   0.60380   0.00000  Uiso   1.00
H3706  H     0.77855   0.91550   0.63387   0.00000  Uiso   1.00
H3707  H     0.66669   0.82635   0.58979   0.00000  Uiso   1.00
H3708  H     0.66890   0.85486   0.55584   0.00000  Uiso   1.00
H3709  H     0.63626   0.85853   0.58567   0.00000  Uiso   1.00
H3710  H     0.83501   0.99793   0.69521   0.00000  Uiso   1.00
H3711  H     0.79910   1.00722   0.74451   0.00000  Uiso   1.00
H3712  H     0.74619   0.97432   0.75136   0.00000  Uiso   1.00
H3713  H     0.73026   0.93282   0.70923   0.00000  Uiso   1.00
H3714  H     0.64478   0.90272   0.62971   0.00000  Uiso   1.00
S3715  S     0.41968   0.60087   0.36278   0.00000  Uiso   1.00
O3716  O     0.32251   0.66724   0.37643   0.00000  Uiso   1.00
O3717  O     0.29982   0.71505   0.38711   0.00000  Uiso   1.00
N3718  N     0.38595   0.65676   0.38695   0.00000  Uiso   1.00
N3719  N     0.32389   0.69631   0.38559   0.00000  Uiso   1.00
N3720  N     0.42559   0.65036   0.47882   0.00000  Uiso   1.00
C3721  C     0.42550   0.63816   0.45250   0.00000  Uiso   1.00
C3722  C     0.46596   0.54581   0.37463   0.00000  Uiso   1.00
C3723  C     0.38506   0.69046   0.39802   0.00000  Uiso   1.00
C3724  C     0.35517   0.70978   0.39657   0.00000  Uiso   1.00
C3725  C     0.35669   0.74351   0.40679   0.00000  Uiso   1.00
C3726  C     0.38610   0.75789   0.41852   0.00000  Uiso   1.00
C3727  C     0.41507   0.73889   0.42018   0.00000  Uiso   1.00
C3728  C     0.41452   0.70567   0.40985   0.00000  Uiso   1.00
C3729  C     0.40876   0.63103   0.39206   0.00000  Uiso   1.00
C3730  C     0.42717   0.62136   0.42044   0.00000  Uiso   1.00
C3731  C     0.44755   0.59188   0.41596   0.00000  Uiso   1.00
C3732  C     0.44742   0.57623   0.38559   0.00000  Uiso   1.00
H3733  H     0.36973   0.65216   0.36838   0.00000  Uiso   1.00
H3734  H     0.48281   0.55086   0.35342   0.00000  Uiso   1.00
H3735  H     0.44898   0.52560   0.36673   0.00000  Uiso   1.00
H3736  H     0.48116   0.53638   0.39543   0.00000  Uiso   1.00
H3737  H     0.33412   0.75932   0.40538   0.00000  Uiso   1.00
H3738  H     0.38632   0.78422   0.42650   0.00000  Uiso   1.00
H3739  H     0.43843   0.74999   0.42948   0.00000  Uiso   1.00
H3740  H     0.43800   0.69127   0.41060   0.00000  Uiso   1.00
H3741  H     0.46266   0.58146   0.43640   0.00000  Uiso   1.00
S3742  S     0.69639   0.76196   0.23627   0.00000  Uiso   1.00
O3743  O     0.68826   0.87444   0.23457   0.00000  Uiso   1.00
O3744  O     0.70165   0.92452   0.24941   0.00000  Uiso   1.00
N3745  N     0.72354   0.82274   0.25453   0.00000  Uiso   1.00
N3746  N     0.70650   0.89439   0.24866   0.00000  Uiso   1.00
N3747  N     0.77070   0.78373   0.33620   0.00000  Uiso   1.00
C3748  C     0.75440   0.77700   0.31310   0.00000  Uiso   1.00
C3749  C     0.68914   0.69002   0.24712   0.00000  Uiso   1.00
C3750  C     0.74634   0.84821   0.26394   0.00000  Uiso   1.00
C3751  C     0.73775   0.88283   0.26174   0.00000  Uiso   1.00
C3752  C     0.76108   0.90654   0.27348   0.00000  Uiso   1.00
C3753  C     0.79200   0.89720   0.28628   0.00000  Uiso   1.00
C3754  C     0.80105   0.86375   0.28656   0.00000  Uiso   1.00
C3755  C     0.77860   0.83973   0.27524   0.00000  Uiso   1.00
C3756  C     0.72081   0.78853   0.26055   0.00000  Uiso   1.00
C3757  C     0.73386   0.76680   0.28503   0.00000  Uiso   1.00
C3758  C     0.72394   0.73224   0.28133   0.00000  Uiso   1.00
C3759  C     0.70277   0.72364   0.25594   0.00000  Uiso   1.00
H3760  H     0.70335   0.83195   0.24289   0.00000  Uiso   1.00
H3761  H     0.69745   0.68157   0.22225   0.00000  Uiso   1.00
H3762  H     0.66159   0.68947   0.24728   0.00000  Uiso   1.00
H3763  H     0.69784   0.67149   0.26540   0.00000  Uiso   1.00
H3764  H     0.75509   0.93347   0.27221   0.00000  Uiso   1.00
H3765  H     0.80954   0.91650   0.29503   0.00000  Uiso   1.00
H3766  H     0.82590   0.85624   0.29560   0.00000  Uiso   1.00
H3767  H     0.78698   0.81354   0.27481   0.00000  Uiso   1.00
H3768  H     0.73270   0.71276   0.29859   0.00000  Uiso   1.00
S3769  S     0.67474   1.02085   0.12376   0.00000  Uiso   1.00
O3770  O     0.65368   0.93221   0.05758   0.00000  Uiso   1.00
O3771  O     0.61735   0.90062   0.03326   0.00000  Uiso   1.00
N3772  N     0.63996   0.96160   0.11433   0.00000  Uiso   1.00
N3773  N     0.62595   0.91970   0.05548   0.00000  Uiso   1.00
N3774  N     0.62236   0.94636   0.21078   0.00000  Uiso   1.00
C3775  C     0.63355   0.96593   0.19250   0.00000  Uiso   1.00
C3776  C     0.70284   1.07029   0.16872   0.00000  Uiso   1.00
C3777  C     0.60722   0.95015   0.10717   0.00000  Uiso   1.00
C3778  C     0.60053   0.92998   0.07848   0.00000  Uiso   1.00
C3779  C     0.56722   0.92016   0.07247   0.00000  Uiso   1.00
C3780  C     0.54116   0.92998   0.09325   0.00000  Uiso   1.00
C3781  C     0.54779   0.94900   0.12141   0.00000  Uiso   1.00
C3782  C     0.58037   0.95906   0.12816   0.00000  Uiso   1.00
C3783  C     0.65104   0.98656   0.13582   0.00000  Uiso   1.00
C3784  C     0.64890   0.99037   0.17066   0.00000  Uiso   1.00
C3785  C     0.66550   1.01963   0.18388   0.00000  Uiso   1.00
C3786  C     0.68174   1.04034   0.16206   0.00000  Uiso   1.00
H3787  H     0.65503   0.95928   0.09442   0.00000  Uiso   1.00
H3788  H     0.69530   1.09224   0.15391   0.00000  Uiso   1.00
H3789  H     0.72932   1.06544   0.16282   0.00000  Uiso   1.00
H3790  H     0.70106   1.07715   0.19523   0.00000  Uiso   1.00
H3791  H     0.56134   0.90415   0.05080   0.00000  Uiso   1.00
H3792  H     0.51536   0.92234   0.08778   0.00000  Uiso   1.00
H3793  H     0.52735   0.95590   0.13847   0.00000  Uiso   1.00
H3794  H     0.58461   0.97467   0.15042   0.00000  Uiso   1.00
H3795  H     0.66605   1.02521   0.21080   0.00000  Uiso   1.00
S3796  S     0.07848   0.64067  -0.02883   0.00000  Uiso   1.00
O3797  O     0.13244   0.67539   0.06634   0.00000  Uiso   1.00
O3798  O     0.15272   0.66281   0.11475   0.00000  Uiso   1.00
N3799  N     0.08394   0.64120   0.04023   0.00000  Uiso   1.00
N3800  N     0.13287   0.65876   0.09192   0.00000  Uiso   1.00
N3801  N    -0.01585   0.62994   0.05463   0.00000  Uiso   1.00
C3802  C     0.00518   0.63115   0.03464   0.00000  Uiso   1.00
C3803  C     0.03639   0.63433  -0.08849   0.00000  Uiso   1.00
C3804  C     0.08538   0.62342   0.07093   0.00000  Uiso   1.00
C3805  C     0.10958   0.63178   0.09576   0.00000  Uiso   1.00
C3806  C     0.11067   0.61230   0.12514   0.00000  Uiso   1.00
C3807  C     0.08900   0.58561   0.13040   0.00000  Uiso   1.00
C3808  C     0.06550   0.57760   0.10621   0.00000  Uiso   1.00
C3809  C     0.06391   0.59616   0.07685   0.00000  Uiso   1.00
C3810  C     0.06391   0.63799   0.01203   0.00000  Uiso   1.00
C3811  C     0.02935   0.63290   0.00768   0.00000  Uiso   1.00
C3812  C     0.01861   0.63087  -0.02673   0.00000  Uiso   1.00
C3813  C     0.04177   0.63473  -0.05155   0.00000  Uiso   1.00
H3814  H     0.10620   0.65148   0.03492   0.00000  Uiso   1.00
H3815  H     0.05117   0.61479  -0.10110   0.00000  Uiso   1.00
H3816  H     0.04291   0.65840  -0.10024   0.00000  Uiso   1.00
H3817  H     0.00987   0.62944  -0.09364   0.00000  Uiso   1.00
H3818  H     0.12977   0.61778   0.14428   0.00000  Uiso   1.00
H3819  H     0.09109   0.57041   0.15318   0.00000  Uiso   1.00
H3820  H     0.04857   0.55626   0.10975   0.00000  Uiso   1.00
H3821  H     0.04598   0.58819   0.05758   0.00000  Uiso   1.00
H3822  H    -0.00775   0.62698  -0.03346   0.00000  Uiso   1.00
S3823  S     0.26778   0.56133   0.05598   0.00000  Uiso   1.00
O3824  O     0.27425   0.60770  -0.06823   0.00000  Uiso   1.00
O3825  O     0.31544   0.59576  -0.10108   0.00000  Uiso   1.00
N3826  N     0.27890   0.59869  -0.00347   0.00000  Uiso   1.00
N3827  N     0.30284   0.59834  -0.07339   0.00000  Uiso   1.00
N3828  N     0.19757   0.64767  -0.00196   0.00000  Uiso   1.00
C3829  C     0.21115   0.62846   0.01495   0.00000  Uiso   1.00
C3830  C     0.22400   0.54698   0.11260   0.00000  Uiso   1.00
C3831  C     0.31246   0.59099  -0.01184   0.00000  Uiso   1.00
C3832  C     0.32399   0.59059  -0.04556   0.00000  Uiso   1.00
C3833  C     0.35765   0.58172  -0.05145   0.00000  Uiso   1.00
C3834  C     0.37962   0.57409  -0.02556   0.00000  Uiso   1.00
C3835  C     0.36861   0.57572   0.00725   0.00000  Uiso   1.00
C3836  C     0.33550   0.58400   0.01387   0.00000  Uiso   1.00
C3837  C     0.25982   0.59046   0.02464   0.00000  Uiso   1.00
C3838  C     0.22859   0.60339   0.03439   0.00000  Uiso   1.00
C3839  C     0.21490   0.58967   0.06488   0.00000  Uiso   1.00
C3840  C     0.23258   0.56548   0.08131   0.00000  Uiso   1.00
H3841  H     0.26663   0.61092  -0.02155   0.00000  Uiso   1.00
H3842  H     0.24296   0.55039   0.13234   0.00000  Uiso   1.00
H3843  H     0.22142   0.51984   0.10838   0.00000  Uiso   1.00
H3844  H     0.20004   0.55622   0.12236   0.00000  Uiso   1.00
H3845  H     0.36716   0.58087  -0.07734   0.00000  Uiso   1.00
H3846  H     0.40567   0.56717  -0.03106   0.00000  Uiso   1.00
H3847  H     0.38579   0.57076   0.02812   0.00000  Uiso   1.00
H3848  H     0.32773   0.58651   0.04018   0.00000  Uiso   1.00
H3849  H     0.19070   0.59785   0.07507   0.00000  Uiso   1.00
S3850  S     0.03193   0.73798   0.26858   0.00000  Uiso   1.00
O3851  O     0.12390   0.78500   0.34266   0.00000  Uiso   1.00
O3852  O     0.13972   0.83232   0.36323   0.00000  Uiso   1.00
N3853  N     0.08025   0.78213   0.29458   0.00000  Uiso   1.00
N3854  N     0.12304   0.81545   0.34403   0.00000  Uiso   1.00
N3855  N     0.13405   0.78676   0.21311   0.00000  Uiso   1.00
C3856  C     0.10931   0.77577   0.22351   0.00000  Uiso   1.00
C3857  C     0.00767   0.69953   0.21146   0.00000  Uiso   1.00
C3858  C     0.08144   0.81760   0.29733   0.00000  Uiso   1.00
C3859  C     0.10181   0.83359   0.32161   0.00000  Uiso   1.00
C3860  C     0.10121   0.86881   0.32301   0.00000  Uiso   1.00
C3861  C     0.08084   0.88779   0.30219   0.00000  Uiso   1.00
C3862  C     0.06081   0.87200   0.27875   0.00000  Uiso   1.00
C3863  C     0.06141   0.83730   0.27624   0.00000  Uiso   1.00
C3864  C     0.06708   0.76345   0.26835   0.00000  Uiso   1.00
C3865  C     0.07896   0.76001   0.23547   0.00000  Uiso   1.00
C3866  C     0.05935   0.73818   0.21443   0.00000  Uiso   1.00
C3867  C     0.03169   0.72306   0.22765   0.00000  Uiso   1.00
H3868  H     0.07664   0.77198   0.31736   0.00000  Uiso   1.00
H3869  H    -0.01820   0.70902   0.21172   0.00000  Uiso   1.00
H3870  H     0.00747   0.67483   0.22367   0.00000  Uiso   1.00
H3871  H     0.01479   0.69574   0.18520   0.00000  Uiso   1.00
H3872  H     0.11761   0.88211   0.34066   0.00000  Uiso   1.00
H3873  H     0.08111   0.91525   0.30392   0.00000  Uiso   1.00
H3874  H     0.04503   0.88697   0.26200   0.00000  Uiso   1.00
H3875  H     0.04540   0.82504   0.25748   0.00000  Uiso   1.00
H3876  H     0.06646   0.73329   0.18833   0.00000  Uiso   1.00
S3877  S     0.17502   0.82352   0.27639   0.00000  Uiso   1.00
O3878  O     0.22292   0.72402   0.30235   0.00000  Uiso   1.00
O3879  O     0.26268   0.69415   0.32331   0.00000  Uiso   1.00
N3880  N     0.23168   0.78744   0.29064   0.00000  Uiso   1.00
N3881  N     0.25188   0.71998   0.31110   0.00000  Uiso   1.00
N3882  N     0.28734   0.83614   0.21969   0.00000  Uiso   1.00
C3883  C     0.26110   0.83330   0.23178   0.00000  Uiso   1.00
C3884  C     0.14053   0.87373   0.23692   0.00000  Uiso   1.00
C3885  C     0.26505   0.78036   0.30007   0.00000  Uiso   1.00
C3886  C     0.27476   0.74756   0.30991   0.00000  Uiso   1.00
C3887  C     0.30861   0.74216   0.31821   0.00000  Uiso   1.00
C3888  C     0.33174   0.76814   0.31919   0.00000  Uiso   1.00
C3889  C     0.32160   0.80037   0.31139   0.00000  Uiso   1.00
C3890  C     0.28883   0.80621   0.30131   0.00000  Uiso   1.00
C3891  C     0.21668   0.81245   0.27198   0.00000  Uiso   1.00
C3892  C     0.22767   0.83326   0.24580   0.00000  Uiso   1.00
C3893  C     0.20235   0.85530   0.23255   0.00000  Uiso   1.00
C3894  C     0.17091   0.85414   0.24579   0.00000  Uiso   1.00
H3895  H     0.21507   0.77339   0.30323   0.00000  Uiso   1.00
H3896  H     0.13207   0.88975   0.25762   0.00000  Uiso   1.00
H3897  H     0.11944   0.85743   0.23009   0.00000  Uiso   1.00
H3898  H     0.14581   0.88985   0.21541   0.00000  Uiso   1.00
H3899  H     0.31721   0.71657   0.32378   0.00000  Uiso   1.00
H3900  H     0.35792   0.76323   0.32608   0.00000  Uiso   1.00
H3901  H     0.33935   0.82133   0.31247   0.00000  Uiso   1.00
H3902  H     0.28128   0.83198   0.29510   0.00000  Uiso   1.00
H3903  H     0.20760   0.87256   0.21190   0.00000  Uiso   1.00
S3904  S     0.77553   0.53093   0.64308   0.00000  Uiso   1.00
O3905  O     0.74303   0.55253   0.73832   0.00000  Uiso   1.00
O3906  O     0.72561   0.52542   0.78160   0.00000  Uiso   1.00
N3907  N     0.71695   0.54142   0.67902   0.00000  Uiso   1.00
N3908  N     0.72525   0.53168   0.75173   0.00000  Uiso   1.00
N3909  N     0.65766   0.53948   0.59956   0.00000  Uiso   1.00
C3910  C     0.68567   0.53890   0.60707   0.00000  Uiso   1.00
C3911  C     0.80831   0.51862   0.57894   0.00000  Uiso   1.00
C3912  C     0.69940   0.51614   0.69661   0.00000  Uiso   1.00
C3913  C     0.70369   0.51129   0.73169   0.00000  Uiso   1.00
C3914  C     0.68617   0.48473   0.74694   0.00000  Uiso   1.00
C3915  C     0.66511   0.46365   0.72902   0.00000  Uiso   1.00
C3916  C     0.66055   0.46887   0.69509   0.00000  Uiso   1.00
C3917  C     0.67749   0.49474   0.67925   0.00000  Uiso   1.00
C3918  C     0.73291   0.53698   0.64843   0.00000  Uiso   1.00
C3919  C     0.72061   0.53505   0.61562   0.00000  Uiso   1.00
C3920  C     0.74559   0.52854   0.59041   0.00000  Uiso   1.00
C3921  C     0.77825   0.52540   0.60000   0.00000  Uiso   1.00
H3922  H     0.73272   0.55257   0.69498   0.00000  Uiso   1.00
H3923  H     0.82074   0.49494   0.58551   0.00000  Uiso   1.00
H3924  H     0.82711   0.53869   0.58080   0.00000  Uiso   1.00
H3925  H     0.80061   0.51679   0.55266   0.00000  Uiso   1.00
H3926  H     0.68927   0.47985   0.77387   0.00000  Uiso   1.00
H3927  H     0.65205   0.44308   0.74178   0.00000  Uiso   1.00
H3928  H     0.64384   0.45268   0.68050   0.00000  Uiso   1.00
H3929  H     0.67296   0.49842   0.65243   0.00000  Uiso   1.00
H3930  H     0.73894   0.52602   0.56387   0.00000  Uiso   1.00
S3931  S     0.52412   0.78961   0.49696   0.00000  Uiso   1.00
O3932  O     0.41448   0.74470   0.50343   0.00000  Uiso   1.00
O3933  O     0.37255   0.72809   0.53319   0.00000  Uiso   1.00
N3934  N     0.47269   0.75589   0.53021   0.00000  Uiso   1.00
N3935  N     0.40205   0.73506   0.52959   0.00000  Uiso   1.00
N3936  N     0.53034   0.68228   0.56272   0.00000  Uiso   1.00
C3937  C     0.53138   0.70758   0.54856   0.00000  Uiso   1.00
C3938  C     0.59522   0.79363   0.48017   0.00000  Uiso   1.00
C3939  C     0.45644   0.74401   0.55944   0.00000  Uiso   1.00
C3940  C     0.42221   0.73419   0.55916   0.00000  Uiso   1.00
C3941  C     0.40794   0.72286   0.58938   0.00000  Uiso   1.00
C3942  C     0.42593   0.72236   0.61916   0.00000  Uiso   1.00
C3943  C     0.45898   0.73270   0.61946   0.00000  Uiso   1.00
C3944  C     0.47408   0.74293   0.58986   0.00000  Uiso   1.00
C3945  C     0.50633   0.75883   0.52190   0.00000  Uiso   1.00
C3946  C     0.53387   0.73839   0.52975   0.00000  Uiso   1.00
C3947  C     0.56542   0.74931   0.51606   0.00000  Uiso   1.00
C3948  C     0.56601   0.77749   0.49678   0.00000  Uiso   1.00
H3949  H     0.45712   0.76816   0.51491   0.00000  Uiso   1.00
H3950  H     0.59880   0.81964   0.48849   0.00000  Uiso   1.00
H3951  H     0.59277   0.79400   0.45277   0.00000  Uiso   1.00
H3952  H     0.61813   0.77980   0.48627   0.00000  Uiso   1.00
H3953  H     0.38185   0.71392   0.58963   0.00000  Uiso   1.00
H3954  H     0.41422   0.71376   0.64250   0.00000  Uiso   1.00
H3955  H     0.47314   0.73258   0.64303   0.00000  Uiso   1.00
H3956  H     0.50035   0.75099   0.59070   0.00000  Uiso   1.00
H3957  H     0.58874   0.73538   0.52033   0.00000  Uiso   1.00
S3958  S     0.98679  -0.01340   0.28759   0.00000  Uiso   1.00
O3959  O     1.01637   0.07139   0.21345   0.00000  Uiso   1.00
O3960  O     1.03346   0.12248   0.20956   0.00000  Uiso   1.00
N3961  N     0.97981   0.05188   0.26340   0.00000  Uiso   1.00
N3962  N     1.01813   0.10013   0.22363   0.00000  Uiso   1.00
N3963  N     0.88339   0.05940   0.29203   0.00000  Uiso   1.00
C3964  C     0.90635   0.04171   0.29087   0.00000  Uiso   1.00
C3965  C     0.95800  -0.07024   0.32314   0.00000  Uiso   1.00
C3966  C     0.98159   0.08609   0.27293   0.00000  Uiso   1.00
C3967  C     1.00094   0.10924   0.25378   0.00000  Uiso   1.00
C3968  C     1.00325   0.14246   0.26533   0.00000  Uiso   1.00
C3969  C     0.98651   0.15314   0.29390   0.00000  Uiso   1.00
C3970  C     0.96733   0.13072   0.31217   0.00000  Uiso   1.00
C3971  C     0.96519   0.09748   0.30205   0.00000  Uiso   1.00
C3972  C     0.96608   0.02400   0.27915   0.00000  Uiso   1.00
C3973  C     0.93383   0.01804   0.29198   0.00000  Uiso   1.00
C3974  C     0.92918  -0.01451   0.30703   0.00000  Uiso   1.00
C3975  C     0.95549  -0.03638   0.30751   0.00000  Uiso   1.00
H3976  H     0.99870   0.04564   0.24814   0.00000  Uiso   1.00
H3977  H     0.97505  -0.07007   0.34486   0.00000  Uiso   1.00
H3978  H     0.96754  -0.08942   0.30572   0.00000  Uiso   1.00
H3979  H     0.93326  -0.07827   0.33204   0.00000  Uiso   1.00
H3980  H     1.01844   0.16083   0.25133   0.00000  Uiso   1.00
H3981  H     0.98826   0.17949   0.30164   0.00000  Uiso   1.00
H3982  H     0.95375   0.13904   0.33459   0.00000  Uiso   1.00
H3983  H     0.95043   0.08005   0.31755   0.00000  Uiso   1.00
H3984  H     0.90499  -0.02216   0.31772   0.00000  Uiso   1.00
S3985  S     0.60445   0.54578   0.66380   0.00000  Uiso   1.00
O3986  O     0.60845   0.65126   0.70812   0.00000  Uiso   1.00
O3987  O     0.58367   0.69138   0.73440   0.00000  Uiso   1.00
N3988  N     0.58523   0.58975   0.71357   0.00000  Uiso   1.00
N3989  N     0.58837   0.66178   0.72851   0.00000  Uiso   1.00
N3990  N     0.49257   0.55043   0.72219   0.00000  Uiso   1.00
C3991  C     0.51767   0.54776   0.70785   0.00000  Uiso   1.00
C3992  C     0.58778   0.49140   0.61788   0.00000  Uiso   1.00
C3993  C     0.57022   0.60344   0.74251   0.00000  Uiso   1.00
C3994  C     0.57169   0.63833   0.74971   0.00000  Uiso   1.00
C3995  C     0.55562   0.64998   0.77885   0.00000  Uiso   1.00
C3996  C     0.53867   0.62853   0.80033   0.00000  Uiso   1.00
C3997  C     0.53778   0.59454   0.79357   0.00000  Uiso   1.00
C3998  C     0.55380   0.58219   0.76529   0.00000  Uiso   1.00
C3999  C     0.57747   0.56241   0.69349   0.00000  Uiso   1.00
C4000  C     0.54840   0.54312   0.68922   0.00000  Uiso   1.00
C4001  C     0.55055   0.51790   0.66343   0.00000  Uiso   1.00
C4002  C     0.57967   0.51477   0.64583   0.00000  Uiso   1.00
H4003  H     0.60036   0.60592   0.70175   0.00000  Uiso   1.00
H4004  H     0.60947   0.47538   0.62352   0.00000  Uiso   1.00
H4005  H     0.59348   0.50487   0.59450   0.00000  Uiso   1.00
H4006  H     0.56626   0.47505   0.61307   0.00000  Uiso   1.00
H4007  H     0.55656   0.67683   0.78510   0.00000  Uiso   1.00
H4008  H     0.52643   0.63842   0.82288   0.00000  Uiso   1.00
H4009  H     0.52462   0.57729   0.81048   0.00000  Uiso   1.00
H4010  H     0.55366   0.55497   0.76105   0.00000  Uiso   1.00
H4011  H     0.52936   0.50144   0.65745   0.00000  Uiso   1.00
S4012  S     0.32637   0.80123   0.56531   0.00000  Uiso   1.00
O4013  O     0.35159   0.71177   0.64753   0.00000  Uiso   1.00
O4014  O     0.33187   0.68209   0.68812   0.00000  Uiso   1.00
N4015  N     0.31540   0.75943   0.62085   0.00000  Uiso   1.00
N4016  N     0.32891   0.70261   0.66575   0.00000  Uiso   1.00
N4017  N     0.29120   0.83108   0.68258   0.00000  Uiso   1.00
C4018  C     0.29670   0.82643   0.65449   0.00000  Uiso   1.00
C4019  C     0.32228   0.86905   0.53733   0.00000  Uiso   1.00
C4020  C     0.28967   0.74350   0.63935   0.00000  Uiso   1.00
C4021  C     0.29614   0.71601   0.66093   0.00000  Uiso   1.00
C4022  C     0.26909   0.70198   0.67866   0.00000  Uiso   1.00
C4023  C     0.23649   0.71328   0.67440   0.00000  Uiso   1.00
C4024  C     0.23016   0.73954   0.65264   0.00000  Uiso   1.00
C4025  C     0.25652   0.75483   0.63589   0.00000  Uiso   1.00
C4026  C     0.31513   0.79086   0.60597   0.00000  Uiso   1.00
C4027  C     0.30571   0.82185   0.61968   0.00000  Uiso   1.00
C4028  C     0.30749   0.84964   0.59680   0.00000  Uiso   1.00
C4029  C     0.31852   0.84416   0.56492   0.00000  Uiso   1.00
H4030  H     0.33307   0.74374   0.61261   0.00000  Uiso   1.00
H4031  H     0.30652   0.86301   0.51557   0.00000  Uiso   1.00
H4032  H     0.34828   0.87099   0.52839   0.00000  Uiso   1.00
H4033  H     0.31464   0.89384   0.54641   0.00000  Uiso   1.00
H4034  H     0.27375   0.68126   0.69629   0.00000  Uiso   1.00
H4035  H     0.21598   0.70139   0.68834   0.00000  Uiso   1.00
H4036  H     0.20452   0.74845   0.64860   0.00000  Uiso   1.00
H4037  H     0.25087   0.77599   0.61916   0.00000  Uiso   1.00
H4038  H     0.30073   0.87505   0.60463   0.00000  Uiso   1.00
S4039  S     0.86396   0.71880   0.76075   0.00000  Uiso   1.00
O4040  O     0.93643   0.77531   0.81913   0.00000  Uiso   1.00
O4041  O     0.95497   0.81381   0.85210   0.00000  Uiso   1.00
N4042  N     0.87242   0.76662   0.81000   0.00000  Uiso   1.00
N4043  N     0.93232   0.79856   0.83845   0.00000  Uiso   1.00
N4044  N     0.78252   0.81183   0.78595   0.00000  Uiso   1.00
C4045  C     0.80217   0.79154   0.77912   0.00000  Uiso   1.00
C4046  C     0.82361   0.69015   0.70632   0.00000  Uiso   1.00
C4047  C     0.86990   0.79334   0.83324   0.00000  Uiso   1.00
C4048  C     0.89906   0.80910   0.84650   0.00000  Uiso   1.00
C4049  C     0.89474   0.83657   0.86824   0.00000  Uiso   1.00
C4050  C     0.86327   0.84820   0.87730   0.00000  Uiso   1.00
C4051  C     0.83509   0.83159   0.86593   0.00000  Uiso   1.00
C4052  C     0.83850   0.80428   0.84467   0.00000  Uiso   1.00
C4053  C     0.85283   0.75373   0.78421   0.00000  Uiso   1.00
C4054  C     0.82234   0.76318   0.76937   0.00000  Uiso   1.00
C4055  C     0.81125   0.74194   0.74229   0.00000  Uiso   1.00
C4056  C     0.83063   0.71550   0.73289   0.00000  Uiso   1.00
H4057  H     0.89553   0.75695   0.80972   0.00000  Uiso   1.00
H4058  H     0.82145   0.66469   0.71661   0.00000  Uiso   1.00
H4059  H     0.84295   0.68942   0.68672   0.00000  Uiso   1.00
H4060  H     0.79968   0.69609   0.69415   0.00000  Uiso   1.00
H4061  H     0.91694   0.84955   0.87825   0.00000  Uiso   1.00
H4062  H     0.86071   0.86990   0.89397   0.00000  Uiso   1.00
H4063  H     0.81003   0.83987   0.87362   0.00000  Uiso   1.00
H4064  H     0.81576   0.79037   0.83796   0.00000  Uiso   1.00
H4065  H     0.78769   0.74652   0.72883   0.00000  Uiso   1.00
S4066  S     0.61087   0.37050   0.64433   0.00000  Uiso   1.00
O4067  O     0.58313   0.46415   0.70444   0.00000  Uiso   1.00
O4068  O     0.56566   0.49072   0.74816   0.00000  Uiso   1.00
N4069  N     0.58768   0.39920   0.70344   0.00000  Uiso   1.00
N4070  N     0.57280   0.46513   0.73313   0.00000  Uiso   1.00
N4071  N     0.51483   0.33027   0.71607   0.00000  Uiso   1.00
C4072  C     0.53652   0.33861   0.69868   0.00000  Uiso   1.00
C4073  C     0.60447   0.31790   0.59346   0.00000  Uiso   1.00
C4074  C     0.57524   0.40257   0.73641   0.00000  Uiso   1.00
C4075  C     0.56809   0.43441   0.75080   0.00000  Uiso   1.00
C4076  C     0.55541   0.43527   0.78370   0.00000  Uiso   1.00
C4077  C     0.54912   0.40623   0.80176   0.00000  Uiso   1.00
C4078  C     0.55654   0.37539   0.78779   0.00000  Uiso   1.00
C4079  C     0.57038   0.37373   0.75597   0.00000  Uiso   1.00
C4080  C     0.58566   0.37382   0.67966   0.00000  Uiso   1.00
C4081  C     0.56387   0.34635   0.67619   0.00000  Uiso   1.00
C4082  C     0.56961   0.32593   0.64695   0.00000  Uiso   1.00
C4083  C     0.59473   0.33459   0.62545   0.00000  Uiso   1.00
H4084  H     0.59825   0.42008   0.69469   0.00000  Uiso   1.00
H4085  H     0.63121   0.31128   0.59265   0.00000  Uiso   1.00
H4086  H     0.59933   0.33377   0.57154   0.00000  Uiso   1.00
H4087  H     0.59006   0.29472   0.59045   0.00000  Uiso   1.00
H4088  H     0.54970   0.45954   0.79550   0.00000  Uiso   1.00
H4089  H     0.53858   0.40776   0.82713   0.00000  Uiso   1.00
H4090  H     0.55149   0.35232   0.80180   0.00000  Uiso   1.00
H4091  H     0.57781   0.34903   0.74625   0.00000  Uiso   1.00
H4092  H     0.55389   0.30407   0.64124   0.00000  Uiso   1.00
S4093  S    -0.01916   0.67584   0.33090   0.00000  Uiso   1.00
O4094  O     0.08358   0.66073   0.28389   0.00000  Uiso   1.00
O4095  O     0.13684   0.66899   0.28014   0.00000  Uiso   1.00
N4096  N     0.05012   0.68153   0.33602   0.00000  Uiso   1.00
N4097  N     0.11019   0.67096   0.29479   0.00000  Uiso   1.00
N4098  N     0.05098   0.77467   0.36269   0.00000  Uiso   1.00
C4099  C     0.03115   0.75387   0.35877   0.00000  Uiso   1.00
C4100  C    -0.08511   0.70573   0.33776   0.00000  Uiso   1.00
C4101  C     0.08227   0.69155   0.34696   0.00000  Uiso   1.00
C4102  C     0.11132   0.68635   0.32704   0.00000  Uiso   1.00
C4103  C     0.14230   0.69758   0.33959   0.00000  Uiso   1.00
C4104  C     0.14510   0.71299   0.37063   0.00000  Uiso   1.00
C4105  C     0.11691   0.71724   0.39034   0.00000  Uiso   1.00
C4106  C     0.08599   0.70646   0.37864   0.00000  Uiso   1.00
C4107  C     0.01843   0.69526   0.34053   0.00000  Uiso   1.00
C4108  C     0.00803   0.72718   0.35098   0.00000  Uiso   1.00
C4109  C    -0.02769   0.73253   0.35093   0.00000  Uiso   1.00
C4110  C    -0.04795   0.70708   0.34044   0.00000  Uiso   1.00
H4111  H     0.05063   0.66303   0.31914   0.00000  Uiso   1.00
H4112  H    -0.09594   0.68604   0.35372   0.00000  Uiso   1.00
H4113  H    -0.09370   0.70088   0.31202   0.00000  Uiso   1.00
H4114  H    -0.09583   0.72971   0.34574   0.00000  Uiso   1.00
H4115  H     0.16515   0.69453   0.32438   0.00000  Uiso   1.00
H4116  H     0.16959   0.72207   0.37921   0.00000  Uiso   1.00
H4117  H     0.11881   0.72956   0.41483   0.00000  Uiso   1.00
H4118  H     0.06401   0.70987   0.39491   0.00000  Uiso   1.00
H4119  H    -0.03883   0.75658   0.35827   0.00000  Uiso   1.00
S4120  S     0.50481   0.36439   0.95765   0.00000  Uiso   1.00
O4121  O     0.38986   0.38709   0.91628   0.00000  Uiso   1.00
O4122  O     0.36402   0.43409   0.92246   0.00000  Uiso   1.00
N4123  N     0.43429   0.36686   0.96027   0.00000  Uiso   1.00
N4124  N     0.38401   0.41288   0.93152   0.00000  Uiso   1.00
N4125  N     0.41924   0.27322   0.96894   0.00000  Uiso   1.00
C4126  C     0.44180   0.29085   0.96396   0.00000  Uiso   1.00
C4127  C     0.56522   0.32363   0.95566   0.00000  Uiso   1.00
C4128  C     0.42711   0.39832   0.97470   0.00000  Uiso   1.00
C4129  C     0.40228   0.42016   0.96142   0.00000  Uiso   1.00
C4130  C     0.39581   0.45018   0.97873   0.00000  Uiso   1.00
C4131  C     0.41262   0.45865   1.00797   0.00000  Uiso   1.00
C4132  C     0.43702   0.43752   1.02059   0.00000  Uiso   1.00
C4133  C     0.44426   0.40784   1.00399   0.00000  Uiso   1.00
C4134  C     0.46423   0.34890   0.95971   0.00000  Uiso   1.00
C4135  C     0.46932   0.31421   0.96046   0.00000  Uiso   1.00
C4136  C     0.50386   0.30360   0.95937   0.00000  Uiso   1.00
C4137  C     0.52818   0.32759   0.95768   0.00000  Uiso   1.00
H4138  H     0.41724   0.35965   0.94340   0.00000  Uiso   1.00
H4139  H     0.57833   0.33634   0.97631   0.00000  Uiso   1.00
H4140  H     0.57548   0.33373   0.93214   0.00000  Uiso   1.00
H4141  H     0.57166   0.29697   0.95682   0.00000  Uiso   1.00
H4142  H     0.37649   0.46752   0.96932   0.00000  Uiso   1.00
H4143  H     0.40626   0.48201   1.02101   0.00000  Uiso   1.00
H4144  H     0.45025   0.44411   1.04376   0.00000  Uiso   1.00
H4145  H     0.46341   0.39114   1.01461   0.00000  Uiso   1.00
H4146  H     0.51117   0.27709   0.95972   0.00000  Uiso   1.00
S4147  S     0.43122   0.05248   0.90583   0.00000  Uiso   1.00
O4148  O     0.36461   0.05161   1.00059   0.00000  Uiso   1.00
O4149  O     0.34243   0.07672   1.04293   0.00000  Uiso   1.00
N4150  N     0.41507   0.07770   0.96861   0.00000  Uiso   1.00
N4151  N     0.36327   0.07450   1.02072   0.00000  Uiso   1.00
N4152  N     0.51072   0.09489   0.99417   0.00000  Uiso   1.00
C4153  C     0.49376   0.08469   0.97297   0.00000  Uiso   1.00
C4154  C     0.48231   0.03615   0.85606   0.00000  Uiso   1.00
C4155  C     0.41251   0.10259   0.99370   0.00000  Uiso   1.00
C4156  C     0.38724   0.10106   1.01882   0.00000  Uiso   1.00
C4157  C     0.38608   0.12693   1.04278   0.00000  Uiso   1.00
C4158  C     0.40858   0.15345   1.04245   0.00000  Uiso   1.00
C4159  C     0.43266   0.15520   1.01759   0.00000  Uiso   1.00
C4160  C     0.43430   0.13025   0.99342   0.00000  Uiso   1.00
C4161  C     0.43923   0.06995   0.94481   0.00000  Uiso   1.00
C4162  C     0.47430   0.07257   0.94498   0.00000  Uiso   1.00
C4163  C     0.49065   0.06117   0.91486   0.00000  Uiso   1.00
C4164  C     0.47147   0.04882   0.88944   0.00000  Uiso   1.00
H4165  H     0.39433   0.06371   0.96686   0.00000  Uiso   1.00
H4166  H     0.47193   0.05103   0.83529   0.00000  Uiso   1.00
H4167  H     0.47468   0.01003   0.85190   0.00000  Uiso   1.00
H4168  H     0.50968   0.03731   0.85417   0.00000  Uiso   1.00
H4169  H     0.36680   0.12635   1.06253   0.00000  Uiso   1.00
H4170  H     0.40687   0.17323   1.06149   0.00000  Uiso   1.00
H4171  H     0.45019   0.17636   1.01659   0.00000  Uiso   1.00
H4172  H     0.45259   0.13320   0.97307   0.00000  Uiso   1.00
H4173  H     0.51798   0.06198   0.91194   0.00000  Uiso   1.00
S4174  S     0.35722   0.56042   0.47090   0.00000  Uiso   1.00
O4175  O     0.35855   0.58251   0.59883   0.00000  Uiso   1.00
O4176  O     0.33008   0.61846   0.62755   0.00000  Uiso   1.00
N4177  N     0.36523   0.59212   0.53424   0.00000  Uiso   1.00
N4178  N     0.33852   0.60540   0.60130   0.00000  Uiso   1.00
N4179  N     0.45630   0.56079   0.54884   0.00000  Uiso   1.00
C4180  C     0.43488   0.56033   0.52926   0.00000  Uiso   1.00
C4181  C     0.38683   0.51779   0.41914   0.00000  Uiso   1.00
C4182  C     0.33534   0.61069   0.53892   0.00000  Uiso   1.00
C4183  C     0.32277   0.61754   0.57160   0.00000  Uiso   1.00
C4184  C     0.29343   0.63685   0.57458   0.00000  Uiso   1.00
C4185  C     0.27647   0.64890   0.54674   0.00000  Uiso   1.00
C4186  C     0.28880   0.64233   0.51500   0.00000  Uiso   1.00
C4187  C     0.31792   0.62365   0.51119   0.00000  Uiso   1.00
C4188  C     0.37719   0.57295   0.50755   0.00000  Uiso   1.00
C4189  C     0.40873   0.55760   0.50432   0.00000  Uiso   1.00
C4190  C     0.41357   0.53818   0.47424   0.00000  Uiso   1.00
C4191  C     0.38800   0.53622   0.45165   0.00000  Uiso   1.00
H4192  H     0.37907   0.59139   0.55509   0.00000  Uiso   1.00
H4193  H     0.38189   0.53444   0.39772   0.00000  Uiso   1.00
H4194  H     0.36744   0.49819   0.41882   0.00000  Uiso   1.00
H4195  H     0.41102   0.50561   0.41468   0.00000  Uiso   1.00
H4196  H     0.28309   0.64212   0.59964   0.00000  Uiso   1.00
H4197  H     0.25345   0.66362   0.54994   0.00000  Uiso   1.00
H4198  H     0.27566   0.65203   0.49289   0.00000  Uiso   1.00
H4199  H     0.32769   0.61985   0.48573   0.00000  Uiso   1.00
H4200  H     0.43709   0.52484   0.46923   0.00000  Uiso   1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
C1     C2      1.393   .     S
C1     C3      1.398   .     D
C1     O9      1.370   .     S
C2     C4      1.385   .     D
C2     H10     1.100   .     S
C3     C5      1.406   .     S
C3     O8      1.397   .     S
C4     C6      1.385   .     S
C4     H11     1.099   .     S
C5     C6      1.389   .     D
C5     O7      1.373   .     S
C6     H12     1.099   .     S
O7     H13     0.952   .     S
O8     H14     0.965   .     S
O9     H15     0.952   .     S
C16    C17     1.387   .     S
C16    C18     1.407   .     D
C16    O24     1.371   .     S
C17    C19     1.386   .     D
C17    H25     1.101   .     S
C18    C20     1.405   .     S
C18    O23     1.379   .     S
C19    C21     1.385   .     S
C19    H26     1.099   .     S
C20    C21     1.392   .     D
C20    O22     1.371   .     S
C21    H27     1.101   .     S
O22    H28     0.956   .     S
O23    H29     0.954   .     S
O24    H30     0.951   .     S
C31    C32     1.394   .     S
C31    C33     1.407   .     D
C31    O39     1.372   .     S
C32    C34     1.385   .     D
C32    H40     1.101   .     S
C33    C35     1.402   .     S
C33    O38     1.382   .     S
C34    C36     1.386   .     S
C34    H41     1.100   .     S
C35    C36     1.390   .     D
C35    O37     1.384   .     S
C36    H42     1.101   .     S
O37    H43     0.960   .     S
O38    H44     0.958   .     S
O39    H45     0.952   .     S
C46    C47     1.391   .     S
C46    C48     1.405   .     D
C46    O54     1.374   .     S
C47    C49     1.384   .     D
C47    H55     1.100   .     S
C48    C50     1.405   .     S
C48    O53     1.378   .     S
C49    C51     1.386   .     S
C49    H56     1.100   .     S
C50    C51     1.389   .     D
C50    O52     1.373   .     S
C51    H57     1.100   .     S
O52    H58     0.950   .     S
O53    H59     0.953   .     S
O54    H60     0.957   .     S
C61    C62     1.391   .     S
C61    C63     1.406   .     D
C61    O69     1.377   .     S
C62    C64     1.386   .     D
C62    H70     1.102   .     S
C63    C65     1.408   .     S
C63    O68     1.380   .     S
C64    C66     1.386   .     S
C64    H71     1.101   .     S
C65    C66     1.387   .     D
C65    O67     1.373   .     S
C66    H72     1.101   .     S
O67    H73     0.953   .     S
O68    H74     0.966   .     S
O69    H75     0.954   .     S
C76    C77     1.395   .     S
C76    C78     1.407   .     D
C76    O84     1.368   .     S
C77    C79     1.384   .     D
C77    H85     1.100   .     S
C78    C80     1.402   .     S
C78    O83     1.379   .     S
C79    C81     1.385   .     S
C79    H86     1.100   .     S
C80    C81     1.388   .     D
C80    O82     1.385   .     S
C81    H87     1.100   .     S
O82    H88     0.959   .     S
O83    H89     0.957   .     S
O84    H90     0.952   .     S
C91    C92     1.387   .     S
C91    C93     1.406   .     D
C91    O99     1.371   .     S
C92    C94     1.387   .     D
C92    H100    1.099   .     S
C93    C95     1.404   .     S
C93    O98     1.378   .     S
C94    C96     1.386   .     S
C94    H101    1.100   .     S
C95    C96     1.392   .     D
C95    O97     1.371   .     S
C96    H102    1.099   .     S
O97    H103    0.954   .     S
O98    H104    0.957   .     S
O99    H105    0.950   .     S
C106   C107    1.392   .     S
C106   C108    1.405   .     D
C106   O114    1.370   .     S
C107   C109    1.384   .     D
C107   H115    1.101   .     S
C108   C110    1.404   .     S
C108   O113    1.380   .     S
C109   C111    1.385   .     S
C109   H116    1.100   .     S
C110   C111    1.389   .     D
C110   O112    1.376   .     S
C111   H117    1.099   .     S
O112   H118    0.958   .     S
O113   H119    0.955   .     S
O114   H120    0.954   .     S
C121   C122    1.394   .     S
C121   C123    1.407   .     D
C121   O129    1.373   .     S
C122   C124    1.385   .     D
C122   H130    1.101   .     S
C123   C125    1.399   .     S
C123   O128    1.378   .     S
C124   C126    1.385   .     S
C124   H131    1.101   .     S
C125   C126    1.387   .     D
C125   O127    1.386   .     S
C126   H132    1.100   .     S
O127   H133    0.960   .     S
O128   H134    0.954   .     S
O129   H135    0.956   .     S
C136   C137    1.392   .     S
C136   C138    1.408   .     D
C136   O144    1.372   .     S
C137   C139    1.382   .     D
C137   H145    1.098   .     S
C138   C140    1.409   .     S
C138   O143    1.378   .     S
C139   C141    1.383   .     S
C139   H146    1.100   .     S
C140   C141    1.388   .     D
C140   O142    1.374   .     S
C141   H147    1.100   .     S
O142   H148    0.951   .     S
O143   H149    0.956   .     S
O144   H150    0.956   .     S
C151   C152    1.394   .     S
C151   C153    1.405   .     D
C151   O159    1.370   .     S
C152   C154    1.385   .     D
C152   H160    1.100   .     S
C153   C155    1.399   .     S
C153   O158    1.380   .     S
C154   C156    1.386   .     S
C154   H161    1.100   .     S
C155   C156    1.388   .     D
C155   O157    1.386   .     S
C156   H162    1.101   .     S
O157   H163    0.959   .     S
O158   H164    0.954   .     S
O159   H165    0.954   .     S
C166   C167    1.391   .     S
C166   C168    1.405   .     D
C166   O174    1.371   .     S
C167   C169    1.385   .     D
C167   H175    1.099   .     S
C168   C170    1.399   .     S
C168   O173    1.376   .     S
C169   C171    1.385   .     S
C169   H176    1.098   .     S
C170   C171    1.389   .     D
C170   O172    1.380   .     S
C171   H177    1.099   .     S
O172   H178    0.958   .     S
O173   H179    0.953   .     S
O174   H180    0.954   .     S
C181   C182    1.392   .     S
C181   C183    1.404   .     D
C181   O189    1.372   .     S
C182   C184    1.385   .     D
C182   H190    1.099   .     S
C183   C185    1.407   .     S
C183   O188    1.381   .     S
C184   C186    1.386   .     S
C184   H191    1.100   .     S
C185   C186    1.388   .     D
C185   O187    1.373   .     S
C186   H192    1.100   .     S
O187   H193    0.948   .     S
O188   H194    0.954   .     S
O189   H195    0.952   .     S
C196   C197    1.393   .     S
C196   C198    1.404   .     D
C196   O204    1.370   .     S
C197   C199    1.385   .     D
C197   H205    1.100   .     S
C198   C200    1.408   .     S
C198   O203    1.381   .     S
C199   C201    1.386   .     S
C199   H206    1.100   .     S
C200   C201    1.387   .     D
C200   O202    1.371   .     S
C201   H207    1.101   .     S
O202   H208    0.960   .     S
O203   H209    0.956   .     S
O204   H210    0.952   .     S
C211   C212    1.393   .     S
C211   C213    1.406   .     D
C211   O219    1.373   .     S
C212   C214    1.384   .     D
C212   H220    1.099   .     S
C213   C215    1.401   .     S
C213   O218    1.384   .     S
C214   C216    1.385   .     S
C214   H221    1.099   .     S
C215   C216    1.393   .     D
C215   O217    1.376   .     S
C216   H222    1.100   .     S
O217   H223    0.959   .     S
O218   H224    0.960   .     S
O219   H225    0.953   .     S
C226   C227    1.388   .     S
C226   C228    1.415   .     D
C226   O234    1.369   .     S
C227   C229    1.384   .     D
C227   H235    1.100   .     S
C228   C230    1.401   .     S
C228   O233    1.386   .     S
C229   C231    1.385   .     S
C229   H236    1.100   .     S
C230   C231    1.394   .     D
C230   O232    1.372   .     S
C231   H237    1.102   .     S
O232   H238    0.953   .     S
O233   H239    0.951   .     S
O234   H240    0.948   .     S
C241   C242    1.391   .     S
C241   C243    1.404   .     D
C241   O249    1.371   .     S
C242   C244    1.385   .     D
C242   H250    1.100   .     S
C243   C245    1.405   .     S
C243   O248    1.381   .     S
C244   C246    1.387   .     S
C244   H251    1.100   .     S
C245   C246    1.389   .     D
C245   O247    1.375   .     S
C246   H252    1.100   .     S
O247   H253    0.951   .     S
O248   H254    0.954   .     S
O249   H255    0.952   .     S
C256   C257    1.391   .     S
C256   C258    1.402   .     D
C256   O264    1.370   .     S
C257   C259    1.385   .     D
C257   H265    1.099   .     S
C258   C260    1.404   .     S
C258   O263    1.379   .     S
C259   C261    1.388   .     S
C259   H266    1.099   .     S
C260   C261    1.389   .     D
C260   O262    1.367   .     S
C261   H267    1.101   .     S
O262   H268    0.957   .     S
O263   H269    0.956   .     S
O264   H270    0.953   .     S
C271   C272    1.391   .     S
C271   C273    1.404   .     D
C271   O279    1.371   .     S
C272   C274    1.384   .     D
C272   H280    1.100   .     S
C273   C275    1.406   .     S
C273   O278    1.379   .     S
C274   C276    1.385   .     S
C274   H281    1.100   .     S
C275   C276    1.388   .     D
C275   O277    1.369   .     S
C276   H282    1.099   .     S
O277   H283    0.957   .     S
O278   H284    0.957   .     S
O279   H285    0.951   .     S
C286   C287    1.392   .     S
C286   C288    1.405   .     D
C286   O294    1.372   .     S
C287   C289    1.385   .     D
C287   H295    1.099   .     S
C288   C290    1.407   .     S
C288   O293    1.380   .     S
C289   C291    1.385   .     S
C289   H296    1.099   .     S
C290   C291    1.388   .     D
C290   O292    1.373   .     S
C291   H297    1.100   .     S
O292   H298    0.949   .     S
O293   H299    0.953   .     S
O294   H300    0.954   .     S
C301   C302    1.394   .     S
C301   C303    1.405   .     D
C301   O309    1.371   .     S
C302   C304    1.386   .     D
C302   H310    1.100   .     S
C303   C305    1.399   .     S
C303   O308    1.381   .     S
C304   C306    1.386   .     S
C304   H311    1.099   .     S
C305   C306    1.388   .     D
C305   O307    1.388   .     S
C306   H312    1.100   .     S
O307   H313    0.960   .     S
O308   H314    0.954   .     S
O309   H315    0.954   .     S
C316   C317    1.391   .     S
C316   C318    1.405   .     D
C316   O324    1.370   .     S
C317   C319    1.384   .     D
C317   H325    1.100   .     S
C318   C320    1.407   .     S
C318   O323    1.378   .     S
C319   C321    1.385   .     S
C319   H326    1.099   .     S
C320   C321    1.388   .     D
C320   O322    1.373   .     S
C321   H327    1.099   .     S
O322   H328    0.950   .     S
O323   H329    0.953   .     S
O324   H330    0.953   .     S
C331   C332    1.391   .     S
C331   C333    1.407   .     D
C331   O339    1.374   .     S
C332   C334    1.384   .     D
C332   H340    1.100   .     S
C333   C335    1.407   .     S
C333   O338    1.380   .     S
C334   C336    1.385   .     S
C334   H341    1.100   .     S
C335   C336    1.386   .     D
C335   O337    1.371   .     S
C336   H342    1.100   .     S
O337   H343    0.951   .     S
O338   H344    0.958   .     S
O339   H345    0.954   .     S
C346   C347    1.393   .     S
C346   C348    1.405   .     D
C346   O354    1.372   .     S
C347   C349    1.385   .     D
C347   H355    1.101   .     S
C348   C350    1.401   .     S
C348   O353    1.385   .     S
C349   C351    1.386   .     S
C349   H356    1.100   .     S
C350   C351    1.389   .     D
C350   O352    1.385   .     S
C351   H357    1.100   .     S
O352   H358    0.955   .     S
O353   H359    0.953   .     S
O354   H360    0.954   .     S
C361   C362    1.392   .     S
C361   C363    1.406   .     D
C361   O369    1.371   .     S
C362   C364    1.384   .     D
C362   H370    1.099   .     S
C363   C365    1.401   .     S
C363   O368    1.379   .     S
C364   C366    1.386   .     S
C364   H371    1.099   .     S
C365   C366    1.388   .     D
C365   O367    1.381   .     S
C366   H372    1.101   .     S
O367   H373    0.960   .     S
O368   H374    0.956   .     S
O369   H375    0.954   .     S
C376   C377    1.391   .     S
C376   C378    1.406   .     D
C376   O384    1.372   .     S
C377   C379    1.383   .     D
C377   H385    1.100   .     S
C378   C380    1.407   .     S
C378   O383    1.382   .     S
C379   C381    1.386   .     S
C379   H386    1.097   .     S
C380   C381    1.388   .     D
C380   O382    1.374   .     S
C381   H387    1.100   .     S
O382   H388    0.949   .     S
O383   H389    0.954   .     S
O384   H390    0.953   .     S
C391   C392    1.391   .     S
C391   C393    1.406   .     D
C391   O399    1.373   .     S
C392   C394    1.385   .     D
C392   H400    1.100   .     S
C393   C395    1.407   .     S
C393   O398    1.379   .     S
C394   C396    1.386   .     S
C394   H401    1.100   .     S
C395   C396    1.388   .     D
C395   O397    1.375   .     S
C396   H402    1.100   .     S
O397   H403    0.957   .     S
O398   H404    0.953   .     S
O399   H405    0.952   .     S
C406   C407    1.392   .     S
C406   C408    1.405   .     D
C406   O414    1.372   .     S
C407   C409    1.386   .     D
C407   H415    1.100   .     S
C408   C410    1.408   .     S
C408   O413    1.382   .     S
C409   C411    1.387   .     S
C409   H416    1.100   .     S
C410   C411    1.389   .     D
C410   O412    1.374   .     S
C411   H417    1.099   .     S
O412   H418    0.957   .     S
O413   H419    0.955   .     S
O414   H420    0.952   .     S
C421   C422    1.391   .     S
C421   C423    1.411   .     D
C421   O429    1.374   .     S
C422   C424    1.382   .     D
C422   H430    1.099   .     S
C423   C425    1.402   .     S
C423   O428    1.378   .     S
C424   C426    1.383   .     S
C424   H431    1.098   .     S
C425   C426    1.396   .     D
C425   O427    1.373   .     S
C426   H432    1.101   .     S
O427   H433    0.958   .     S
O428   H434    0.953   .     S
O429   H435    0.957   .     S
C436   C437    1.394   .     S
C436   C438    1.406   .     D
C436   O444    1.371   .     S
C437   C439    1.385   .     D
C437   H445    1.100   .     S
C438   C440    1.406   .     S
C438   O443    1.380   .     S
C439   C441    1.386   .     S
C439   H446    1.100   .     S
C440   C441    1.388   .     D
C440   O442    1.374   .     S
C441   H447    1.101   .     S
O442   H448    0.950   .     S
O443   H449    0.954   .     S
O444   H450    0.953   .     S
C451   C452    1.392   .     S
C451   C453    1.406   .     D
C451   O459    1.372   .     S
C452   C454    1.385   .     D
C452   H460    1.101   .     S
C453   C455    1.409   .     S
C453   O458    1.380   .     S
C454   C456    1.386   .     S
C454   H461    1.100   .     S
C455   C456    1.388   .     D
C455   O457    1.372   .     S
C456   H462    1.101   .     S
O457   H463    0.951   .     S
O458   H464    0.954   .     S
O459   H465    0.954   .     S
C466   C467    1.391   .     S
C466   C468    1.406   .     D
C466   O474    1.374   .     S
C467   C469    1.384   .     D
C467   H475    1.099   .     S
C468   C470    1.408   .     S
C468   O473    1.379   .     S
C469   C471    1.383   .     S
C469   H476    1.097   .     S
C470   C471    1.387   .     D
C470   O472    1.369   .     S
C471   H477    1.100   .     S
O472   H478    0.956   .     S
O473   H479    0.962   .     S
O474   H480    0.956   .     S
C481   C482    1.392   .     S
C481   C483    1.404   .     D
C481   O489    1.371   .     S
C482   C484    1.385   .     D
C482   H490    1.099   .     S
C483   C485    1.407   .     S
C483   O488    1.379   .     S
C484   C486    1.386   .     S
C484   H491    1.099   .     S
C485   C486    1.388   .     D
C485   O487    1.373   .     S
C486   H492    1.099   .     S
O487   H493    0.949   .     S
O488   H494    0.953   .     S
O489   H495    0.952   .     S
C496   C497    1.391   .     S
C496   C498    1.407   .     D
C496   O504    1.376   .     S
C497   C499    1.384   .     D
C497   H505    1.101   .     S
C498   C500    1.407   .     S
C498   O503    1.383   .     S
C499   C501    1.385   .     S
C499   H506    1.099   .     S
C500   C501    1.387   .     D
C500   O502    1.372   .     S
C501   H507    1.100   .     S
O502   H508    0.958   .     S
O503   H509    0.963   .     S
O504   H510    0.958   .     S
C511   C512    1.386   .     S
C511   C513    1.404   .     D
C511   O519    1.375   .     S
C512   C514    1.384   .     D
C512   H520    1.100   .     S
C513   C515    1.405   .     S
C513   O518    1.382   .     S
C514   C516    1.386   .     S
C514   H521    1.099   .     S
C515   C516    1.394   .     D
C515   O517    1.370   .     S
C516   H522    1.100   .     S
O517   H523    0.951   .     S
O518   H524    0.957   .     S
O519   H525    0.960   .     S
C526   C527    1.392   .     S
C526   C528    1.404   .     D
C526   O534    1.371   .     S
C527   C529    1.385   .     D
C527   H535    1.101   .     S
C528   C530    1.406   .     S
C528   O533    1.377   .     S
C529   C531    1.386   .     S
C529   H536    1.100   .     S
C530   C531    1.388   .     D
C530   O532    1.371   .     S
C531   H537    1.101   .     S
O532   H538    0.949   .     S
O533   H539    0.953   .     S
O534   H540    0.954   .     S
C541   C542    1.395   .     S
C541   C543    1.405   .     D
C541   O549    1.369   .     S
C542   C544    1.385   .     D
C542   H550    1.100   .     S
C543   C545    1.407   .     S
C543   O548    1.380   .     S
C544   C546    1.386   .     S
C544   H551    1.100   .     S
C545   C546    1.386   .     D
C545   O547    1.372   .     S
C546   H552    1.100   .     S
O547   H553    0.959   .     S
O548   H554    0.955   .     S
O549   H555    0.957   .     S
C556   C557    1.393   .     S
C556   C558    1.404   .     D
C556   O564    1.372   .     S
C557   C559    1.387   .     D
C557   H565    1.100   .     S
C558   C560    1.401   .     S
C558   O563    1.377   .     S
C559   C561    1.386   .     S
C559   H566    1.099   .     S
C560   C561    1.388   .     D
C560   O562    1.377   .     S
C561   H567    1.101   .     S
O562   H568    0.959   .     S
O563   H569    0.953   .     S
O564   H570    0.956   .     S
C571   C572    1.393   .     S
C571   C573    1.407   .     D
C571   O579    1.372   .     S
C572   C574    1.384   .     D
C572   H580    1.100   .     S
C573   C575    1.408   .     S
C573   O578    1.379   .     S
C574   C576    1.385   .     S
C574   H581    1.100   .     S
C575   C576    1.388   .     D
C575   O577    1.374   .     S
C576   H582    1.100   .     S
O577   H583    0.960   .     S
O578   H584    0.952   .     S
O579   H585    0.953   .     S
C586   C587    1.392   .     S
C586   C588    1.406   .     D
C586   O594    1.372   .     S
C587   C589    1.385   .     D
C587   H595    1.100   .     S
C588   C590    1.407   .     S
C588   O593    1.380   .     S
C589   C591    1.386   .     S
C589   H596    1.100   .     S
C590   C591    1.388   .     D
C590   O592    1.374   .     S
C591   H597    1.100   .     S
O592   H598    0.957   .     S
O593   H599    0.953   .     S
O594   H600    0.953   .     S
C601   C602    1.393   .     S
C601   C603    1.405   .     D
C601   O609    1.370   .     S
C602   C604    1.385   .     D
C602   H610    1.101   .     S
C603   C605    1.405   .     S
C603   O608    1.379   .     S
C604   C606    1.386   .     S
C604   H611    1.100   .     S
C605   C606    1.389   .     D
C605   O607    1.374   .     S
C606   H612    1.101   .     S
O607   H613    0.952   .     S
O608   H614    0.954   .     S
O609   H615    0.952   .     S
C616   C617    1.392   .     S
C616   C618    1.406   .     D
C616   O624    1.371   .     S
C617   C619    1.384   .     D
C617   H625    1.100   .     S
C618   C620    1.405   .     S
C618   O623    1.377   .     S
C619   C621    1.385   .     S
C619   H626    1.101   .     S
C620   C621    1.386   .     D
C620   O622    1.375   .     S
C621   H627    1.099   .     S
O622   H628    0.952   .     S
O623   H629    0.955   .     S
O624   H630    0.952   .     S
C631   C632    1.393   .     S
C631   C633    1.404   .     D
C631   O639    1.370   .     S
C632   C634    1.385   .     D
C632   H640    1.100   .     S
C633   C635    1.402   .     S
C633   O638    1.381   .     S
C634   C636    1.386   .     S
C634   H641    1.099   .     S
C635   C636    1.388   .     D
C635   O637    1.380   .     S
C636   H642    1.100   .     S
O637   H643    0.958   .     S
O638   H644    0.954   .     S
O639   H645    0.953   .     S
C646   C647    1.391   .     S
C646   C648    1.404   .     D
C646   O654    1.371   .     S
C647   C649    1.385   .     D
C647   H655    1.102   .     S
C648   C650    1.408   .     S
C648   O653    1.378   .     S
C649   C651    1.387   .     S
C649   H656    1.101   .     S
C650   C651    1.388   .     D
C650   O652    1.371   .     S
C651   H657    1.100   .     S
O652   H658    0.955   .     S
O653   H659    0.954   .     S
O654   H660    0.952   .     S
C661   C662    1.392   .     S
C661   C663    1.406   .     D
C661   O669    1.372   .     S
C662   C664    1.384   .     D
C662   H670    1.100   .     S
C663   C665    1.407   .     S
C663   O668    1.379   .     S
C664   C666    1.384   .     S
C664   H671    1.099   .     S
C665   C666    1.387   .     D
C665   O667    1.372   .     S
C666   H672    1.099   .     S
O667   H673    0.953   .     S
O668   H674    0.955   .     S
O669   H675    0.954   .     S
C676   C677    1.393   .     S
C676   C678    1.406   .     D
C676   O684    1.370   .     S
C677   C679    1.384   .     D
C677   H685    1.099   .     S
C678   C680    1.404   .     S
C678   O683    1.380   .     S
C679   C681    1.386   .     S
C679   H686    1.098   .     S
C680   C681    1.389   .     D
C680   O682    1.377   .     S
C681   H687    1.099   .     S
O682   H688    0.952   .     S
O683   H689    0.955   .     S
O684   H690    0.952   .     S
C691   C692    1.392   .     S
C691   C693    1.405   .     D
C691   O699    1.371   .     S
C692   C694    1.385   .     D
C692   H700    1.101   .     S
C693   C695    1.402   .     S
C693   O698    1.379   .     S
C694   C696    1.386   .     S
C694   H701    1.098   .     S
C695   C696    1.387   .     D
C695   O697    1.379   .     S
C696   H702    1.100   .     S
O697   H703    0.954   .     S
O698   H704    0.954   .     S
O699   H705    0.953   .     S
C706   C707    1.392   .     S
C706   C708    1.410   .     D
C706   O714    1.373   .     S
C707   C709    1.382   .     D
C707   H715    1.102   .     S
C708   C710    1.401   .     S
C708   O713    1.380   .     S
C709   C711    1.384   .     S
C709   H716    1.098   .     S
C710   C711    1.398   .     D
C710   O712    1.371   .     S
C711   H717    1.102   .     S
O712   H718    0.951   .     S
O713   H719    0.952   .     S
O714   H720    0.952   .     S
C721   C722    1.391   .     S
C721   C723    1.406   .     D
C721   O729    1.373   .     S
C722   C724    1.385   .     D
C722   H730    1.100   .     S
C723   C725    1.407   .     S
C723   O728    1.376   .     S
C724   C726    1.386   .     S
C724   H731    1.100   .     S
C725   C726    1.387   .     D
C725   O727    1.373   .     S
C726   H732    1.100   .     S
O727   H733    0.957   .     S
O728   H734    0.955   .     S
O729   H735    0.953   .     S
C736   C737    1.388   .     S
C736   C738    1.407   .     D
C736   O744    1.372   .     S
C737   C739    1.386   .     D
C737   H745    1.100   .     S
C738   C740    1.406   .     S
C738   O743    1.378   .     S
C739   C741    1.385   .     S
C739   H746    1.100   .     S
C740   C741    1.390   .     D
C740   O742    1.379   .     S
C741   H747    1.100   .     S
O742   H748    0.969   .     S
O743   H749    0.952   .     S
O744   H750    0.950   .     S
C751   C752    1.393   .     S
C751   C753    1.407   .     D
C751   O759    1.372   .     S
C752   C754    1.385   .     D
C752   H760    1.101   .     S
C753   C755    1.398   .     S
C753   O758    1.380   .     S
C754   C756    1.386   .     S
C754   H761    1.100   .     S
C755   C756    1.388   .     D
C755   O757    1.388   .     S
C756   H762    1.100   .     S
O757   H763    0.962   .     S
O758   H764    0.955   .     S
O759   H765    0.957   .     S
C766   C767    1.391   .     S
C766   C768    1.404   .     D
C766   O774    1.373   .     S
C767   C769    1.385   .     D
C767   H775    1.100   .     S
C768   C770    1.401   .     S
C768   O773    1.379   .     S
C769   C771    1.387   .     S
C769   H776    1.100   .     S
C770   C771    1.390   .     D
C770   O772    1.386   .     S
C771   H777    1.101   .     S
O772   H778    0.964   .     S
O773   H779    0.955   .     S
O774   H780    0.959   .     S
C781   C782    1.392   .     S
C781   C783    1.405   .     D
C781   O789    1.370   .     S
C782   C784    1.385   .     D
C782   H790    1.100   .     S
C783   C785    1.408   .     S
C783   O788    1.378   .     S
C784   C786    1.385   .     S
C784   H791    1.100   .     S
C785   C786    1.388   .     D
C785   O787    1.373   .     S
C786   H792    1.100   .     S
O787   H793    0.950   .     S
O788   H794    0.952   .     S
O789   H795    0.956   .     S
C796   C797    1.392   .     S
C796   C798    1.405   .     D
C796   O804    1.370   .     S
C797   C799    1.384   .     D
C797   H805    1.100   .     S
C798   C800    1.407   .     S
C798   O803    1.378   .     S
C799   C801    1.385   .     S
C799   H806    1.100   .     S
C800   C801    1.387   .     D
C800   O802    1.373   .     S
C801   H807    1.096   .     S
O802   H808    0.956   .     S
O803   H809    0.953   .     S
O804   H810    0.952   .     S
C811   C812    1.392   .     S
C811   C813    1.405   .     D
C811   O819    1.372   .     S
C812   C814    1.386   .     D
C812   H820    1.101   .     S
C813   C815    1.401   .     S
C813   O818    1.379   .     S
C814   C816    1.387   .     S
C814   H821    1.100   .     S
C815   C816    1.389   .     D
C815   O817    1.379   .     S
C816   H822    1.100   .     S
O817   H823    0.956   .     S
O818   H824    0.955   .     S
O819   H825    0.954   .     S
C826   C827    1.392   .     S
C826   C828    1.405   .     D
C826   O834    1.372   .     S
C827   C829    1.385   .     D
C827   H835    1.099   .     S
C828   C830    1.407   .     S
C828   O833    1.379   .     S
C829   C831    1.386   .     S
C829   H836    1.101   .     S
C830   C831    1.388   .     D
C830   O832    1.370   .     S
C831   H837    1.101   .     S
O832   H838    0.951   .     S
O833   H839    0.955   .     S
O834   H840    0.956   .     S
C841   C842    1.391   .     S
C841   C843    1.405   .     D
C841   O849    1.372   .     S
C842   C844    1.384   .     D
C842   H850    1.098   .     S
C843   C845    1.407   .     S
C843   O848    1.380   .     S
C844   C846    1.385   .     S
C844   H851    1.100   .     S
C845   C846    1.388   .     D
C845   O847    1.373   .     S
C846   H852    1.099   .     S
O847   H853    0.958   .     S
O848   H854    0.954   .     S
O849   H855    0.954   .     S
C856   C857    1.394   .     S
C856   C858    1.405   .     D
C856   O864    1.365   .     S
C857   C859    1.383   .     D
C857   H865    1.098   .     S
C858   C860    1.407   .     S
C858   O863    1.379   .     S
C859   C861    1.384   .     S
C859   H866    1.100   .     S
C860   C861    1.386   .     D
C860   O862    1.373   .     S
C861   H867    1.100   .     S
O862   H868    0.960   .     S
O863   H869    0.955   .     S
O864   H870    0.952   .     S
C871   C872    1.392   .     S
C871   C873    1.405   .     D
C871   O879    1.370   .     S
C872   C874    1.385   .     D
C872   H880    1.100   .     S
C873   C875    1.403   .     S
C873   O878    1.381   .     S
C874   C876    1.387   .     S
C874   H881    1.100   .     S
C875   C876    1.389   .     D
C875   O877    1.376   .     S
C876   H882    1.099   .     S
O877   H883    0.952   .     S
O878   H884    0.954   .     S
O879   H885    0.953   .     S
C886   C887    1.391   .     S
C886   C888    1.404   .     D
C886   O894    1.371   .     S
C887   C889    1.385   .     D
C887   H895    1.100   .     S
C888   C890    1.407   .     S
C888   O893    1.380   .     S
C889   C891    1.387   .     S
C889   H896    1.100   .     S
C890   C891    1.389   .     D
C890   O892    1.372   .     S
C891   H897    1.099   .     S
O892   H898    0.949   .     S
O893   H899    0.953   .     S
O894   H900    0.953   .     S
C901   C902    1.393   .     S
C901   C903    1.405   .     D
C901   O909    1.369   .     S
C902   C904    1.384   .     D
C902   H910    1.101   .     S
C903   C905    1.407   .     S
C903   O908    1.379   .     S
C904   C906    1.386   .     S
C904   H911    1.100   .     S
C905   C906    1.387   .     D
C905   O907    1.372   .     S
C906   H912    1.099   .     S
O907   H913    0.950   .     S
O908   H914    0.954   .     S
O909   H915    0.954   .     S
C916   C917    1.393   .     S
C916   C918    1.405   .     D
C916   O924    1.371   .     S
C917   C919    1.385   .     D
C917   H925    1.101   .     S
C918   C920    1.406   .     S
C918   O923    1.380   .     S
C919   C921    1.386   .     S
C919   H926    1.100   .     S
C920   C921    1.388   .     D
C920   O922    1.374   .     S
C921   H927    1.100   .     S
O922   H928    0.949   .     S
O923   H929    0.954   .     S
O924   H930    0.953   .     S
C931   C932    1.395   .     S
C931   C933    1.402   .     D
C931   O939    1.371   .     S
C932   C934    1.383   .     D
C932   H940    1.099   .     S
C933   C935    1.409   .     S
C933   O938    1.376   .     S
C934   C936    1.380   .     S
C934   H941    1.096   .     S
C935   C936    1.390   .     D
C935   O937    1.372   .     S
C936   H942    1.098   .     S
O937   H943    0.954   .     S
O938   H944    0.953   .     S
O939   H945    0.953   .     S
C946   C947    1.393   .     S
C946   C948    1.403   .     D
C946   O954    1.372   .     S
C947   C949    1.385   .     D
C947   H955    1.097   .     S
C948   C950    1.400   .     S
C948   O953    1.385   .     S
C949   C951    1.385   .     S
C949   H956    1.101   .     S
C950   C951    1.390   .     D
C950   O952    1.378   .     S
C951   H957    1.099   .     S
O952   H958    0.959   .     S
O953   H959    0.952   .     S
O954   H960    0.952   .     S
C961   C962    1.391   .     S
C961   C963    1.402   .     D
C961   O969    1.370   .     S
C962   C964    1.387   .     D
C962   H970    1.100   .     S
C963   C965    1.407   .     S
C963   O968    1.379   .     S
C964   C966    1.387   .     S
C964   H971    1.102   .     S
C965   C966    1.387   .     D
C965   O967    1.369   .     S
C966   H972    1.101   .     S
O967   H973    0.955   .     S
O968   H974    0.956   .     S
O969   H975    0.953   .     S
C976   C977    1.392   .     S
C976   C978    1.403   .     D
C976   O984    1.370   .     S
C977   C979    1.386   .     D
C977   H985    1.100   .     S
C978   C980    1.399   .     S
C978   O983    1.380   .     S
C979   C981    1.385   .     S
C979   H986    1.098   .     S
C980   C981    1.389   .     D
C980   O982    1.380   .     S
C981   H987    1.099   .     S
O982   H988    0.959   .     S
O983   H989    0.954   .     S
O984   H990    0.954   .     S
C991   C992    1.392   .     S
C991   C993    1.404   .     D
C991   O999    1.369   .     S
C992   C994    1.385   .     D
C992   H1000   1.099   .     S
C993   C995    1.408   .     S
C993   O998    1.380   .     S
C994   C996    1.386   .     S
C994   H1001   1.098   .     S
C995   C996    1.388   .     D
C995   O997    1.371   .     S
C996   H1002   1.101   .     S
O997   H1003   0.953   .     S
O998   H1004   0.953   .     S
O999   H1005   0.953   .     S
C1006  C1007   1.392   .     S
C1006  C1008   1.405   .     D
C1006  O1014   1.370   .     S
C1007  C1009   1.384   .     D
C1007  H1015   1.101   .     S
C1008  C1010   1.407   .     S
C1008  O1013   1.379   .     S
C1009  C1011   1.386   .     S
C1009  H1016   1.099   .     S
C1010  C1011   1.389   .     D
C1010  O1012   1.375   .     S
C1011  H1017   1.100   .     S
O1012  H1018   0.950   .     S
O1013  H1019   0.952   .     S
O1014  H1020   0.954   .     S
C1021  C1022   1.392   .     S
C1021  C1023   1.405   .     D
C1021  O1029   1.370   .     S
C1022  C1024   1.385   .     D
C1022  H1030   1.100   .     S
C1023  C1025   1.405   .     S
C1023  O1028   1.378   .     S
C1024  C1026   1.387   .     S
C1024  H1031   1.099   .     S
C1025  C1026   1.387   .     D
C1025  O1027   1.374   .     S
C1026  H1032   1.098   .     S
O1027  H1033   0.952   .     S
O1028  H1034   0.953   .     S
O1029  H1035   0.954   .     S
C1036  C1037   1.392   .     S
C1036  C1038   1.405   .     D
C1036  O1044   1.370   .     S
C1037  C1039   1.385   .     D
C1037  H1045   1.101   .     S
C1038  C1040   1.406   .     S
C1038  O1043   1.380   .     S
C1039  C1041   1.387   .     S
C1039  H1046   1.100   .     S
C1040  C1041   1.388   .     D
C1040  O1042   1.373   .     S
C1041  H1047   1.100   .     S
O1042  H1048   0.951   .     S
O1043  H1049   0.954   .     S
O1044  H1050   0.953   .     S
C1051  C1052   1.392   .     S
C1051  C1053   1.406   .     D
C1051  O1059   1.371   .     S
C1052  C1054   1.384   .     D
C1052  H1060   1.100   .     S
C1053  C1055   1.406   .     S
C1053  O1058   1.379   .     S
C1054  C1056   1.386   .     S
C1054  H1061   1.101   .     S
C1055  C1056   1.388   .     D
C1055  O1057   1.373   .     S
C1056  H1062   1.101   .     S
O1057  H1063   0.951   .     S
O1058  H1064   0.954   .     S
O1059  H1065   0.954   .     S
C1066  C1067   1.392   .     S
C1066  C1068   1.405   .     D
C1066  O1074   1.374   .     S
C1067  C1069   1.386   .     D
C1067  H1075   1.100   .     S
C1068  C1070   1.406   .     S
C1068  O1073   1.380   .     S
C1069  C1071   1.386   .     S
C1069  H1076   1.101   .     S
C1070  C1071   1.388   .     D
C1070  O1072   1.373   .     S
C1071  H1077   1.101   .     S
O1072  H1078   0.948   .     S
O1073  H1079   0.955   .     S
O1074  H1080   0.958   .     S
C1081  C1082   1.394   .     S
C1081  C1083   1.401   .     D
C1081  O1089   1.368   .     S
C1082  C1084   1.385   .     D
C1082  H1090   1.101   .     S
C1083  C1085   1.401   .     S
C1083  O1088   1.385   .     S
C1084  C1086   1.385   .     S
C1084  H1091   1.098   .     S
C1085  C1086   1.388   .     D
C1085  O1087   1.383   .     S
C1086  H1092   1.101   .     S
O1087  H1093   0.961   .     S
O1088  H1094   0.953   .     S
O1089  H1095   0.960   .     S
C1096  C1097   1.390   .     S
C1096  C1098   1.408   .     D
C1096  O1104   1.372   .     S
C1097  C1099   1.383   .     D
C1097  H1105   1.099   .     S
C1098  C1100   1.401   .     S
C1098  O1103   1.377   .     S
C1099  C1101   1.385   .     S
C1099  H1106   1.099   .     S
C1100  C1101   1.399   .     D
C1100  O1102   1.369   .     S
C1101  H1107   1.102   .     S
O1102  H1108   0.953   .     S
O1103  H1109   0.955   .     S
O1104  H1110   0.955   .     S
C1111  C1112   1.392   .     S
C1111  C1113   1.403   .     D
C1111  O1119   1.372   .     S
C1112  C1114   1.384   .     D
C1112  H1120   1.098   .     S
C1113  C1115   1.407   .     S
C1113  O1118   1.384   .     S
C1114  C1116   1.385   .     S
C1114  H1121   1.100   .     S
C1115  C1116   1.387   .     D
C1115  O1117   1.372   .     S
C1116  H1122   1.099   .     S
O1117  H1123   0.949   .     S
O1118  H1124   0.965   .     S
O1119  H1125   0.951   .     S
C1126  C1127   1.393   .     S
C1126  C1128   1.405   .     D
C1126  O1134   1.369   .     S
C1127  C1129   1.383   .     D
C1127  H1135   1.100   .     S
C1128  C1130   1.406   .     S
C1128  O1133   1.381   .     S
C1129  C1131   1.384   .     S
C1129  H1136   1.100   .     S
C1130  C1131   1.390   .     D
C1130  O1132   1.379   .     S
C1131  H1137   1.100   .     S
O1132  H1138   0.959   .     S
O1133  H1139   0.953   .     S
O1134  H1140   0.958   .     S
C1141  C1142   1.391   .     S
C1141  C1143   1.403   .     D
C1141  O1149   1.371   .     S
C1142  C1144   1.386   .     D
C1142  H1150   1.100   .     S
C1143  C1145   1.405   .     S
C1143  O1148   1.380   .     S
C1144  C1146   1.388   .     S
C1144  H1151   1.100   .     S
C1145  C1146   1.388   .     D
C1145  O1147   1.371   .     S
C1146  H1152   1.101   .     S
O1147  H1153   0.960   .     S
O1148  H1154   0.957   .     S
O1149  H1155   0.953   .     S
C1156  C1157   1.392   .     S
C1156  C1158   1.406   .     D
C1156  O1164   1.373   .     S
C1157  C1159   1.386   .     D
C1157  H1165   1.100   .     S
C1158  C1160   1.407   .     S
C1158  O1163   1.380   .     S
C1159  C1161   1.387   .     S
C1159  H1166   1.100   .     S
C1160  C1161   1.388   .     D
C1160  O1162   1.371   .     S
C1161  H1167   1.102   .     S
O1162  H1168   0.953   .     S
O1163  H1169   0.956   .     S
O1164  H1170   0.956   .     S
C1171  C1172   1.390   .     S
C1171  C1173   1.404   .     D
C1171  O1179   1.372   .     S
C1172  C1174   1.384   .     D
C1172  H1180   1.099   .     S
C1173  C1175   1.407   .     S
C1173  O1178   1.376   .     S
C1174  C1176   1.385   .     S
C1174  H1181   1.098   .     S
C1175  C1176   1.387   .     D
C1175  O1177   1.373   .     S
C1176  H1182   1.101   .     S
O1177  H1183   0.951   .     S
O1178  H1184   0.953   .     S
O1179  H1185   0.953   .     S
C1186  C1187   1.393   .     S
C1186  C1188   1.406   .     D
C1186  O1194   1.368   .     S
C1187  C1189   1.384   .     D
C1187  H1195   1.101   .     S
C1188  C1190   1.407   .     S
C1188  O1193   1.381   .     S
C1189  C1191   1.384   .     S
C1189  H1196   1.099   .     S
C1190  C1191   1.388   .     D
C1190  O1192   1.375   .     S
C1191  H1197   1.101   .     S
O1192  H1198   0.960   .     S
O1193  H1199   0.956   .     S
O1194  H1200   0.949   .     S
C1201  C1202   1.393   .     S
C1201  C1203   1.405   .     D
C1201  O1209   1.369   .     S
C1202  C1204   1.384   .     D
C1202  H1210   1.099   .     S
C1203  C1205   1.408   .     S
C1203  O1208   1.381   .     S
C1204  C1206   1.385   .     S
C1204  H1211   1.100   .     S
C1205  C1206   1.387   .     D
C1205  O1207   1.372   .     S
C1206  H1212   1.099   .     S
O1207  H1213   0.959   .     S
O1208  H1214   0.955   .     S
O1209  H1215   0.951   .     S
C1216  C1217   1.393   .     S
C1216  C1218   1.405   .     D
C1216  O1224   1.371   .     S
C1217  C1219   1.385   .     D
C1217  H1225   1.100   .     S
C1218  C1220   1.405   .     S
C1218  O1223   1.380   .     S
C1219  C1221   1.387   .     S
C1219  H1226   1.100   .     S
C1220  C1221   1.386   .     D
C1220  O1222   1.374   .     S
C1221  H1227   1.099   .     S
O1222  H1228   0.959   .     S
O1223  H1229   0.956   .     S
O1224  H1230   0.952   .     S
C1231  C1232   1.393   .     S
C1231  C1233   1.405   .     D
C1231  O1239   1.370   .     S
C1232  C1234   1.385   .     D
C1232  H1240   1.101   .     S
C1233  C1235   1.405   .     S
C1233  O1238   1.380   .     S
C1234  C1236   1.386   .     S
C1234  H1241   1.099   .     S
C1235  C1236   1.388   .     D
C1235  O1237   1.372   .     S
C1236  H1242   1.099   .     S
O1237  H1243   0.949   .     S
O1238  H1244   0.954   .     S
O1239  H1245   0.952   .     S
C1246  C1247   1.391   .     S
C1246  C1248   1.404   .     D
C1246  O1254   1.372   .     S
C1247  C1249   1.385   .     D
C1247  H1255   1.098   .     S
C1248  C1250   1.407   .     S
C1248  O1253   1.380   .     S
C1249  C1251   1.385   .     S
C1249  H1256   1.100   .     S
C1250  C1251   1.387   .     D
C1250  O1252   1.368   .     S
C1251  H1257   1.100   .     S
O1252  H1258   0.954   .     S
O1253  H1259   0.955   .     S
O1254  H1260   0.955   .     S
C1261  C1262   1.391   .     S
C1261  C1263   1.404   .     D
C1261  O1269   1.376   .     S
C1262  C1264   1.388   .     D
C1262  H1270   1.100   .     S
C1263  C1265   1.406   .     S
C1263  O1268   1.378   .     S
C1264  C1266   1.388   .     S
C1264  H1271   1.100   .     S
C1265  C1266   1.388   .     D
C1265  O1267   1.372   .     S
C1266  H1272   1.101   .     S
O1267  H1273   0.958   .     S
O1268  H1274   0.953   .     S
O1269  H1275   0.958   .     S
C1276  C1277   1.393   .     S
C1276  C1278   1.399   .     D
C1276  O1284   1.371   .     S
C1277  C1279   1.385   .     D
C1277  H1285   1.099   .     S
C1278  C1280   1.400   .     S
C1278  O1283   1.396   .     S
C1279  C1281   1.385   .     S
C1279  H1286   1.100   .     S
C1280  C1281   1.394   .     D
C1280  O1282   1.370   .     S
C1281  H1287   1.100   .     S
O1282  H1288   0.951   .     S
O1283  H1289   0.962   .     S
O1284  H1290   0.949   .     S
C1291  C1292   1.393   .     S
C1291  C1293   1.406   .     D
C1291  O1299   1.370   .     S
C1292  C1294   1.385   .     D
C1292  H1300   1.101   .     S
C1293  C1295   1.407   .     S
C1293  O1298   1.379   .     S
C1294  C1296   1.385   .     S
C1294  H1301   1.100   .     S
C1295  C1296   1.388   .     D
C1295  O1297   1.373   .     S
C1296  H1302   1.100   .     S
O1297  H1303   0.950   .     S
O1298  H1304   0.953   .     S
O1299  H1305   0.955   .     S
C1306  C1307   1.393   .     S
C1306  C1308   1.399   .     D
C1306  O1314   1.372   .     S
C1307  C1309   1.385   .     D
C1307  H1315   1.101   .     S
C1308  C1310   1.400   .     S
C1308  O1313   1.392   .     S
C1309  C1311   1.386   .     S
C1309  H1316   1.101   .     S
C1310  C1311   1.396   .     D
C1310  O1312   1.371   .     S
C1311  H1317   1.100   .     S
O1312  H1318   0.950   .     S
O1313  H1319   0.964   .     S
O1314  H1320   0.949   .     S
C1321  C1322   1.391   .     S
C1321  C1323   1.405   .     D
C1321  O1329   1.371   .     S
C1322  C1324   1.384   .     D
C1322  H1330   1.101   .     S
C1323  C1325   1.408   .     S
C1323  O1328   1.380   .     S
C1324  C1326   1.386   .     S
C1324  H1331   1.100   .     S
C1325  C1326   1.388   .     D
C1325  O1327   1.372   .     S
C1326  H1332   1.100   .     S
O1327  H1333   0.950   .     S
O1328  H1334   0.953   .     S
O1329  H1335   0.956   .     S
C1336  C1337   1.393   .     S
C1336  C1338   1.404   .     D
C1336  O1344   1.369   .     S
C1337  C1339   1.384   .     D
C1337  H1345   1.099   .     S
C1338  C1340   1.400   .     S
C1338  O1343   1.380   .     S
C1339  C1341   1.384   .     S
C1339  H1346   1.098   .     S
C1340  C1341   1.388   .     D
C1340  O1342   1.385   .     S
C1341  H1347   1.099   .     S
O1342  H1348   0.958   .     S
O1343  H1349   0.955   .     S
O1344  H1350   0.954   .     S
C1351  C1352   1.393   .     S
C1351  C1353   1.405   .     D
C1351  O1359   1.370   .     S
C1352  C1354   1.385   .     D
C1352  H1360   1.101   .     S
C1353  C1355   1.407   .     S
C1353  O1358   1.380   .     S
C1354  C1356   1.386   .     S
C1354  H1361   1.100   .     S
C1355  C1356   1.388   .     D
C1355  O1357   1.372   .     S
C1356  H1362   1.101   .     S
O1357  H1363   0.952   .     S
O1358  H1364   0.953   .     S
O1359  H1365   0.951   .     S
C1366  C1367   1.392   .     S
C1366  C1368   1.407   .     D
C1366  O1374   1.372   .     S
C1367  C1369   1.384   .     D
C1367  H1375   1.100   .     S
C1368  C1370   1.410   .     S
C1368  O1373   1.380   .     S
C1369  C1371   1.386   .     S
C1369  H1376   1.100   .     S
C1370  C1371   1.388   .     D
C1370  O1372   1.372   .     S
C1371  H1377   1.100   .     S
O1372  H1378   0.958   .     S
O1373  H1379   0.959   .     S
O1374  H1380   0.952   .     S
C1381  C1382   1.393   .     S
C1381  C1383   1.405   .     D
C1381  O1389   1.370   .     S
C1382  C1384   1.385   .     D
C1382  H1390   1.100   .     S
C1383  C1385   1.408   .     S
C1383  O1388   1.380   .     S
C1384  C1386   1.386   .     S
C1384  H1391   1.101   .     S
C1385  C1386   1.389   .     D
C1385  O1387   1.373   .     S
C1386  H1392   1.100   .     S
O1387  H1393   0.950   .     S
O1388  H1394   0.953   .     S
O1389  H1395   0.952   .     S
C1396  C1397   1.393   .     S
C1396  C1398   1.406   .     D
C1396  O1404   1.372   .     S
C1397  C1399   1.384   .     D
C1397  H1405   1.100   .     S
C1398  C1400   1.407   .     S
C1398  O1403   1.378   .     S
C1399  C1401   1.386   .     S
C1399  H1406   1.100   .     S
C1400  C1401   1.389   .     D
C1400  O1402   1.371   .     S
C1401  H1407   1.101   .     S
O1402  H1408   0.948   .     S
O1403  H1409   0.962   .     S
O1404  H1410   0.958   .     S
C1411  C1412   1.392   .     S
C1411  C1413   1.405   .     D
C1411  O1419   1.370   .     S
C1412  C1414   1.385   .     D
C1412  H1420   1.100   .     S
C1413  C1415   1.407   .     S
C1413  O1418   1.381   .     S
C1414  C1416   1.387   .     S
C1414  H1421   1.099   .     S
C1415  C1416   1.387   .     D
C1415  O1417   1.372   .     S
C1416  H1422   1.101   .     S
O1417  H1423   0.953   .     S
O1418  H1424   0.955   .     S
O1419  H1425   0.952   .     S
C1426  C1427   1.392   .     S
C1426  C1428   1.402   .     D
C1426  O1434   1.370   .     S
C1427  C1429   1.386   .     D
C1427  H1435   1.099   .     S
C1428  C1430   1.406   .     S
C1428  O1433   1.380   .     S
C1429  C1431   1.386   .     S
C1429  H1436   1.100   .     S
C1430  C1431   1.388   .     D
C1430  O1432   1.370   .     S
C1431  H1437   1.100   .     S
O1432  H1438   0.959   .     S
O1433  H1439   0.956   .     S
O1434  H1440   0.954   .     S
C1441  C1442   1.393   .     S
C1441  C1443   1.408   .     D
C1441  O1449   1.372   .     S
C1442  C1444   1.384   .     D
C1442  H1450   1.100   .     S
C1443  C1445   1.403   .     S
C1443  O1448   1.378   .     S
C1444  C1446   1.385   .     S
C1444  H1451   1.100   .     S
C1445  C1446   1.388   .     D
C1445  O1447   1.385   .     S
C1446  H1452   1.100   .     S
O1447  H1453   0.962   .     S
O1448  H1454   0.952   .     S
O1449  H1455   0.958   .     S
C1456  C1457   1.393   .     S
C1456  C1458   1.401   .     D
C1456  O1464   1.368   .     S
C1457  C1459   1.386   .     D
C1457  H1465   1.100   .     S
C1458  C1460   1.402   .     S
C1458  O1463   1.381   .     S
C1459  C1461   1.385   .     S
C1459  H1466   1.098   .     S
C1460  C1461   1.387   .     D
C1460  O1462   1.371   .     S
C1461  H1467   1.098   .     S
O1462  H1468   0.959   .     S
O1463  H1469   0.954   .     S
O1464  H1470   0.956   .     S
C1471  C1472   1.391   .     S
C1471  C1473   1.404   .     D
C1471  O1479   1.374   .     S
C1472  C1474   1.386   .     D
C1472  H1480   1.101   .     S
C1473  C1475   1.406   .     S
C1473  O1478   1.381   .     S
C1474  C1476   1.387   .     S
C1474  H1481   1.100   .     S
C1475  C1476   1.388   .     D
C1475  O1477   1.372   .     S
C1476  H1482   1.100   .     S
O1477  H1483   0.952   .     S
O1478  H1484   0.954   .     S
O1479  H1485   0.956   .     S
C1486  C1487   1.393   .     S
C1486  C1488   1.405   .     D
C1486  O1494   1.371   .     S
C1487  C1489   1.385   .     D
C1487  H1495   1.100   .     S
C1488  C1490   1.407   .     S
C1488  O1493   1.379   .     S
C1489  C1491   1.386   .     S
C1489  H1496   1.100   .     S
C1490  C1491   1.387   .     D
C1490  O1492   1.373   .     S
C1491  H1497   1.101   .     S
O1492  H1498   0.956   .     S
O1493  H1499   0.952   .     S
O1494  H1500   0.954   .     S
S1501  C1515   1.733   .     A
S1501  C1518   1.741   .     A
O1502  N1505   1.220   .     D
O1503  N1505   1.220   .     D
N1504  C1509   1.422   .     S
N1504  C1515   1.392   .     S
N1504  H1519   1.001   .     S
N1505  C1510   1.431   .     S
N1506  C1507   1.161   .     T
C1507  C1516   1.447   .     S
C1508  C1518   1.488   .     S
C1508  H1520   1.102   .     S
C1508  H1521   1.102   .     S
C1508  H1522   1.097   .     S
C1509  C1510   1.423   .     A
C1509  C1514   1.406   .     A
C1510  C1511   1.411   .     A
C1511  C1512   1.391   .     A
C1511  H1523   1.104   .     S
C1512  C1513   1.386   .     A
C1512  H1524   1.098   .     S
C1513  C1514   1.391   .     A
C1513  H1525   1.099   .     S
C1514  H1526   1.103   .     S
C1515  C1516   1.403   .     A
C1516  C1517   1.446   .     A
C1517  H1527   1.100   .     S
C1517  C1518   1.368   .     A
S1528  C1542   1.737   .     A
S1528  C1545   1.743   .     A
O1529  N1532   1.221   .     D
O1530  N1532   1.221   .     D
N1531  C1536   1.421   .     S
N1531  C1542   1.391   .     S
N1531  H1546   1.004   .     S
N1532  C1537   1.433   .     S
N1533  C1534   1.162   .     T
C1534  C1543   1.451   .     S
C1535  C1545   1.494   .     S
C1535  H1547   1.102   .     S
C1535  H1548   1.101   .     S
C1535  H1549   1.099   .     S
C1536  C1537   1.426   .     A
C1536  C1541   1.407   .     A
C1537  C1538   1.411   .     A
C1538  C1539   1.391   .     A
C1538  H1550   1.104   .     S
C1539  C1540   1.385   .     A
C1539  H1551   1.099   .     S
C1540  C1541   1.391   .     A
C1540  H1552   1.098   .     S
C1541  H1553   1.102   .     S
C1542  C1543   1.408   .     A
C1543  C1544   1.445   .     A
C1544  H1554   1.098   .     S
C1544  C1545   1.367   .     A
S1555  C1569   1.736   .     A
S1555  C1572   1.743   .     A
O1556  N1559   1.220   .     D
O1557  N1559   1.220   .     D
N1558  C1563   1.417   .     S
N1558  C1569   1.388   .     S
N1558  H1573   1.009   .     S
N1559  C1564   1.433   .     S
N1560  C1561   1.163   .     T
C1561  C1570   1.450   .     S
C1562  C1572   1.492   .     S
C1562  H1574   1.101   .     S
C1562  H1575   1.102   .     S
C1562  H1576   1.098   .     S
C1563  C1564   1.421   .     A
C1563  C1568   1.407   .     A
C1564  C1565   1.411   .     A
C1565  C1566   1.392   .     A
C1565  H1577   1.103   .     S
C1566  C1567   1.387   .     A
C1566  H1578   1.101   .     S
C1567  C1568   1.392   .     A
C1567  H1579   1.100   .     S
C1568  H1580   1.102   .     S
C1569  C1570   1.407   .     A
C1570  C1571   1.444   .     A
C1571  H1581   1.099   .     S
C1571  C1572   1.367   .     A
S1582  C1596   1.734   .     A
S1582  C1599   1.740   .     A
O1583  N1586   1.221   .     D
O1584  N1586   1.221   .     D
N1585  C1590   1.413   .     S
N1585  C1596   1.391   .     S
N1585  H1600   1.004   .     S
N1586  C1591   1.431   .     S
N1587  C1588   1.161   .     T
C1588  C1597   1.449   .     S
C1589  C1599   1.491   .     S
C1589  H1601   1.103   .     S
C1589  H1602   1.103   .     S
C1589  H1603   1.098   .     S
C1590  C1591   1.427   .     A
C1590  C1595   1.409   .     A
C1591  C1592   1.410   .     A
C1592  C1593   1.391   .     A
C1592  H1604   1.104   .     S
C1593  C1594   1.386   .     A
C1593  H1605   1.100   .     S
C1594  C1595   1.390   .     A
C1594  H1606   1.099   .     S
C1595  H1607   1.102   .     S
C1596  C1597   1.407   .     A
C1597  C1598   1.445   .     A
C1598  H1608   1.100   .     S
C1598  C1599   1.366   .     A
S1609  C1623   1.739   .     A
S1609  C1626   1.744   .     A
O1610  N1613   1.220   .     D
O1611  N1613   1.221   .     D
N1612  C1617   1.419   .     S
N1612  C1623   1.391   .     S
N1612  H1627   1.008   .     S
N1613  C1618   1.431   .     S
N1614  C1615   1.161   .     T
C1615  C1624   1.450   .     S
C1616  C1626   1.492   .     S
C1616  H1628   1.102   .     S
C1616  H1629   1.101   .     S
C1616  H1630   1.099   .     S
C1617  C1618   1.424   .     A
C1617  C1622   1.409   .     A
C1618  C1619   1.410   .     A
C1619  C1620   1.390   .     A
C1619  H1631   1.102   .     S
C1620  C1621   1.386   .     A
C1620  H1632   1.101   .     S
C1621  C1622   1.391   .     A
C1621  H1633   1.099   .     S
C1622  H1634   1.101   .     S
C1623  C1624   1.409   .     A
C1624  C1625   1.444   .     A
C1625  H1635   1.100   .     S
C1625  C1626   1.367   .     A
S1636  C1650   1.734   .     A
S1636  C1653   1.743   .     A
O1637  N1640   1.220   .     D
O1638  N1640   1.222   .     D
N1639  C1644   1.425   .     S
N1639  C1650   1.394   .     S
N1639  H1654   1.006   .     S
N1640  C1645   1.430   .     S
N1641  C1642   1.160   .     T
C1642  C1651   1.448   .     S
C1643  C1653   1.492   .     S
C1643  H1655   1.102   .     S
C1643  H1656   1.102   .     S
C1643  H1657   1.097   .     S
C1644  C1645   1.422   .     A
C1644  C1649   1.408   .     A
C1645  C1646   1.411   .     A
C1646  C1647   1.390   .     A
C1646  H1658   1.103   .     S
C1647  C1648   1.386   .     A
C1647  H1659   1.099   .     S
C1648  C1649   1.391   .     A
C1648  H1660   1.099   .     S
C1649  H1661   1.102   .     S
C1650  C1651   1.404   .     A
C1651  C1652   1.446   .     A
C1652  H1662   1.100   .     S
C1652  C1653   1.368   .     A
S1663  C1677   1.737   .     A
S1663  C1680   1.744   .     A
O1664  N1667   1.218   .     D
O1665  N1667   1.220   .     D
N1666  C1671   1.420   .     S
N1666  C1677   1.390   .     S
N1666  H1681   1.002   .     S
N1667  C1672   1.429   .     S
N1668  C1669   1.161   .     T
C1669  C1678   1.449   .     S
C1670  C1680   1.493   .     S
C1670  H1682   1.103   .     S
C1670  H1683   1.102   .     S
C1670  H1684   1.098   .     S
C1671  C1672   1.424   .     A
C1671  C1676   1.407   .     A
C1672  C1673   1.410   .     A
C1673  C1674   1.390   .     A
C1673  H1685   1.103   .     S
C1674  C1675   1.387   .     A
C1674  H1686   1.101   .     S
C1675  C1676   1.392   .     A
C1675  H1687   1.100   .     S
C1676  H1688   1.103   .     S
C1677  C1678   1.407   .     A
C1678  C1679   1.445   .     A
C1679  H1689   1.100   .     S
C1679  C1680   1.367   .     A
S1690  C1704   1.739   .     A
S1690  C1707   1.744   .     A
O1691  N1694   1.221   .     D
O1692  N1694   1.221   .     D
N1693  C1698   1.417   .     S
N1693  C1704   1.393   .     S
N1693  H1708   1.003   .     S
N1694  C1699   1.433   .     S
N1695  C1696   1.161   .     T
C1696  C1705   1.451   .     S
C1697  C1707   1.492   .     S
C1697  H1709   1.103   .     S
C1697  H1710   1.103   .     S
C1697  H1711   1.098   .     S
C1698  C1699   1.427   .     A
C1698  C1703   1.411   .     A
C1699  C1700   1.410   .     A
C1700  C1701   1.391   .     A
C1700  H1712   1.106   .     S
C1701  C1702   1.386   .     A
C1701  H1713   1.100   .     S
C1702  C1703   1.391   .     A
C1702  H1714   1.100   .     S
C1703  H1715   1.102   .     S
C1704  C1705   1.408   .     A
C1705  C1706   1.447   .     A
C1706  H1716   1.101   .     S
C1706  C1707   1.368   .     A
S1717  C1731   1.738   .     A
S1717  C1734   1.742   .     A
O1718  N1721   1.221   .     D
O1719  N1721   1.221   .     D
N1720  C1725   1.417   .     S
N1720  C1731   1.390   .     S
N1720  H1735   1.000   .     S
N1721  C1726   1.433   .     S
N1722  C1723   1.161   .     T
C1723  C1732   1.449   .     S
C1724  C1734   1.494   .     S
C1724  H1736   1.101   .     S
C1724  H1737   1.102   .     S
C1724  H1738   1.098   .     S
C1725  C1726   1.426   .     A
C1725  C1730   1.407   .     A
C1726  C1727   1.411   .     A
C1727  C1728   1.391   .     A
C1727  H1739   1.104   .     S
C1728  C1729   1.386   .     A
C1728  H1740   1.100   .     S
C1729  C1730   1.391   .     A
C1729  H1741   1.100   .     S
C1730  H1742   1.102   .     S
C1731  C1732   1.409   .     A
C1732  C1733   1.444   .     A
C1733  H1743   1.100   .     S
C1733  C1734   1.367   .     A
S1744  C1758   1.740   .     A
S1744  C1761   1.748   .     A
O1745  N1748   1.221   .     D
O1746  N1748   1.221   .     D
N1747  C1752   1.428   .     S
N1747  C1758   1.395   .     S
N1747  H1762   1.003   .     S
N1748  C1753   1.431   .     S
N1749  C1750   1.160   .     T
C1750  C1759   1.448   .     S
C1751  C1761   1.496   .     S
C1751  H1763   1.102   .     S
C1751  H1764   1.099   .     S
C1751  H1765   1.098   .     S
C1752  C1753   1.420   .     A
C1752  C1757   1.405   .     A
C1753  C1754   1.411   .     A
C1754  C1755   1.391   .     A
C1754  H1766   1.103   .     S
C1755  C1756   1.387   .     A
C1755  H1767   1.102   .     S
C1756  C1757   1.392   .     A
C1756  H1768   1.100   .     S
C1757  H1769   1.103   .     S
C1758  C1759   1.408   .     A
C1759  C1760   1.443   .     A
C1760  H1770   1.100   .     S
C1760  C1761   1.367   .     A
S1771  C1785   1.736   .     A
S1771  C1788   1.743   .     A
O1772  N1775   1.220   .     D
O1773  N1775   1.221   .     D
N1774  C1779   1.423   .     S
N1774  C1785   1.390   .     S
N1774  H1789   1.008   .     S
N1775  C1780   1.433   .     S
N1776  C1777   1.161   .     T
C1777  C1786   1.449   .     S
C1778  C1788   1.491   .     S
C1778  H1790   1.101   .     S
C1778  H1791   1.102   .     S
C1778  H1792   1.097   .     S
C1779  C1780   1.421   .     A
C1779  C1784   1.405   .     A
C1780  C1781   1.411   .     A
C1781  C1782   1.391   .     A
C1781  H1793   1.105   .     S
C1782  C1783   1.386   .     A
C1782  H1794   1.100   .     S
C1783  C1784   1.391   .     A
C1783  H1795   1.098   .     S
C1784  H1796   1.102   .     S
C1785  C1786   1.410   .     A
C1786  C1787   1.445   .     A
C1787  H1797   1.101   .     S
C1787  C1788   1.367   .     A
S1798  C1812   1.739   .     A
S1798  C1815   1.743   .     A
O1799  N1802   1.221   .     D
O1800  N1802   1.221   .     D
N1801  C1806   1.420   .     S
N1801  C1812   1.390   .     S
N1801  H1816   1.003   .     S
N1802  C1807   1.433   .     S
N1803  C1804   1.160   .     T
C1804  C1813   1.448   .     S
C1805  C1815   1.492   .     S
C1805  H1817   1.102   .     S
C1805  H1818   1.102   .     S
C1805  H1819   1.098   .     S
C1806  C1807   1.428   .     A
C1806  C1811   1.407   .     A
C1807  C1808   1.410   .     A
C1808  C1809   1.390   .     A
C1808  H1820   1.104   .     S
C1809  C1810   1.386   .     A
C1809  H1821   1.100   .     S
C1810  C1811   1.391   .     A
C1810  H1822   1.099   .     S
C1811  H1823   1.098   .     S
C1812  C1813   1.410   .     A
C1813  C1814   1.444   .     A
C1814  H1824   1.100   .     S
C1814  C1815   1.366   .     A
S1825  C1839   1.740   .     A
S1825  C1842   1.746   .     A
O1826  N1829   1.218   .     D
O1827  N1829   1.221   .     D
N1828  C1833   1.423   .     S
N1828  C1839   1.395   .     S
N1828  H1843   1.004   .     S
N1829  C1834   1.430   .     S
N1830  C1831   1.161   .     T
C1831  C1840   1.450   .     S
C1832  C1842   1.495   .     S
C1832  H1844   1.103   .     S
C1832  H1845   1.102   .     S
C1832  H1846   1.099   .     S
C1833  C1834   1.426   .     A
C1833  C1838   1.408   .     A
C1834  C1835   1.411   .     A
C1835  C1836   1.390   .     A
C1835  H1847   1.104   .     S
C1836  C1837   1.386   .     A
C1836  H1848   1.098   .     S
C1837  C1838   1.390   .     A
C1837  H1849   1.098   .     S
C1838  H1850   1.101   .     S
C1839  C1840   1.408   .     A
C1840  C1841   1.445   .     A
C1841  H1851   1.100   .     S
C1841  C1842   1.367   .     A
S1852  C1866   1.735   .     A
S1852  C1869   1.741   .     A
O1853  N1856   1.220   .     D
O1854  N1856   1.221   .     D
N1855  C1860   1.419   .     S
N1855  C1866   1.390   .     S
N1855  H1870   1.001   .     S
N1856  C1861   1.431   .     S
N1857  C1858   1.163   .     T
C1858  C1867   1.451   .     S
C1859  C1869   1.492   .     S
C1859  H1871   1.102   .     S
C1859  H1872   1.099   .     S
C1859  H1873   1.098   .     S
C1860  C1861   1.425   .     A
C1860  C1865   1.407   .     A
C1861  C1862   1.411   .     A
C1862  C1863   1.391   .     A
C1862  H1874   1.104   .     S
C1863  C1864   1.386   .     A
C1863  H1875   1.100   .     S
C1864  C1865   1.391   .     A
C1864  H1876   1.099   .     S
C1865  H1877   1.099   .     S
C1866  C1867   1.406   .     A
C1867  C1868   1.445   .     A
C1868  H1878   1.098   .     S
C1868  C1869   1.366   .     A
S1879  C1893   1.737   .     A
S1879  C1896   1.745   .     A
O1880  N1883   1.221   .     D
O1881  N1883   1.220   .     D
N1882  C1887   1.429   .     S
N1882  C1893   1.393   .     S
N1882  H1897   1.003   .     S
N1883  C1888   1.432   .     S
N1884  C1885   1.162   .     T
C1885  C1894   1.446   .     S
C1886  C1896   1.490   .     S
C1886  H1898   1.101   .     S
C1886  H1899   1.101   .     S
C1886  H1900   1.099   .     S
C1887  C1888   1.418   .     A
C1887  C1892   1.403   .     A
C1888  C1889   1.412   .     A
C1889  C1890   1.391   .     A
C1889  H1901   1.104   .     S
C1890  C1891   1.387   .     A
C1890  H1902   1.099   .     S
C1891  C1892   1.392   .     A
C1891  H1903   1.100   .     S
C1892  H1904   1.105   .     S
C1893  C1894   1.407   .     A
C1894  C1895   1.443   .     A
C1895  H1905   1.101   .     S
C1895  C1896   1.366   .     A
S1906  C1920   1.737   .     A
S1906  C1923   1.744   .     A
O1907  N1910   1.221   .     D
O1908  N1910   1.220   .     D
N1909  C1914   1.414   .     S
N1909  C1920   1.392   .     S
N1909  H1924   1.003   .     S
N1910  C1915   1.432   .     S
N1911  C1912   1.160   .     T
C1912  C1921   1.447   .     S
C1913  C1923   1.492   .     S
C1913  H1925   1.102   .     S
C1913  H1926   1.102   .     S
C1913  H1927   1.098   .     S
C1914  C1915   1.423   .     A
C1914  C1919   1.410   .     A
C1915  C1916   1.410   .     A
C1916  C1917   1.392   .     A
C1916  H1928   1.102   .     S
C1917  C1918   1.387   .     A
C1917  H1929   1.100   .     S
C1918  C1919   1.392   .     A
C1918  H1930   1.099   .     S
C1919  H1931   1.103   .     S
C1920  C1921   1.403   .     A
C1921  C1922   1.443   .     A
C1922  H1932   1.097   .     S
C1922  C1923   1.367   .     A
S1933  C1947   1.739   .     A
S1933  C1950   1.743   .     A
O1934  N1937   1.221   .     D
O1935  N1937   1.221   .     D
N1936  C1941   1.420   .     S
N1936  C1947   1.391   .     S
N1936  H1951   1.002   .     S
N1937  C1942   1.433   .     S
N1938  C1939   1.161   .     T
C1939  C1948   1.446   .     S
C1940  C1950   1.494   .     S
C1940  H1952   1.102   .     S
C1940  H1953   1.102   .     S
C1940  H1954   1.098   .     S
C1941  C1942   1.430   .     A
C1941  C1946   1.407   .     A
C1942  C1943   1.410   .     A
C1943  C1944   1.389   .     A
C1943  H1955   1.102   .     S
C1944  C1945   1.385   .     A
C1944  H1956   1.100   .     S
C1945  C1946   1.391   .     A
C1945  H1957   1.101   .     S
C1946  H1958   1.097   .     S
C1947  C1948   1.408   .     A
C1948  C1949   1.445   .     A
C1949  H1959   1.100   .     S
C1949  C1950   1.366   .     A
S1960  C1974   1.739   .     A
S1960  C1977   1.743   .     A
O1961  N1964   1.221   .     D
O1962  N1964   1.222   .     D
N1963  C1968   1.421   .     S
N1963  C1974   1.391   .     S
N1963  H1978   1.002   .     S
N1964  C1969   1.433   .     S
N1965  C1966   1.161   .     T
C1966  C1975   1.449   .     S
C1967  C1977   1.493   .     S
C1967  H1979   1.103   .     S
C1967  H1980   1.103   .     S
C1967  H1981   1.098   .     S
C1968  C1969   1.427   .     A
C1968  C1973   1.408   .     A
C1969  C1970   1.411   .     A
C1970  C1971   1.391   .     A
C1970  H1982   1.103   .     S
C1971  C1972   1.387   .     A
C1971  H1983   1.100   .     S
C1972  C1973   1.391   .     A
C1972  H1984   1.101   .     S
C1973  H1985   1.101   .     S
C1974  C1975   1.408   .     A
C1975  C1976   1.445   .     A
C1976  H1986   1.100   .     S
C1976  C1977   1.367   .     A
S1987  C2001   1.738   .     A
S1987  C2004   1.745   .     A
O1988  N1991   1.220   .     D
O1989  N1991   1.221   .     D
N1990  C1995   1.418   .     S
N1990  C2001   1.393   .     S
N1990  H2005   1.002   .     S
N1991  C1996   1.432   .     S
N1992  C1993   1.161   .     T
C1993  C2002   1.449   .     S
C1994  C2004   1.494   .     S
C1994  H2006   1.102   .     S
C1994  H2007   1.103   .     S
C1994  H2008   1.099   .     S
C1995  C1996   1.427   .     A
C1995  C2000   1.409   .     A
C1996  C1997   1.411   .     A
C1997  C1998   1.391   .     A
C1997  H2009   1.104   .     S
C1998  C1999   1.386   .     A
C1998  H2010   1.101   .     S
C1999  C2000   1.390   .     A
C1999  H2011   1.099   .     S
C2000  H2012   1.101   .     S
C2001  C2002   1.406   .     A
C2002  C2003   1.446   .     A
C2003  H2013   1.100   .     S
C2003  C2004   1.368   .     A
S2014  C2028   1.744   .     A
S2014  C2031   1.746   .     A
O2015  N2018   1.220   .     D
O2016  N2018   1.221   .     D
N2017  C2022   1.419   .     S
N2017  C2028   1.405   .     S
N2017  H2032   1.003   .     S
N2018  C2023   1.434   .     S
N2019  C2020   1.160   .     T
C2020  C2029   1.449   .     S
C2021  C2031   1.497   .     S
C2021  H2033   1.102   .     S
C2021  H2034   1.102   .     S
C2021  H2035   1.099   .     S
C2022  C2023   1.430   .     A
C2022  C2027   1.410   .     A
C2023  C2024   1.411   .     A
C2024  C2025   1.390   .     A
C2024  H2036   1.104   .     S
C2025  C2026   1.386   .     A
C2025  H2037   1.101   .     S
C2026  C2027   1.391   .     A
C2026  H2038   1.101   .     S
C2027  H2039   1.099   .     S
C2028  C2029   1.410   .     A
C2029  C2030   1.444   .     A
C2030  H2040   1.098   .     S
C2030  C2031   1.366   .     A
S2041  C2055   1.742   .     A
S2041  C2058   1.747   .     A
O2042  N2045   1.218   .     D
O2043  N2045   1.222   .     D
N2044  C2049   1.417   .     S
N2044  C2055   1.399   .     S
N2044  H2059   1.005   .     S
N2045  C2050   1.429   .     S
N2046  C2047   1.161   .     T
C2047  C2056   1.447   .     S
C2048  C2058   1.495   .     S
C2048  H2060   1.102   .     S
C2048  H2061   1.102   .     S
C2048  H2062   1.099   .     S
C2049  C2050   1.428   .     A
C2049  C2054   1.412   .     A
C2050  C2051   1.411   .     A
C2051  C2052   1.391   .     A
C2051  H2063   1.104   .     S
C2052  C2053   1.386   .     A
C2052  H2064   1.100   .     S
C2053  C2054   1.390   .     A
C2053  H2065   1.100   .     S
C2054  H2066   1.104   .     S
C2055  C2056   1.405   .     A
C2056  C2057   1.443   .     A
C2057  H2067   1.100   .     S
C2057  C2058   1.367   .     A
S2068  C2082   1.740   .     A
S2068  C2085   1.747   .     A
O2069  N2072   1.221   .     D
O2070  N2072   1.221   .     D
N2071  C2076   1.415   .     S
N2071  C2082   1.395   .     S
N2071  H2086   1.003   .     S
N2072  C2077   1.431   .     S
N2073  C2074   1.159   .     T
C2074  C2083   1.447   .     S
C2075  C2085   1.493   .     S
C2075  H2087   1.102   .     S
C2075  H2088   1.101   .     S
C2075  H2089   1.098   .     S
C2076  C2077   1.422   .     A
C2076  C2081   1.409   .     A
C2077  C2078   1.410   .     A
C2078  C2079   1.392   .     A
C2078  H2090   1.103   .     S
C2079  C2080   1.387   .     A
C2079  H2091   1.098   .     S
C2080  C2081   1.390   .     A
C2080  H2092   1.098   .     S
C2081  H2093   1.102   .     S
C2082  C2083   1.406   .     A
C2083  C2084   1.440   .     A
C2084  H2094   1.098   .     S
C2084  C2085   1.365   .     A
S2095  C2109   1.739   .     A
S2095  C2112   1.743   .     A
O2096  N2099   1.218   .     D
O2097  N2099   1.220   .     D
N2098  C2103   1.416   .     S
N2098  C2109   1.391   .     S
N2098  H2113   1.006   .     S
N2099  C2104   1.432   .     S
N2100  C2101   1.161   .     T
C2101  C2110   1.450   .     S
C2102  C2112   1.493   .     S
C2102  H2114   1.103   .     S
C2102  H2115   1.102   .     S
C2102  H2116   1.098   .     S
C2103  C2104   1.427   .     A
C2103  C2108   1.409   .     A
C2104  C2105   1.411   .     A
C2105  C2106   1.391   .     A
C2105  H2117   1.101   .     S
C2106  C2107   1.386   .     A
C2106  H2118   1.099   .     S
C2107  C2108   1.391   .     A
C2107  H2119   1.099   .     S
C2108  H2120   1.101   .     S
C2109  C2110   1.407   .     A
C2110  C2111   1.445   .     A
C2111  H2121   1.100   .     S
C2111  C2112   1.367   .     A
S2122  C2136   1.740   .     A
S2122  C2139   1.746   .     A
O2123  N2126   1.221   .     D
O2124  N2126   1.221   .     D
N2125  C2130   1.421   .     S
N2125  C2136   1.393   .     S
N2125  H2140   1.006   .     S
N2126  C2131   1.432   .     S
N2127  C2128   1.160   .     T
C2128  C2137   1.447   .     S
C2129  C2139   1.493   .     S
C2129  H2141   1.101   .     S
C2129  H2142   1.101   .     S
C2129  H2143   1.098   .     S
C2130  C2131   1.423   .     A
C2130  C2135   1.407   .     A
C2131  C2132   1.411   .     A
C2132  C2133   1.392   .     A
C2132  H2144   1.105   .     S
C2133  C2134   1.387   .     A
C2133  H2145   1.099   .     S
C2134  C2135   1.391   .     A
C2134  H2146   1.100   .     S
C2135  H2147   1.103   .     S
C2136  C2137   1.404   .     A
C2137  C2138   1.444   .     A
C2138  H2148   1.099   .     S
C2138  C2139   1.367   .     A
S2149  C2163   1.741   .     A
S2149  C2166   1.742   .     A
O2150  N2153   1.221   .     D
O2151  N2153   1.220   .     D
N2152  C2157   1.418   .     S
N2152  C2163   1.391   .     S
N2152  H2167   1.006   .     S
N2153  C2158   1.431   .     S
N2154  C2155   1.162   .     T
C2155  C2164   1.451   .     S
C2156  C2166   1.493   .     S
C2156  H2168   1.103   .     S
C2156  H2169   1.099   .     S
C2156  H2170   1.103   .     S
C2157  C2158   1.423   .     A
C2157  C2162   1.408   .     A
C2158  C2159   1.411   .     A
C2159  C2160   1.391   .     A
C2159  H2171   1.104   .     S
C2160  C2161   1.386   .     A
C2160  H2172   1.101   .     S
C2161  C2162   1.391   .     A
C2161  H2173   1.098   .     S
C2162  H2174   1.102   .     S
C2163  C2164   1.408   .     A
C2164  C2165   1.445   .     A
C2165  H2175   1.099   .     S
C2165  C2166   1.367   .     A
S2176  C2190   1.737   .     A
S2176  C2193   1.740   .     A
O2177  N2180   1.220   .     D
O2178  N2180   1.221   .     D
N2179  C2184   1.416   .     S
N2179  C2190   1.393   .     S
N2179  H2194   1.001   .     S
N2180  C2185   1.432   .     S
N2181  C2182   1.160   .     T
C2182  C2191   1.448   .     S
C2183  C2193   1.489   .     S
C2183  H2195   1.102   .     S
C2183  H2196   1.102   .     S
C2183  H2197   1.098   .     S
C2184  C2185   1.424   .     A
C2184  C2189   1.409   .     A
C2185  C2186   1.411   .     A
C2186  C2187   1.392   .     A
C2186  H2198   1.104   .     S
C2187  C2188   1.387   .     A
C2187  H2199   1.100   .     S
C2188  C2189   1.391   .     A
C2188  H2200   1.099   .     S
C2189  H2201   1.102   .     S
C2190  C2191   1.406   .     A
C2191  C2192   1.444   .     A
C2192  H2202   1.099   .     S
C2192  C2193   1.366   .     A
S2203  C2217   1.741   .     A
S2203  C2220   1.744   .     A
O2204  N2207   1.221   .     D
O2205  N2207   1.220   .     D
N2206  C2211   1.417   .     S
N2206  C2217   1.399   .     S
N2206  H2221   1.001   .     S
N2207  C2212   1.433   .     S
N2208  C2209   1.160   .     T
C2209  C2218   1.450   .     S
C2210  C2220   1.491   .     S
C2210  H2222   1.099   .     S
C2210  H2223   1.100   .     S
C2210  H2224   1.097   .     S
C2211  C2212   1.428   .     A
C2211  C2216   1.408   .     A
C2212  C2213   1.411   .     A
C2213  C2214   1.391   .     A
C2213  H2225   1.105   .     S
C2214  C2215   1.386   .     A
C2214  H2226   1.101   .     S
C2215  C2216   1.392   .     A
C2215  H2227   1.100   .     S
C2216  H2228   1.099   .     S
C2217  C2218   1.409   .     A
C2218  C2219   1.442   .     A
C2219  H2229   1.099   .     S
C2219  C2220   1.367   .     A
S2230  C2244   1.741   .     A
S2230  C2247   1.745   .     A
O2231  N2234   1.220   .     D
O2232  N2234   1.221   .     D
N2233  C2238   1.416   .     S
N2233  C2244   1.399   .     S
N2233  H2248   1.003   .     S
N2234  C2239   1.432   .     S
N2235  C2236   1.162   .     T
C2236  C2245   1.449   .     S
C2237  C2247   1.494   .     S
C2237  H2249   1.103   .     S
C2237  H2250   1.102   .     S
C2237  H2251   1.098   .     S
C2238  C2239   1.428   .     A
C2238  C2243   1.409   .     A
C2239  C2240   1.410   .     A
C2240  C2241   1.390   .     A
C2240  H2252   1.105   .     S
C2241  C2242   1.385   .     A
C2241  H2253   1.098   .     S
C2242  C2243   1.391   .     A
C2242  H2254   1.098   .     S
C2243  H2255   1.101   .     S
C2244  C2245   1.408   .     A
C2245  C2246   1.443   .     A
C2246  H2256   1.099   .     S
C2246  C2247   1.367   .     A
S2257  C2271   1.740   .     A
S2257  C2274   1.742   .     A
O2258  N2261   1.220   .     D
O2259  N2261   1.220   .     D
N2260  C2265   1.417   .     S
N2260  C2271   1.393   .     S
N2260  H2275   1.004   .     S
N2261  C2266   1.431   .     S
N2262  C2263   1.160   .     T
C2263  C2272   1.446   .     S
C2264  C2274   1.490   .     S
C2264  H2276   1.103   .     S
C2264  H2277   1.101   .     S
C2264  H2278   1.099   .     S
C2265  C2266   1.424   .     A
C2265  C2270   1.409   .     A
C2266  C2267   1.410   .     A
C2267  C2268   1.391   .     A
C2267  H2279   1.103   .     S
C2268  C2269   1.386   .     A
C2268  H2280   1.099   .     S
C2269  C2270   1.391   .     A
C2269  H2281   1.100   .     S
C2270  H2282   1.101   .     S
C2271  C2272   1.407   .     A
C2272  C2273   1.443   .     A
C2273  H2283   1.100   .     S
C2273  C2274   1.367   .     A
S2284  C2298   1.739   .     A
S2284  C2301   1.747   .     A
O2285  N2288   1.221   .     D
O2286  N2288   1.221   .     D
N2287  C2292   1.425   .     S
N2287  C2298   1.393   .     S
N2287  H2302   1.009   .     S
N2288  C2293   1.433   .     S
N2289  C2290   1.161   .     T
C2290  C2299   1.449   .     S
C2291  C2301   1.494   .     S
C2291  H2303   1.103   .     S
C2291  H2304   1.103   .     S
C2291  H2305   1.099   .     S
C2292  C2293   1.422   .     A
C2292  C2297   1.406   .     A
C2293  C2294   1.412   .     A
C2294  C2295   1.391   .     A
C2294  H2306   1.104   .     S
C2295  C2296   1.386   .     A
C2295  H2307   1.099   .     S
C2296  C2297   1.391   .     A
C2296  H2308   1.100   .     S
C2297  H2309   1.102   .     S
C2298  C2299   1.409   .     A
C2299  C2300   1.445   .     A
C2300  H2310   1.100   .     S
C2300  C2301   1.367   .     A
S2311  C2325   1.742   .     A
S2311  C2328   1.747   .     A
O2312  N2315   1.220   .     D
O2313  N2315   1.221   .     D
N2314  C2319   1.418   .     S
N2314  C2325   1.397   .     S
N2314  H2329   1.004   .     S
N2315  C2320   1.433   .     S
N2316  C2317   1.161   .     T
C2317  C2326   1.450   .     S
C2318  C2328   1.494   .     S
C2318  H2330   1.102   .     S
C2318  H2331   1.103   .     S
C2318  H2332   1.099   .     S
C2319  C2320   1.424   .     A
C2319  C2324   1.408   .     A
C2320  C2321   1.410   .     A
C2321  C2322   1.392   .     A
C2321  H2333   1.104   .     S
C2322  C2323   1.388   .     A
C2322  H2334   1.101   .     S
C2323  C2324   1.392   .     A
C2323  H2335   1.101   .     S
C2324  H2336   1.103   .     S
C2325  C2326   1.407   .     A
C2326  C2327   1.444   .     A
C2327  H2337   1.099   .     S
C2327  C2328   1.368   .     A
S2338  C2352   1.739   .     A
S2338  C2355   1.744   .     A
O2339  N2342   1.221   .     D
O2340  N2342   1.221   .     D
N2341  C2346   1.421   .     S
N2341  C2352   1.391   .     S
N2341  H2356   1.003   .     S
N2342  C2347   1.429   .     S
N2343  C2344   1.161   .     T
C2344  C2353   1.449   .     S
C2345  C2355   1.494   .     S
C2345  H2357   1.102   .     S
C2345  H2358   1.102   .     S
C2345  H2359   1.099   .     S
C2346  C2347   1.424   .     A
C2346  C2351   1.407   .     A
C2347  C2348   1.409   .     A
C2348  C2349   1.390   .     A
C2348  H2360   1.103   .     S
C2349  C2350   1.386   .     A
C2349  H2361   1.099   .     S
C2350  C2351   1.390   .     A
C2350  H2362   1.100   .     S
C2351  H2363   1.100   .     S
C2352  C2353   1.408   .     A
C2353  C2354   1.443   .     A
C2354  H2364   1.099   .     S
C2354  C2355   1.367   .     A
S2365  C2379   1.737   .     A
S2365  C2382   1.743   .     A
O2366  N2369   1.219   .     D
O2367  N2369   1.220   .     D
N2368  C2373   1.420   .     S
N2368  C2379   1.391   .     S
N2368  H2383   1.005   .     S
N2369  C2374   1.430   .     S
N2370  C2371   1.161   .     T
C2371  C2380   1.449   .     S
C2372  C2382   1.493   .     S
C2372  H2384   1.103   .     S
C2372  H2385   1.102   .     S
C2372  H2386   1.096   .     S
C2373  C2374   1.427   .     A
C2373  C2378   1.410   .     A
C2374  C2375   1.409   .     A
C2375  C2376   1.389   .     A
C2375  H2387   1.101   .     S
C2376  C2377   1.386   .     A
C2376  H2388   1.100   .     S
C2377  C2378   1.391   .     A
C2377  H2389   1.100   .     S
C2378  H2390   1.100   .     S
C2379  C2380   1.406   .     A
C2380  C2381   1.446   .     A
C2381  H2391   1.101   .     S
C2381  C2382   1.369   .     A
S2392  C2406   1.738   .     A
S2392  C2409   1.744   .     A
O2393  N2396   1.221   .     D
O2394  N2396   1.220   .     D
N2395  C2400   1.419   .     S
N2395  C2406   1.392   .     S
N2395  H2410   1.003   .     S
N2396  C2401   1.433   .     S
N2397  C2398   1.161   .     T
C2398  C2407   1.449   .     S
C2399  C2409   1.494   .     S
C2399  H2411   1.101   .     S
C2399  H2412   1.103   .     S
C2399  H2413   1.098   .     S
C2400  C2401   1.426   .     A
C2400  C2405   1.408   .     A
C2401  C2402   1.411   .     A
C2402  C2403   1.391   .     A
C2402  H2414   1.103   .     S
C2403  C2404   1.386   .     A
C2403  H2415   1.100   .     S
C2404  C2405   1.392   .     A
C2404  H2416   1.100   .     S
C2405  H2417   1.100   .     S
C2406  C2407   1.405   .     A
C2407  C2408   1.446   .     A
C2408  H2418   1.099   .     S
C2408  C2409   1.368   .     A
S2419  C2433   1.738   .     A
S2419  C2436   1.745   .     A
O2420  N2423   1.220   .     D
O2421  N2423   1.220   .     D
N2422  C2427   1.421   .     S
N2422  C2433   1.390   .     S
N2422  H2437   1.003   .     S
N2423  C2428   1.431   .     S
N2424  C2425   1.161   .     T
C2425  C2434   1.449   .     S
C2426  C2436   1.494   .     S
C2426  H2438   1.102   .     S
C2426  H2439   1.102   .     S
C2426  H2440   1.098   .     S
C2427  C2428   1.425   .     A
C2427  C2432   1.407   .     A
C2428  C2429   1.410   .     A
C2429  C2430   1.391   .     A
C2429  H2441   1.104   .     S
C2430  C2431   1.386   .     A
C2430  H2442   1.101   .     S
C2431  C2432   1.392   .     A
C2431  H2443   1.101   .     S
C2432  H2444   1.100   .     S
C2433  C2434   1.408   .     A
C2434  C2435   1.445   .     A
C2435  H2445   1.099   .     S
C2435  C2436   1.367   .     A
S2446  C2460   1.737   .     A
S2446  C2463   1.747   .     A
O2447  N2450   1.220   .     D
O2448  N2450   1.220   .     D
N2449  C2454   1.425   .     S
N2449  C2460   1.390   .     S
N2449  H2464   1.006   .     S
N2450  C2455   1.431   .     S
N2451  C2452   1.162   .     T
C2452  C2461   1.452   .     S
C2453  C2463   1.495   .     S
C2453  H2465   1.101   .     S
C2453  H2466   1.102   .     S
C2453  H2467   1.099   .     S
C2454  C2455   1.418   .     A
C2454  C2459   1.405   .     A
C2455  C2456   1.411   .     A
C2456  C2457   1.392   .     A
C2456  H2468   1.103   .     S
C2457  C2458   1.387   .     A
C2457  H2469   1.100   .     S
C2458  C2459   1.392   .     A
C2458  H2470   1.100   .     S
C2459  H2471   1.103   .     S
C2460  C2461   1.409   .     A
C2461  C2462   1.445   .     A
C2462  H2472   1.100   .     S
C2462  C2463   1.368   .     A
S2473  C2487   1.743   .     A
S2473  C2490   1.745   .     A
O2474  N2477   1.221   .     D
O2475  N2477   1.220   .     D
N2476  C2481   1.415   .     S
N2476  C2487   1.397   .     S
N2476  H2491   1.001   .     S
N2477  C2482   1.432   .     S
N2478  C2479   1.162   .     T
C2479  C2488   1.449   .     S
C2480  C2490   1.493   .     S
C2480  H2492   1.102   .     S
C2480  H2493   1.102   .     S
C2480  H2494   1.098   .     S
C2481  C2482   1.425   .     A
C2481  C2486   1.409   .     A
C2482  C2483   1.411   .     A
C2483  C2484   1.392   .     A
C2483  H2495   1.104   .     S
C2484  C2485   1.387   .     A
C2484  H2496   1.101   .     S
C2485  C2486   1.390   .     A
C2485  H2497   1.101   .     S
C2486  H2498   1.102   .     S
C2487  C2488   1.406   .     A
C2488  C2489   1.443   .     A
C2489  H2499   1.099   .     S
C2489  C2490   1.367   .     A
S2500  C2514   1.738   .     A
S2500  C2517   1.745   .     A
O2501  N2504   1.220   .     D
O2502  N2504   1.221   .     D
N2503  C2508   1.421   .     S
N2503  C2514   1.393   .     S
N2503  H2518   1.003   .     S
N2504  C2509   1.433   .     S
N2505  C2506   1.159   .     T
C2506  C2515   1.448   .     S
C2507  C2517   1.494   .     S
C2507  H2519   1.103   .     S
C2507  H2520   1.102   .     S
C2507  H2521   1.098   .     S
C2508  C2509   1.427   .     A
C2508  C2513   1.408   .     A
C2509  C2510   1.412   .     A
C2510  C2511   1.391   .     A
C2510  H2522   1.104   .     S
C2511  C2512   1.386   .     A
C2511  H2523   1.100   .     S
C2512  C2513   1.391   .     A
C2512  H2524   1.100   .     S
C2513  H2525   1.102   .     S
C2514  C2515   1.408   .     A
C2515  C2516   1.445   .     A
C2516  H2526   1.100   .     S
C2516  C2517   1.367   .     A
S2527  C2541   1.737   .     A
S2527  C2544   1.744   .     A
O2528  N2531   1.221   .     D
O2529  N2531   1.221   .     D
N2530  C2535   1.419   .     S
N2530  C2541   1.391   .     S
N2530  H2545   1.003   .     S
N2531  C2536   1.432   .     S
N2532  C2533   1.162   .     T
C2533  C2542   1.449   .     S
C2534  C2544   1.492   .     S
C2534  H2546   1.103   .     S
C2534  H2547   1.102   .     S
C2534  H2548   1.097   .     S
C2535  C2536   1.425   .     A
C2535  C2540   1.409   .     A
C2536  C2537   1.410   .     A
C2537  C2538   1.391   .     A
C2537  H2549   1.104   .     S
C2538  C2539   1.387   .     A
C2538  H2550   1.100   .     S
C2539  C2540   1.391   .     A
C2539  H2551   1.100   .     S
C2540  H2552   1.102   .     S
C2541  C2542   1.406   .     A
C2542  C2543   1.444   .     A
C2543  H2553   1.099   .     S
C2543  C2544   1.367   .     A
S2554  C2568   1.737   .     A
S2554  C2571   1.742   .     A
O2555  N2558   1.220   .     D
O2556  N2558   1.221   .     D
N2557  C2562   1.421   .     S
N2557  C2568   1.392   .     S
N2557  H2572   1.002   .     S
N2558  C2563   1.431   .     S
N2559  C2560   1.160   .     T
C2560  C2569   1.450   .     S
C2561  C2571   1.490   .     S
C2561  H2573   1.101   .     S
C2561  H2574   1.101   .     S
C2561  H2575   1.098   .     S
C2562  C2563   1.426   .     A
C2562  C2567   1.409   .     A
C2563  C2564   1.411   .     A
C2564  C2565   1.391   .     A
C2564  H2576   1.105   .     S
C2565  C2566   1.386   .     A
C2565  H2577   1.100   .     S
C2566  C2567   1.391   .     A
C2566  H2578   1.100   .     S
C2567  H2579   1.101   .     S
C2568  C2569   1.407   .     A
C2569  C2570   1.446   .     A
C2570  H2580   1.101   .     S
C2570  C2571   1.368   .     A
S2581  C2595   1.739   .     A
S2581  C2598   1.742   .     A
O2582  N2585   1.221   .     D
O2583  N2585   1.221   .     D
N2584  C2589   1.416   .     S
N2584  C2595   1.390   .     S
N2584  H2599   1.000   .     S
N2585  C2590   1.431   .     S
N2586  C2587   1.160   .     T
C2587  C2596   1.449   .     S
C2588  C2598   1.495   .     S
C2588  H2600   1.103   .     S
C2588  H2601   1.101   .     S
C2588  H2602   1.099   .     S
C2589  C2590   1.425   .     A
C2589  C2594   1.407   .     A
C2590  C2591   1.410   .     A
C2591  C2592   1.391   .     A
C2591  H2603   1.103   .     S
C2592  C2593   1.386   .     A
C2592  H2604   1.099   .     S
C2593  C2594   1.390   .     A
C2593  H2605   1.099   .     S
C2594  H2606   1.100   .     S
C2595  C2596   1.407   .     A
C2596  C2597   1.443   .     A
C2597  H2607   1.097   .     S
C2597  C2598   1.366   .     A
S2608  C2622   1.736   .     A
S2608  C2625   1.742   .     A
O2609  N2612   1.220   .     D
O2610  N2612   1.221   .     D
N2611  C2616   1.417   .     S
N2611  C2622   1.395   .     S
N2611  H2626   1.004   .     S
N2612  C2617   1.432   .     S
N2613  C2614   1.160   .     T
C2614  C2623   1.448   .     S
C2615  C2625   1.489   .     S
C2615  H2627   1.102   .     S
C2615  H2628   1.102   .     S
C2615  H2629   1.098   .     S
C2616  C2617   1.425   .     A
C2616  C2621   1.410   .     A
C2617  C2618   1.410   .     A
C2618  C2619   1.391   .     A
C2618  H2630   1.104   .     S
C2619  C2620   1.387   .     A
C2619  H2631   1.100   .     S
C2620  C2621   1.390   .     A
C2620  H2632   1.100   .     S
C2621  H2633   1.104   .     S
C2622  C2623   1.401   .     A
C2623  C2624   1.444   .     A
C2624  H2634   1.100   .     S
C2624  C2625   1.368   .     A
S2635  C2649   1.738   .     A
S2635  C2652   1.744   .     A
O2636  N2639   1.220   .     D
O2637  N2639   1.221   .     D
N2638  C2643   1.416   .     S
N2638  C2649   1.391   .     S
N2638  H2653   1.002   .     S
N2639  C2644   1.433   .     S
N2640  C2641   1.160   .     T
C2641  C2650   1.447   .     S
C2642  C2652   1.492   .     S
C2642  H2654   1.101   .     S
C2642  H2655   1.101   .     S
C2642  H2656   1.099   .     S
C2643  C2644   1.425   .     A
C2643  C2648   1.408   .     A
C2644  C2645   1.411   .     A
C2645  C2646   1.392   .     A
C2645  H2657   1.103   .     S
C2646  C2647   1.387   .     A
C2646  H2658   1.100   .     S
C2647  C2648   1.391   .     A
C2647  H2659   1.101   .     S
C2648  H2660   1.102   .     S
C2649  C2650   1.406   .     A
C2650  C2651   1.443   .     A
C2651  H2661   1.099   .     S
C2651  C2652   1.366   .     A
S2662  C2676   1.740   .     A
S2662  C2679   1.744   .     A
O2663  N2666   1.220   .     D
O2664  N2666   1.219   .     D
N2665  C2670   1.411   .     S
N2665  C2676   1.394   .     S
N2665  H2680   1.002   .     S
N2666  C2671   1.433   .     S
N2667  C2668   1.161   .     T
C2668  C2677   1.450   .     S
C2669  C2679   1.492   .     S
C2669  H2681   1.103   .     S
C2669  H2682   1.102   .     S
C2669  H2683   1.096   .     S
C2670  C2671   1.425   .     A
C2670  C2675   1.409   .     A
C2671  C2672   1.410   .     A
C2672  C2673   1.393   .     A
C2672  H2684   1.104   .     S
C2673  C2674   1.387   .     A
C2673  H2685   1.101   .     S
C2674  C2675   1.392   .     A
C2674  H2686   1.101   .     S
C2675  H2687   1.103   .     S
C2676  C2677   1.402   .     A
C2677  C2678   1.444   .     A
C2678  H2688   1.099   .     S
C2678  C2679   1.369   .     A
S2689  C2703   1.737   .     A
S2689  C2706   1.742   .     A
O2690  N2693   1.220   .     D
O2691  N2693   1.221   .     D
N2692  C2697   1.414   .     S
N2692  C2703   1.390   .     S
N2692  H2707   1.003   .     S
N2693  C2698   1.432   .     S
N2694  C2695   1.162   .     T
C2695  C2704   1.451   .     S
C2696  C2706   1.492   .     S
C2696  H2708   1.101   .     S
C2696  H2709   1.102   .     S
C2696  H2710   1.098   .     S
C2697  C2698   1.426   .     A
C2697  C2702   1.409   .     A
C2698  C2699   1.409   .     A
C2699  C2700   1.391   .     A
C2699  H2711   1.102   .     S
C2700  C2701   1.386   .     A
C2700  H2712   1.099   .     S
C2701  C2702   1.391   .     A
C2701  H2713   1.100   .     S
C2702  H2714   1.102   .     S
C2703  C2704   1.407   .     A
C2704  C2705   1.445   .     A
C2705  H2715   1.100   .     S
C2705  C2706   1.366   .     A
S2716  C2730   1.739   .     A
S2716  C2733   1.744   .     A
O2717  N2720   1.219   .     D
O2718  N2720   1.221   .     D
N2719  C2724   1.423   .     S
N2719  C2730   1.393   .     S
N2719  H2734   1.009   .     S
N2720  C2725   1.431   .     S
N2721  C2722   1.161   .     T
C2722  C2731   1.447   .     S
C2723  C2733   1.492   .     S
C2723  H2735   1.102   .     S
C2723  H2736   1.102   .     S
C2723  H2737   1.097   .     S
C2724  C2725   1.420   .     A
C2724  C2729   1.403   .     A
C2725  C2726   1.412   .     A
C2726  C2727   1.392   .     A
C2726  H2738   1.105   .     S
C2727  C2728   1.387   .     A
C2727  H2739   1.100   .     S
C2728  C2729   1.390   .     A
C2728  H2740   1.100   .     S
C2729  H2741   1.100   .     S
C2730  C2731   1.405   .     A
C2731  C2732   1.444   .     A
C2732  H2742   1.098   .     S
C2732  C2733   1.367   .     A
S2743  C2757   1.738   .     A
S2743  C2760   1.741   .     A
O2744  N2747   1.221   .     D
O2745  N2747   1.220   .     D
N2746  C2751   1.417   .     S
N2746  C2757   1.389   .     S
N2746  H2761   1.001   .     S
N2747  C2752   1.432   .     S
N2748  C2749   1.161   .     T
C2749  C2758   1.449   .     S
C2750  C2760   1.492   .     S
C2750  H2762   1.101   .     S
C2750  H2763   1.102   .     S
C2750  H2764   1.098   .     S
C2751  C2752   1.428   .     A
C2751  C2756   1.407   .     A
C2752  C2753   1.410   .     A
C2753  C2754   1.390   .     A
C2753  H2765   1.105   .     S
C2754  C2755   1.387   .     A
C2754  H2766   1.100   .     S
C2755  C2756   1.392   .     A
C2755  H2767   1.100   .     S
C2756  H2768   1.101   .     S
C2757  C2758   1.408   .     A
C2758  C2759   1.445   .     A
C2759  H2769   1.100   .     S
C2759  C2760   1.366   .     A
S2770  C2784   1.741   .     A
S2770  C2787   1.743   .     A
O2771  N2774   1.221   .     D
O2772  N2774   1.220   .     D
N2773  C2778   1.414   .     S
N2773  C2784   1.396   .     S
N2773  H2788   1.002   .     S
N2774  C2779   1.432   .     S
N2775  C2776   1.161   .     T
C2776  C2785   1.449   .     S
C2777  C2787   1.491   .     S
C2777  H2789   1.103   .     S
C2777  H2790   1.103   .     S
C2777  H2791   1.098   .     S
C2778  C2779   1.425   .     A
C2778  C2783   1.410   .     A
C2779  C2780   1.409   .     A
C2780  C2781   1.391   .     A
C2780  H2792   1.104   .     S
C2781  C2782   1.387   .     A
C2781  H2793   1.101   .     S
C2782  C2783   1.392   .     A
C2782  H2794   1.100   .     S
C2783  H2795   1.103   .     S
C2784  C2785   1.406   .     A
C2785  C2786   1.443   .     A
C2786  H2796   1.097   .     S
C2786  C2787   1.367   .     A
S2797  C2811   1.738   .     A
S2797  C2814   1.742   .     A
O2798  N2801   1.221   .     D
O2799  N2801   1.221   .     D
N2800  C2805   1.420   .     S
N2800  C2811   1.389   .     S
N2800  H2815   1.010   .     S
N2801  C2806   1.432   .     S
N2802  C2803   1.161   .     T
C2803  C2812   1.449   .     S
C2804  C2814   1.494   .     S
C2804  H2816   1.101   .     S
C2804  H2817   1.102   .     S
C2804  H2818   1.099   .     S
C2805  C2806   1.425   .     A
C2805  C2810   1.404   .     A
C2806  C2807   1.410   .     A
C2807  C2808   1.391   .     A
C2807  H2819   1.104   .     S
C2808  C2809   1.387   .     A
C2808  H2820   1.099   .     S
C2809  C2810   1.390   .     A
C2809  H2821   1.100   .     S
C2810  H2822   1.097   .     S
C2811  C2812   1.409   .     A
C2812  C2813   1.443   .     A
C2813  H2823   1.099   .     S
C2813  C2814   1.366   .     A
S2824  C2838   1.736   .     A
S2824  C2841   1.746   .     A
O2825  N2828   1.221   .     D
O2826  N2828   1.221   .     D
N2827  C2832   1.421   .     S
N2827  C2838   1.392   .     S
N2827  H2842   1.002   .     S
N2828  C2833   1.432   .     S
N2829  C2830   1.159   .     T
C2830  C2839   1.446   .     S
C2831  C2841   1.492   .     S
C2831  H2843   1.103   .     S
C2831  H2844   1.101   .     S
C2831  H2845   1.098   .     S
C2832  C2833   1.425   .     A
C2832  C2837   1.409   .     A
C2833  C2834   1.411   .     A
C2834  C2835   1.391   .     A
C2834  H2846   1.101   .     S
C2835  C2836   1.386   .     A
C2835  H2847   1.099   .     S
C2836  C2837   1.391   .     A
C2836  H2848   1.101   .     S
C2837  H2849   1.103   .     S
C2838  C2839   1.405   .     A
C2839  C2840   1.444   .     A
C2840  H2850   1.100   .     S
C2840  C2841   1.367   .     A
S2851  C2865   1.743   .     A
S2851  C2868   1.744   .     A
O2852  N2855   1.219   .     D
O2853  N2855   1.221   .     D
N2854  C2859   1.421   .     S
N2854  C2865   1.399   .     S
N2854  H2869   1.006   .     S
N2855  C2860   1.428   .     S
N2856  C2857   1.163   .     T
C2857  C2866   1.449   .     S
C2858  C2868   1.497   .     S
C2858  H2870   1.102   .     S
C2858  H2871   1.103   .     S
C2858  H2872   1.099   .     S
C2859  C2860   1.428   .     A
C2859  C2864   1.410   .     A
C2860  C2861   1.410   .     A
C2861  C2862   1.388   .     A
C2861  H2873   1.104   .     S
C2862  C2863   1.386   .     A
C2862  H2874   1.099   .     S
C2863  C2864   1.391   .     A
C2863  H2875   1.099   .     S
C2864  H2876   1.099   .     S
C2865  C2866   1.410   .     A
C2866  C2867   1.445   .     A
C2867  H2877   1.100   .     S
C2867  C2868   1.366   .     A
S2878  C2892   1.738   .     A
S2878  C2895   1.743   .     A
O2879  N2882   1.221   .     D
O2880  N2882   1.221   .     D
N2881  C2886   1.417   .     S
N2881  C2892   1.389   .     S
N2881  H2896   1.001   .     S
N2882  C2887   1.433   .     S
N2883  C2884   1.162   .     T
C2884  C2893   1.448   .     S
C2885  C2895   1.491   .     S
C2885  H2897   1.102   .     S
C2885  H2898   1.097   .     S
C2885  H2899   1.098   .     S
C2886  C2887   1.426   .     A
C2886  C2891   1.407   .     A
C2887  C2888   1.411   .     A
C2888  C2889   1.391   .     A
C2888  H2900   1.103   .     S
C2889  C2890   1.386   .     A
C2889  H2901   1.100   .     S
C2890  C2891   1.391   .     A
C2890  H2902   1.099   .     S
C2891  H2903   1.102   .     S
C2892  C2893   1.407   .     A
C2893  C2894   1.445   .     A
C2894  H2904   1.100   .     S
C2894  C2895   1.366   .     A
S2905  C2919   1.739   .     A
S2905  C2922   1.744   .     A
O2906  N2909   1.220   .     D
O2907  N2909   1.221   .     D
N2908  C2913   1.417   .     S
N2908  C2919   1.392   .     S
N2908  H2923   1.003   .     S
N2909  C2914   1.432   .     S
N2910  C2911   1.160   .     T
C2911  C2920   1.449   .     S
C2912  C2922   1.494   .     S
C2912  H2924   1.103   .     S
C2912  H2925   1.102   .     S
C2912  H2926   1.099   .     S
C2913  C2914   1.427   .     A
C2913  C2918   1.409   .     A
C2914  C2915   1.411   .     A
C2915  C2916   1.391   .     A
C2915  H2927   1.104   .     S
C2916  C2917   1.387   .     A
C2916  H2928   1.101   .     S
C2917  C2918   1.391   .     A
C2917  H2929   1.099   .     S
C2918  H2930   1.102   .     S
C2919  C2920   1.408   .     A
C2920  C2921   1.446   .     A
C2921  H2931   1.101   .     S
C2921  C2922   1.367   .     A
S2932  C2946   1.739   .     A
S2932  C2949   1.745   .     A
O2933  N2936   1.220   .     D
O2934  N2936   1.221   .     D
N2935  C2940   1.421   .     S
N2935  C2946   1.395   .     S
N2935  H2950   1.006   .     S
N2936  C2941   1.432   .     S
N2937  C2938   1.160   .     T
C2938  C2947   1.448   .     S
C2939  C2949   1.494   .     S
C2939  H2951   1.103   .     S
C2939  H2952   1.102   .     S
C2939  H2953   1.099   .     S
C2940  C2941   1.425   .     A
C2940  C2945   1.407   .     A
C2941  C2942   1.411   .     A
C2942  C2943   1.390   .     A
C2942  H2954   1.104   .     S
C2943  C2944   1.386   .     A
C2943  H2955   1.099   .     S
C2944  C2945   1.392   .     A
C2944  H2956   1.100   .     S
C2945  H2957   1.102   .     S
C2946  C2947   1.409   .     A
C2947  C2948   1.445   .     A
C2948  H2958   1.101   .     S
C2948  C2949   1.367   .     A
S2959  C2973   1.741   .     A
S2959  C2976   1.741   .     A
O2960  N2963   1.220   .     D
O2961  N2963   1.221   .     D
N2962  C2967   1.419   .     S
N2962  C2973   1.401   .     S
N2962  H2977   1.003   .     S
N2963  C2968   1.434   .     S
N2964  C2965   1.161   .     T
C2965  C2974   1.449   .     S
C2966  C2976   1.490   .     S
C2966  H2978   1.102   .     S
C2966  H2979   1.099   .     S
C2966  H2980   1.102   .     S
C2967  C2968   1.429   .     A
C2967  C2972   1.410   .     A
C2968  C2969   1.412   .     A
C2969  C2970   1.391   .     A
C2969  H2981   1.105   .     S
C2970  C2971   1.386   .     A
C2970  H2982   1.101   .     S
C2971  C2972   1.391   .     A
C2971  H2983   1.100   .     S
C2972  H2984   1.100   .     S
C2973  C2974   1.409   .     A
C2974  C2975   1.444   .     A
C2975  H2985   1.099   .     S
C2975  C2976   1.365   .     A
S2986  C3000   1.739   .     A
S2986  C3003   1.743   .     A
O2987  N2990   1.221   .     D
O2988  N2990   1.221   .     D
N2989  C2994   1.410   .     S
N2989  C3000   1.392   .     S
N2989  H3004   1.001   .     S
N2990  C2995   1.430   .     S
N2991  C2992   1.160   .     T
C2992  C3001   1.448   .     S
C2993  C3003   1.491   .     S
C2993  H3005   1.102   .     S
C2993  H3006   1.102   .     S
C2993  H3007   1.098   .     S
C2994  C2995   1.422   .     A
C2994  C2999   1.409   .     A
C2995  C2996   1.408   .     A
C2996  C2997   1.392   .     A
C2996  H3008   1.103   .     S
C2997  C2998   1.387   .     A
C2997  H3009   1.100   .     S
C2998  C2999   1.390   .     A
C2998  H3010   1.099   .     S
C2999  H3011   1.104   .     S
C3000  C3001   1.402   .     A
C3001  C3002   1.444   .     A
C3002  H3012   1.099   .     S
C3002  C3003   1.368   .     A
S3013  C3027   1.739   .     A
S3013  C3030   1.741   .     A
O3014  N3017   1.221   .     D
O3015  N3017   1.220   .     D
N3016  C3021   1.414   .     S
N3016  C3027   1.393   .     S
N3016  H3031   1.001   .     S
N3017  C3022   1.429   .     S
N3018  C3019   1.163   .     T
C3019  C3028   1.450   .     S
C3020  C3030   1.490   .     S
C3020  H3032   1.103   .     S
C3020  H3033   1.100   .     S
C3020  H3034   1.095   .     S
C3021  C3022   1.423   .     A
C3021  C3026   1.409   .     A
C3022  C3023   1.410   .     A
C3023  C3024   1.392   .     A
C3023  H3035   1.104   .     S
C3024  C3025   1.387   .     A
C3024  H3036   1.099   .     S
C3025  C3026   1.390   .     A
C3025  H3037   1.100   .     S
C3026  H3038   1.101   .     S
C3027  C3028   1.405   .     A
C3028  C3029   1.444   .     A
C3029  H3039   1.098   .     S
C3029  C3030   1.368   .     A
S3040  C3054   1.739   .     A
S3040  C3057   1.747   .     A
O3041  N3044   1.221   .     D
O3042  N3044   1.221   .     D
N3043  C3048   1.424   .     S
N3043  C3054   1.395   .     S
N3043  H3058   1.003   .     S
N3044  C3049   1.431   .     S
N3045  C3046   1.161   .     T
C3046  C3055   1.450   .     S
C3047  C3057   1.495   .     S
C3047  H3059   1.103   .     S
C3047  H3060   1.101   .     S
C3047  H3061   1.099   .     S
C3048  C3049   1.422   .     A
C3048  C3053   1.407   .     A
C3049  C3050   1.412   .     A
C3050  C3051   1.392   .     A
C3050  H3062   1.105   .     S
C3051  C3052   1.387   .     A
C3051  H3063   1.100   .     S
C3052  C3053   1.391   .     A
C3052  H3064   1.100   .     S
C3053  H3065   1.101   .     S
C3054  C3055   1.406   .     A
C3055  C3056   1.445   .     A
C3056  H3066   1.100   .     S
C3056  C3057   1.368   .     A
S3067  C3081   1.739   .     A
S3067  C3084   1.744   .     A
O3068  N3071   1.219   .     D
O3069  N3071   1.220   .     D
N3070  C3075   1.421   .     S
N3070  C3081   1.392   .     S
N3070  H3085   1.006   .     S
N3071  C3076   1.429   .     S
N3072  C3073   1.163   .     T
C3073  C3082   1.451   .     S
C3074  C3084   1.494   .     S
C3074  H3086   1.103   .     S
C3074  H3087   1.102   .     S
C3074  H3088   1.098   .     S
C3075  C3076   1.424   .     A
C3075  C3080   1.410   .     A
C3076  C3077   1.410   .     A
C3077  C3078   1.391   .     A
C3077  H3089   1.102   .     S
C3078  C3079   1.386   .     A
C3078  H3090   1.100   .     S
C3079  C3080   1.391   .     A
C3079  H3091   1.099   .     S
C3080  H3092   1.103   .     S
C3081  C3082   1.404   .     A
C3082  C3083   1.444   .     A
C3083  H3093   1.098   .     S
C3083  C3084   1.368   .     A
S3094  C3108   1.739   .     A
S3094  C3111   1.741   .     A
O3095  N3098   1.221   .     D
O3096  N3098   1.220   .     D
N3097  C3102   1.418   .     S
N3097  C3108   1.389   .     S
N3097  H3112   1.002   .     S
N3098  C3103   1.433   .     S
N3099  C3100   1.161   .     T
C3100  C3109   1.449   .     S
C3101  C3111   1.493   .     S
C3101  H3113   1.102   .     S
C3101  H3114   1.103   .     S
C3101  H3115   1.098   .     S
C3102  C3103   1.430   .     A
C3102  C3107   1.407   .     A
C3103  C3104   1.410   .     A
C3104  C3105   1.390   .     A
C3104  H3116   1.104   .     S
C3105  C3106   1.385   .     A
C3105  H3117   1.100   .     S
C3106  C3107   1.391   .     A
C3106  H3118   1.099   .     S
C3107  H3119   1.098   .     S
C3108  C3109   1.410   .     A
C3109  C3110   1.446   .     A
C3110  H3120   1.101   .     S
C3110  C3111   1.366   .     A
S3121  C3135   1.736   .     A
S3121  C3138   1.743   .     A
O3122  N3125   1.219   .     D
O3123  N3125   1.220   .     D
N3124  C3129   1.419   .     S
N3124  C3135   1.390   .     S
N3124  H3139   1.004   .     S
N3125  C3130   1.432   .     S
N3126  C3127   1.161   .     T
C3127  C3136   1.448   .     S
C3128  C3138   1.490   .     S
C3128  H3140   1.101   .     S
C3128  H3141   1.098   .     S
C3128  H3142   1.099   .     S
C3129  C3130   1.426   .     A
C3129  C3134   1.408   .     A
C3130  C3131   1.411   .     A
C3131  C3132   1.391   .     A
C3131  H3143   1.104   .     S
C3132  C3133   1.387   .     A
C3132  H3144   1.100   .     S
C3133  C3134   1.391   .     A
C3133  H3145   1.100   .     S
C3134  H3146   1.101   .     S
C3135  C3136   1.407   .     A
C3136  C3137   1.444   .     A
C3137  H3147   1.100   .     S
C3137  C3138   1.366   .     A
S3148  C3162   1.739   .     A
S3148  C3165   1.743   .     A
O3149  N3152   1.220   .     D
O3150  N3152   1.221   .     D
N3151  C3156   1.416   .     S
N3151  C3162   1.395   .     S
N3151  H3166   1.006   .     S
N3152  C3157   1.432   .     S
N3153  C3154   1.161   .     T
C3154  C3163   1.449   .     S
C3155  C3165   1.493   .     S
C3155  H3167   1.101   .     S
C3155  H3168   1.102   .     S
C3155  H3169   1.098   .     S
C3156  C3157   1.428   .     A
C3156  C3161   1.410   .     A
C3157  C3158   1.411   .     A
C3158  C3159   1.391   .     A
C3158  H3170   1.104   .     S
C3159  C3160   1.386   .     A
C3159  H3171   1.101   .     S
C3160  C3161   1.391   .     A
C3160  H3172   1.101   .     S
C3161  H3173   1.101   .     S
C3162  C3163   1.406   .     A
C3163  C3164   1.445   .     A
C3164  H3174   1.100   .     S
C3164  C3165   1.367   .     A
S3175  C3189   1.739   .     A
S3175  C3192   1.742   .     A
O3176  N3179   1.219   .     D
O3177  N3179   1.220   .     D
N3178  C3183   1.420   .     S
N3178  C3189   1.402   .     S
N3178  H3193   1.000   .     S
N3179  C3184   1.431   .     S
N3180  C3181   1.161   .     T
C3181  C3190   1.449   .     S
C3182  C3192   1.490   .     S
C3182  H3194   1.102   .     S
C3182  H3195   1.102   .     S
C3182  H3196   1.098   .     S
C3183  C3184   1.430   .     A
C3183  C3188   1.409   .     A
C3184  C3185   1.410   .     A
C3185  C3186   1.389   .     A
C3185  H3197   1.104   .     S
C3186  C3187   1.385   .     A
C3186  H3198   1.099   .     S
C3187  C3188   1.391   .     A
C3187  H3199   1.100   .     S
C3188  H3200   1.098   .     S
C3189  C3190   1.410   .     A
C3190  C3191   1.445   .     A
C3191  H3201   1.099   .     S
C3191  C3192   1.366   .     A
S3202  C3216   1.740   .     A
S3202  C3219   1.743   .     A
O3203  N3206   1.220   .     D
O3204  N3206   1.221   .     D
N3205  C3210   1.418   .     S
N3205  C3216   1.404   .     S
N3205  H3220   1.002   .     S
N3206  C3211   1.432   .     S
N3207  C3208   1.159   .     T
C3208  C3217   1.447   .     S
C3209  C3219   1.491   .     S
C3209  H3221   1.102   .     S
C3209  H3222   1.102   .     S
C3209  H3223   1.099   .     S
C3210  C3211   1.429   .     A
C3210  C3215   1.409   .     A
C3211  C3212   1.411   .     A
C3212  C3213   1.390   .     A
C3212  H3224   1.104   .     S
C3213  C3214   1.386   .     A
C3213  H3225   1.100   .     S
C3214  C3215   1.391   .     A
C3214  H3226   1.099   .     S
C3215  H3227   1.098   .     S
C3216  C3217   1.409   .     A
C3217  C3218   1.444   .     A
C3218  H3228   1.100   .     S
C3218  C3219   1.367   .     A
S3229  C3243   1.736   .     A
S3229  C3246   1.739   .     A
O3230  N3233   1.220   .     D
O3231  N3233   1.221   .     D
N3232  C3237   1.418   .     S
N3232  C3243   1.388   .     S
N3232  H3247   1.003   .     S
N3233  C3238   1.433   .     S
N3234  C3235   1.161   .     T
C3235  C3244   1.449   .     S
C3236  C3246   1.487   .     S
C3236  H3248   1.102   .     S
C3236  H3249   1.101   .     S
C3236  H3250   1.097   .     S
C3237  C3238   1.427   .     A
C3237  C3242   1.408   .     A
C3238  C3239   1.409   .     A
C3239  C3240   1.390   .     A
C3239  H3251   1.103   .     S
C3240  C3241   1.387   .     A
C3240  H3252   1.100   .     S
C3241  C3242   1.392   .     A
C3241  H3253   1.100   .     S
C3242  H3254   1.101   .     S
C3243  C3244   1.408   .     A
C3244  C3245   1.445   .     A
C3245  H3255   1.100   .     S
C3245  C3246   1.366   .     A
S3256  C3270   1.739   .     A
S3256  C3273   1.745   .     A
O3257  N3260   1.221   .     D
O3258  N3260   1.221   .     D
N3259  C3264   1.415   .     S
N3259  C3270   1.397   .     S
N3259  H3274   1.000   .     S
N3260  C3265   1.431   .     S
N3261  C3262   1.161   .     T
C3262  C3271   1.449   .     S
C3263  C3273   1.494   .     S
C3263  H3275   1.102   .     S
C3263  H3276   1.103   .     S
C3263  H3277   1.098   .     S
C3264  C3265   1.420   .     A
C3264  C3269   1.404   .     A
C3265  C3266   1.412   .     A
C3266  C3267   1.393   .     A
C3266  H3278   1.104   .     S
C3267  C3268   1.388   .     A
C3267  H3279   1.101   .     S
C3268  C3269   1.390   .     A
C3268  H3280   1.100   .     S
C3269  H3281   1.105   .     S
C3270  C3271   1.401   .     A
C3271  C3272   1.445   .     A
C3272  H3282   1.098   .     S
C3272  C3273   1.369   .     A
S3283  C3297   1.736   .     A
S3283  C3300   1.742   .     A
O3284  N3287   1.220   .     D
O3285  N3287   1.221   .     D
N3286  C3291   1.420   .     S
N3286  C3297   1.392   .     S
N3286  H3301   1.006   .     S
N3287  C3292   1.432   .     S
N3288  C3289   1.163   .     T
C3289  C3298   1.451   .     S
C3290  C3300   1.492   .     S
C3290  H3302   1.103   .     S
C3290  H3303   1.102   .     S
C3290  H3304   1.098   .     S
C3291  C3292   1.419   .     A
C3291  C3296   1.407   .     A
C3292  C3293   1.411   .     A
C3293  C3294   1.392   .     A
C3293  H3305   1.102   .     S
C3294  C3295   1.387   .     A
C3294  H3306   1.101   .     S
C3295  C3296   1.391   .     A
C3295  H3307   1.101   .     S
C3296  H3308   1.104   .     S
C3297  C3298   1.408   .     A
C3298  C3299   1.445   .     A
C3299  H3309   1.100   .     S
C3299  C3300   1.366   .     A
S3310  C3324   1.737   .     A
S3310  C3327   1.744   .     A
O3311  N3314   1.220   .     D
O3312  N3314   1.220   .     D
N3313  C3318   1.414   .     S
N3313  C3324   1.392   .     S
N3313  H3328   1.001   .     S
N3314  C3319   1.429   .     S
N3315  C3316   1.162   .     T
C3316  C3325   1.450   .     S
C3317  C3327   1.493   .     S
C3317  H3329   1.103   .     S
C3317  H3330   1.103   .     S
C3317  H3331   1.098   .     S
C3318  C3319   1.423   .     A
C3318  C3323   1.410   .     A
C3319  C3320   1.410   .     A
C3320  C3321   1.390   .     A
C3320  H3332   1.103   .     S
C3321  C3322   1.387   .     A
C3321  H3333   1.099   .     S
C3322  C3323   1.391   .     A
C3322  H3334   1.100   .     S
C3323  H3335   1.103   .     S
C3324  C3325   1.404   .     A
C3325  C3326   1.445   .     A
C3326  H3336   1.099   .     S
C3326  C3327   1.367   .     A
S3337  C3351   1.737   .     A
S3337  C3354   1.744   .     A
O3338  N3341   1.220   .     D
O3339  N3341   1.221   .     D
N3340  C3345   1.415   .     S
N3340  C3351   1.400   .     S
N3340  H3355   1.002   .     S
N3341  C3346   1.430   .     S
N3342  C3343   1.162   .     T
C3343  C3352   1.449   .     S
C3344  C3354   1.495   .     S
C3344  H3356   1.102   .     S
C3344  H3357   1.102   .     S
C3344  H3358   1.098   .     S
C3345  C3346   1.426   .     A
C3345  C3350   1.410   .     A
C3346  C3347   1.411   .     A
C3347  C3348   1.392   .     A
C3347  H3359   1.105   .     S
C3348  C3349   1.387   .     A
C3348  H3360   1.100   .     S
C3349  C3350   1.391   .     A
C3349  H3361   1.100   .     S
C3350  H3362   1.104   .     S
C3351  C3352   1.399   .     A
C3352  C3353   1.446   .     A
C3353  H3363   1.100   .     S
C3353  C3354   1.367   .     A
S3364  C3378   1.735   .     A
S3364  C3381   1.741   .     A
O3365  N3368   1.221   .     D
O3366  N3368   1.220   .     D
N3367  C3372   1.416   .     S
N3367  C3378   1.390   .     S
N3367  H3382   1.002   .     S
N3368  C3373   1.431   .     S
N3369  C3370   1.162   .     T
C3370  C3379   1.449   .     S
C3371  C3381   1.493   .     S
C3371  H3383   1.102   .     S
C3371  H3384   1.102   .     S
C3371  H3385   1.098   .     S
C3372  C3373   1.424   .     A
C3372  C3377   1.408   .     A
C3373  C3374   1.411   .     A
C3374  C3375   1.391   .     A
C3374  H3386   1.104   .     S
C3375  C3376   1.387   .     A
C3375  H3387   1.100   .     S
C3376  C3377   1.391   .     A
C3376  H3388   1.101   .     S
C3377  H3389   1.102   .     S
C3378  C3379   1.405   .     A
C3379  C3380   1.445   .     A
C3380  H3390   1.099   .     S
C3380  C3381   1.367   .     A
S3391  C3405   1.734   .     A
S3391  C3408   1.742   .     A
O3392  N3395   1.220   .     D
O3393  N3395   1.221   .     D
N3394  C3399   1.414   .     S
N3394  C3405   1.396   .     S
N3394  H3409   1.004   .     S
N3395  C3400   1.432   .     S
N3396  C3397   1.163   .     T
C3397  C3406   1.443   .     S
C3398  C3408   1.491   .     S
C3398  H3410   1.103   .     S
C3398  H3411   1.098   .     S
C3398  H3412   1.095   .     S
C3399  C3400   1.424   .     A
C3399  C3404   1.412   .     A
C3400  C3401   1.409   .     A
C3401  C3402   1.392   .     A
C3401  H3413   1.103   .     S
C3402  C3403   1.387   .     A
C3402  H3414   1.101   .     S
C3403  C3404   1.392   .     A
C3403  H3415   1.102   .     S
C3404  H3416   1.104   .     S
C3405  C3406   1.397   .     A
C3406  C3407   1.445   .     A
C3407  H3417   1.101   .     S
C3407  C3408   1.367   .     A
S3418  C3432   1.739   .     A
S3418  C3435   1.743   .     A
O3419  N3422   1.221   .     D
O3420  N3422   1.221   .     D
N3421  C3426   1.421   .     S
N3421  C3432   1.389   .     S
N3421  H3436   1.002   .     S
N3422  C3427   1.433   .     S
N3423  C3424   1.163   .     T
C3424  C3433   1.450   .     S
C3425  C3435   1.493   .     S
C3425  H3437   1.103   .     S
C3425  H3438   1.101   .     S
C3425  H3439   1.097   .     S
C3426  C3427   1.426   .     A
C3426  C3431   1.406   .     A
C3427  C3428   1.410   .     A
C3428  C3429   1.390   .     A
C3428  H3440   1.102   .     S
C3429  C3430   1.386   .     A
C3429  H3441   1.099   .     S
C3430  C3431   1.391   .     A
C3430  H3442   1.098   .     S
C3431  H3443   1.100   .     S
C3432  C3433   1.409   .     A
C3433  C3434   1.446   .     A
C3434  H3444   1.101   .     S
C3434  C3435   1.367   .     A
S3445  C3459   1.742   .     A
S3445  C3462   1.744   .     A
O3446  N3449   1.220   .     D
O3447  N3449   1.221   .     D
N3448  C3453   1.419   .     S
N3448  C3459   1.394   .     S
N3448  H3463   1.002   .     S
N3449  C3454   1.432   .     S
N3450  C3451   1.160   .     T
C3451  C3460   1.447   .     S
C3452  C3462   1.494   .     S
C3452  H3464   1.099   .     S
C3452  H3465   1.102   .     S
C3452  H3466   1.099   .     S
C3453  C3454   1.428   .     A
C3453  C3458   1.407   .     A
C3454  C3455   1.411   .     A
C3455  C3456   1.390   .     A
C3455  H3467   1.104   .     S
C3456  C3457   1.386   .     A
C3456  H3468   1.100   .     S
C3457  C3458   1.391   .     A
C3457  H3469   1.098   .     S
C3458  H3470   1.100   .     S
C3459  C3460   1.408   .     A
C3460  C3461   1.444   .     A
C3461  H3471   1.098   .     S
C3461  C3462   1.365   .     A
S3472  C3486   1.736   .     A
S3472  C3489   1.742   .     A
O3473  N3476   1.221   .     D
O3474  N3476   1.221   .     D
N3475  C3480   1.413   .     S
N3475  C3486   1.388   .     S
N3475  H3490   1.001   .     S
N3476  C3481   1.432   .     S
N3477  C3478   1.163   .     T
C3478  C3487   1.454   .     S
C3479  C3489   1.493   .     S
C3479  H3491   1.102   .     S
C3479  H3492   1.102   .     S
C3479  H3493   1.097   .     S
C3480  C3481   1.424   .     A
C3480  C3485   1.409   .     A
C3481  C3482   1.409   .     A
C3482  C3483   1.391   .     A
C3482  H3494   1.104   .     S
C3483  C3484   1.386   .     A
C3483  H3495   1.101   .     S
C3484  C3485   1.391   .     A
C3484  H3496   1.100   .     S
C3485  H3497   1.101   .     S
C3486  C3487   1.408   .     A
C3487  C3488   1.446   .     A
C3488  H3498   1.098   .     S
C3488  C3489   1.368   .     A
S3499  C3513   1.739   .     A
S3499  C3516   1.746   .     A
O3500  N3503   1.221   .     D
O3501  N3503   1.220   .     D
N3502  C3507   1.413   .     S
N3502  C3513   1.403   .     S
N3502  H3517   1.003   .     S
N3503  C3508   1.430   .     S
N3504  C3505   1.160   .     T
C3505  C3514   1.447   .     S
C3506  C3516   1.492   .     S
C3506  H3518   1.100   .     S
C3506  H3519   1.102   .     S
C3506  H3520   1.098   .     S
C3507  C3508   1.424   .     A
C3507  C3512   1.409   .     A
C3508  C3509   1.410   .     A
C3509  C3510   1.391   .     A
C3509  H3521   1.103   .     S
C3510  C3511   1.386   .     A
C3510  H3522   1.099   .     S
C3511  C3512   1.389   .     A
C3511  H3523   1.099   .     S
C3512  H3524   1.104   .     S
C3513  C3514   1.400   .     A
C3514  C3515   1.444   .     A
C3515  H3525   1.100   .     S
C3515  C3516   1.367   .     A
S3526  C3540   1.738   .     A
S3526  C3543   1.743   .     A
O3527  N3530   1.220   .     D
O3528  N3530   1.221   .     D
N3529  C3534   1.417   .     S
N3529  C3540   1.392   .     S
N3529  H3544   1.005   .     S
N3530  C3535   1.432   .     S
N3531  C3532   1.161   .     T
C3532  C3541   1.449   .     S
C3533  C3543   1.493   .     S
C3533  H3545   1.102   .     S
C3533  H3546   1.103   .     S
C3533  H3547   1.098   .     S
C3534  C3535   1.425   .     A
C3534  C3539   1.408   .     A
C3535  C3536   1.411   .     A
C3536  C3537   1.391   .     A
C3536  H3548   1.104   .     S
C3537  C3538   1.387   .     A
C3537  H3549   1.101   .     S
C3538  C3539   1.391   .     A
C3538  H3550   1.101   .     S
C3539  H3551   1.104   .     S
C3540  C3541   1.408   .     A
C3541  C3542   1.445   .     A
C3542  H3552   1.099   .     S
C3542  C3543   1.366   .     A
S3553  C3567   1.737   .     A
S3553  C3570   1.741   .     A
O3554  N3557   1.219   .     D
O3555  N3557   1.220   .     D
N3556  C3561   1.420   .     S
N3556  C3567   1.392   .     S
N3556  H3571   1.005   .     S
N3557  C3562   1.432   .     S
N3558  C3559   1.161   .     T
C3559  C3568   1.448   .     S
C3560  C3570   1.489   .     S
C3560  H3572   1.100   .     S
C3560  H3573   1.102   .     S
C3560  H3574   1.098   .     S
C3561  C3562   1.429   .     A
C3561  C3566   1.409   .     A
C3562  C3563   1.411   .     A
C3563  C3564   1.390   .     A
C3563  H3575   1.104   .     S
C3564  C3565   1.386   .     A
C3564  H3576   1.100   .     S
C3565  C3566   1.391   .     A
C3565  H3577   1.100   .     S
C3566  H3578   1.100   .     S
C3567  C3568   1.407   .     A
C3568  C3569   1.444   .     A
C3569  H3579   1.100   .     S
C3569  C3570   1.366   .     A
S3580  C3594   1.739   .     A
S3580  C3597   1.742   .     A
O3581  N3584   1.221   .     D
O3582  N3584   1.221   .     D
N3583  C3588   1.418   .     S
N3583  C3594   1.391   .     S
N3583  H3598   1.002   .     S
N3584  C3589   1.432   .     S
N3585  C3586   1.161   .     T
C3586  C3595   1.448   .     S
C3587  C3597   1.492   .     S
C3587  H3599   1.101   .     S
C3587  H3600   1.101   .     S
C3587  H3601   1.099   .     S
C3588  C3589   1.427   .     A
C3588  C3593   1.406   .     A
C3589  C3590   1.411   .     A
C3590  C3591   1.390   .     A
C3590  H3602   1.104   .     S
C3591  C3592   1.385   .     A
C3591  H3603   1.100   .     S
C3592  C3593   1.392   .     A
C3592  H3604   1.098   .     S
C3593  H3605   1.099   .     S
C3594  C3595   1.409   .     A
C3595  C3596   1.446   .     A
C3596  H3606   1.100   .     S
C3596  C3597   1.366   .     A
S3607  C3621   1.738   .     A
S3607  C3624   1.742   .     A
O3608  N3611   1.221   .     D
O3609  N3611   1.220   .     D
N3610  C3615   1.415   .     S
N3610  C3621   1.388   .     S
N3610  H3625   1.000   .     S
N3611  C3616   1.432   .     S
N3612  C3613   1.161   .     T
C3613  C3622   1.449   .     S
C3614  C3624   1.491   .     S
C3614  H3626   1.102   .     S
C3614  H3627   1.097   .     S
C3614  H3628   1.098   .     S
C3615  C3616   1.426   .     A
C3615  C3620   1.408   .     A
C3616  C3617   1.410   .     A
C3617  C3618   1.391   .     A
C3617  H3629   1.104   .     S
C3618  C3619   1.386   .     A
C3618  H3630   1.100   .     S
C3619  C3620   1.390   .     A
C3619  H3631   1.100   .     S
C3620  H3632   1.101   .     S
C3621  C3622   1.409   .     A
C3622  C3623   1.442   .     A
C3623  H3633   1.099   .     S
C3623  C3624   1.365   .     A
S3634  C3648   1.739   .     A
S3634  C3651   1.743   .     A
O3635  N3638   1.220   .     D
O3636  N3638   1.221   .     D
N3637  C3642   1.421   .     S
N3637  C3648   1.392   .     S
N3637  H3652   1.005   .     S
N3638  C3643   1.432   .     S
N3639  C3640   1.162   .     T
C3640  C3649   1.450   .     S
C3641  C3651   1.494   .     S
C3641  H3653   1.102   .     S
C3641  H3654   1.102   .     S
C3641  H3655   1.099   .     S
C3642  C3643   1.424   .     A
C3642  C3647   1.407   .     A
C3643  C3644   1.412   .     A
C3644  C3645   1.391   .     A
C3644  H3656   1.104   .     S
C3645  C3646   1.387   .     A
C3645  H3657   1.100   .     S
C3646  C3647   1.392   .     A
C3646  H3658   1.101   .     S
C3647  H3659   1.103   .     S
C3648  C3649   1.410   .     A
C3649  C3650   1.445   .     A
C3650  H3660   1.100   .     S
C3650  C3651   1.367   .     A
S3661  C3675   1.741   .     A
S3661  C3678   1.744   .     A
O3662  N3665   1.220   .     D
O3663  N3665   1.221   .     D
N3664  C3669   1.418   .     S
N3664  C3675   1.393   .     S
N3664  H3679   1.004   .     S
N3665  C3670   1.430   .     S
N3666  C3667   1.162   .     T
C3667  C3676   1.450   .     S
C3668  C3678   1.494   .     S
C3668  H3680   1.102   .     S
C3668  H3681   1.103   .     S
C3668  H3682   1.099   .     S
C3669  C3670   1.423   .     A
C3669  C3674   1.405   .     A
C3670  C3671   1.411   .     A
C3671  C3672   1.392   .     A
C3671  H3683   1.105   .     S
C3672  C3673   1.387   .     A
C3672  H3684   1.100   .     S
C3673  C3674   1.391   .     A
C3673  H3685   1.099   .     S
C3674  H3686   1.101   .     S
C3675  C3676   1.407   .     A
C3676  C3677   1.447   .     A
C3677  H3687   1.099   .     S
C3677  C3678   1.368   .     A
S3688  C3702   1.737   .     A
S3688  C3705   1.739   .     A
O3689  N3692   1.220   .     D
O3690  N3692   1.221   .     D
N3691  C3696   1.416   .     S
N3691  C3702   1.391   .     S
N3691  H3706   1.003   .     S
N3692  C3697   1.434   .     S
N3693  C3694   1.161   .     T
C3694  C3703   1.446   .     S
C3695  C3705   1.491   .     S
C3695  H3707   1.102   .     S
C3695  H3708   1.101   .     S
C3695  H3709   1.097   .     S
C3696  C3697   1.428   .     A
C3696  C3701   1.407   .     A
C3697  C3698   1.412   .     A
C3698  C3699   1.392   .     A
C3698  H3710   1.105   .     S
C3699  C3700   1.387   .     A
C3699  H3711   1.100   .     S
C3700  C3701   1.391   .     A
C3700  H3712   1.100   .     S
C3701  H3713   1.100   .     S
C3702  C3703   1.408   .     A
C3703  C3704   1.443   .     A
C3704  H3714   1.098   .     S
C3704  C3705   1.365   .     A
S3715  C3729   1.737   .     A
S3715  C3732   1.742   .     A
O3716  N3719   1.220   .     D
O3717  N3719   1.222   .     D
N3718  C3723   1.419   .     S
N3718  C3729   1.391   .     S
N3718  H3733   1.003   .     S
N3719  C3724   1.432   .     S
N3720  C3721   1.161   .     T
C3721  C3730   1.449   .     S
C3722  C3732   1.491   .     S
C3722  H3734   1.102   .     S
C3722  H3735   1.102   .     S
C3722  H3736   1.097   .     S
C3723  C3724   1.425   .     A
C3723  C3728   1.408   .     A
C3724  C3725   1.411   .     A
C3725  C3726   1.391   .     A
C3725  H3737   1.104   .     S
C3726  C3727   1.387   .     A
C3726  H3738   1.100   .     S
C3727  C3728   1.392   .     A
C3727  H3739   1.100   .     S
C3728  H3740   1.102   .     S
C3729  C3730   1.407   .     A
C3730  C3731   1.445   .     A
C3731  H3741   1.099   .     S
C3731  C3732   1.366   .     A
S3742  C3756   1.740   .     A
S3742  C3759   1.742   .     A
O3743  N3746   1.220   .     D
O3744  N3746   1.221   .     D
N3745  C3750   1.418   .     S
N3745  C3756   1.394   .     S
N3745  H3760   1.002   .     S
N3746  C3751   1.432   .     S
N3747  C3748   1.162   .     T
C3748  C3757   1.450   .     S
C3749  C3759   1.493   .     S
C3749  H3761   1.102   .     S
C3749  H3762   1.102   .     S
C3749  H3763   1.098   .     S
C3750  C3751   1.430   .     A
C3750  C3755   1.409   .     A
C3751  C3752   1.411   .     A
C3752  C3753   1.390   .     A
C3752  H3764   1.105   .     S
C3753  C3754   1.386   .     A
C3753  H3765   1.100   .     S
C3754  C3755   1.391   .     A
C3754  H3766   1.100   .     S
C3755  H3767   1.100   .     S
C3756  C3757   1.409   .     A
C3757  C3758   1.446   .     A
C3758  H3768   1.098   .     S
C3758  C3759   1.366   .     A
S3769  C3783   1.736   .     A
S3769  C3786   1.742   .     A
O3770  N3773   1.220   .     D
O3771  N3773   1.221   .     D
N3772  C3777   1.417   .     S
N3772  C3783   1.390   .     S
N3772  H3787   1.003   .     S
N3773  C3778   1.432   .     S
N3774  C3775   1.161   .     T
C3775  C3784   1.448   .     S
C3776  C3786   1.489   .     S
C3776  H3788   1.101   .     S
C3776  H3789   1.103   .     S
C3776  H3790   1.098   .     S
C3777  C3778   1.428   .     A
C3777  C3782   1.409   .     A
C3778  C3779   1.410   .     A
C3779  C3780   1.390   .     A
C3779  H3791   1.103   .     S
C3780  C3781   1.385   .     A
C3780  H3792   1.099   .     S
C3781  C3782   1.390   .     A
C3781  H3793   1.100   .     S
C3782  H3794   1.101   .     S
C3783  C3784   1.405   .     A
C3784  C3785   1.446   .     A
C3785  H3795   1.100   .     S
C3785  C3786   1.368   .     A
S3796  C3810   1.738   .     A
S3796  C3813   1.743   .     A
O3797  N3800   1.221   .     D
O3798  N3800   1.221   .     D
N3799  C3804   1.420   .     S
N3799  C3810   1.390   .     S
N3799  H3814   1.004   .     S
N3800  C3805   1.434   .     S
N3801  C3802   1.162   .     T
C3802  C3811   1.450   .     S
C3803  C3813   1.493   .     S
C3803  H3815   1.102   .     S
C3803  H3816   1.103   .     S
C3803  H3817   1.098   .     S
C3804  C3805   1.427   .     A
C3804  C3809   1.408   .     A
C3805  C3806   1.411   .     A
C3806  C3807   1.391   .     A
C3806  H3818   1.103   .     S
C3807  C3808   1.387   .     A
C3807  H3819   1.099   .     S
C3808  C3809   1.391   .     A
C3808  H3820   1.099   .     S
C3809  H3821   1.100   .     S
C3810  C3811   1.408   .     A
C3811  C3812   1.444   .     A
C3812  H3822   1.100   .     S
C3812  C3813   1.366   .     A
S3823  C3837   1.741   .     A
S3823  C3840   1.742   .     A
O3824  N3827   1.221   .     D
O3825  N3827   1.221   .     D
N3826  C3831   1.418   .     S
N3826  C3837   1.398   .     S
N3826  H3841   1.002   .     S
N3827  C3832   1.432   .     S
N3828  C3829   1.159   .     T
C3829  C3838   1.448   .     S
C3830  C3840   1.494   .     S
C3830  H3842   1.103   .     S
C3830  H3843   1.103   .     S
C3830  H3844   1.099   .     S
C3831  C3832   1.425   .     A
C3831  C3836   1.409   .     A
C3832  C3833   1.412   .     A
C3833  C3834   1.392   .     A
C3833  H3845   1.104   .     S
C3834  C3835   1.386   .     A
C3834  H3846   1.100   .     S
C3835  C3836   1.390   .     A
C3835  H3847   1.099   .     S
C3836  H3848   1.102   .     S
C3837  C3838   1.407   .     A
C3838  C3839   1.445   .     A
C3839  H3849   1.100   .     S
C3839  C3840   1.367   .     A
S3850  C3864   1.736   .     A
S3850  C3867   1.743   .     A
O3851  N3854   1.220   .     D
O3852  N3854   1.221   .     D
N3853  C3858   1.424   .     S
N3853  C3864   1.392   .     S
N3853  H3868   1.008   .     S
N3854  C3859   1.432   .     S
N3855  C3856   1.160   .     T
C3856  C3865   1.449   .     S
C3857  C3867   1.493   .     S
C3857  H3869   1.102   .     S
C3857  H3870   1.102   .     S
C3857  H3871   1.099   .     S
C3858  C3859   1.420   .     A
C3858  C3863   1.405   .     A
C3859  C3860   1.410   .     A
C3860  C3861   1.391   .     A
C3860  H3872   1.101   .     S
C3861  C3862   1.386   .     A
C3861  H3873   1.100   .     S
C3862  C3863   1.392   .     A
C3862  H3874   1.098   .     S
C3863  H3875   1.102   .     S
C3864  C3865   1.405   .     A
C3865  C3866   1.444   .     A
C3866  H3876   1.100   .     S
C3866  C3867   1.367   .     A
S3877  C3891   1.733   .     A
S3877  C3894   1.739   .     A
O3878  N3881   1.221   .     D
O3879  N3881   1.222   .     D
N3880  C3885   1.416   .     S
N3880  C3891   1.385   .     S
N3880  H3895   1.006   .     S
N3881  C3886   1.434   .     S
N3882  C3883   1.161   .     T
C3883  C3892   1.450   .     S
C3884  C3894   1.488   .     S
C3884  H3896   1.100   .     S
C3884  H3897   1.101   .     S
C3884  H3898   1.096   .     S
C3885  C3886   1.424   .     A
C3885  C3890   1.406   .     A
C3886  C3887   1.411   .     A
C3887  C3888   1.392   .     A
C3887  H3899   1.103   .     S
C3888  C3889   1.387   .     A
C3888  H3900   1.100   .     S
C3889  C3890   1.391   .     A
C3889  H3901   1.099   .     S
C3890  H3902   1.102   .     S
C3891  C3892   1.408   .     A
C3892  C3893   1.444   .     A
C3893  H3903   1.097   .     S
C3893  C3894   1.366   .     A
S3904  C3918   1.735   .     A
S3904  C3921   1.741   .     A
O3905  N3908   1.220   .     D
O3906  N3908   1.221   .     D
N3907  C3912   1.418   .     S
N3907  C3918   1.391   .     S
N3907  H3922   1.002   .     S
N3908  C3913   1.432   .     S
N3909  C3910   1.160   .     T
C3910  C3919   1.447   .     S
C3911  C3921   1.493   .     S
C3911  H3923   1.102   .     S
C3911  H3924   1.102   .     S
C3911  H3925   1.098   .     S
C3912  C3913   1.427   .     A
C3912  C3917   1.408   .     A
C3913  C3914   1.411   .     A
C3914  C3915   1.391   .     A
C3914  H3926   1.102   .     S
C3915  C3916   1.385   .     A
C3915  H3927   1.100   .     S
C3916  C3917   1.390   .     A
C3916  H3928   1.099   .     S
C3917  H3929   1.098   .     S
C3918  C3919   1.404   .     A
C3919  C3920   1.443   .     A
C3920  H3930   1.099   .     S
C3920  C3921   1.367   .     A
S3931  C3945   1.737   .     A
S3931  C3948   1.744   .     A
O3932  N3935   1.221   .     D
O3933  N3935   1.221   .     D
N3934  C3939   1.420   .     S
N3934  C3945   1.391   .     S
N3934  H3949   1.002   .     S
N3935  C3940   1.432   .     S
N3936  C3937   1.160   .     T
C3937  C3946   1.447   .     S
C3938  C3948   1.491   .     S
C3938  H3950   1.102   .     S
C3938  H3951   1.100   .     S
C3938  H3952   1.098   .     S
C3939  C3940   1.424   .     A
C3939  C3944   1.407   .     A
C3940  C3941   1.411   .     A
C3941  C3942   1.392   .     A
C3941  H3953   1.103   .     S
C3942  C3943   1.385   .     A
C3942  H3954   1.100   .     S
C3943  C3944   1.391   .     A
C3943  H3955   1.100   .     S
C3944  H3956   1.100   .     S
C3945  C3946   1.407   .     A
C3946  C3947   1.443   .     A
C3947  H3957   1.100   .     S
C3947  C3948   1.366   .     A
S3958  C3972   1.743   .     A
S3958  C3975   1.746   .     A
O3959  N3962   1.221   .     D
O3960  N3962   1.222   .     D
N3961  C3966   1.422   .     S
N3961  C3972   1.394   .     S
N3961  H3976   1.003   .     S
N3962  C3967   1.435   .     S
N3963  C3964   1.160   .     T
C3964  C3973   1.451   .     S
C3965  C3975   1.495   .     S
C3965  H3977   1.104   .     S
C3965  H3978   1.104   .     S
C3965  H3979   1.100   .     S
C3966  C3967   1.429   .     A
C3966  C3971   1.412   .     A
C3967  C3968   1.410   .     A
C3968  C3969   1.392   .     A
C3968  H3980   1.106   .     S
C3969  C3970   1.388   .     A
C3969  H3981   1.100   .     S
C3970  C3971   1.392   .     A
C3970  H3982   1.100   .     S
C3971  H3983   1.104   .     S
C3972  C3973   1.408   .     A
C3973  C3974   1.446   .     A
C3974  H3984   1.101   .     S
C3974  C3975   1.368   .     A
S3985  C3999   1.737   .     A
S3985  C4002   1.743   .     A
O3986  N3989   1.220   .     D
O3987  N3989   1.222   .     D
N3988  C3993   1.414   .     S
N3988  C3999   1.392   .     S
N3988  H4003   1.004   .     S
N3989  C3994   1.430   .     S
N3990  C3991   1.161   .     T
C3991  C4000   1.449   .     S
C3992  C4002   1.493   .     S
C3992  H4004   1.102   .     S
C3992  H4005   1.103   .     S
C3992  H4006   1.098   .     S
C3993  C3994   1.426   .     A
C3993  C3998   1.409   .     A
C3994  C3995   1.410   .     A
C3995  C3996   1.391   .     A
C3995  H4007   1.103   .     S
C3996  C3997   1.387   .     A
C3996  H4008   1.100   .     S
C3997  C3998   1.391   .     A
C3997  H4009   1.100   .     S
C3998  H4010   1.102   .     S
C3999  C4000   1.406   .     A
C4000  C4001   1.445   .     A
C4001  H4011   1.099   .     S
C4001  C4002   1.367   .     A
S4012  C4026   1.738   .     A
S4012  C4029   1.745   .     A
O4013  N4016   1.220   .     D
O4014  N4016   1.220   .     D
N4015  C4020   1.419   .     S
N4015  C4026   1.391   .     S
N4015  H4030   1.001   .     S
N4016  C4021   1.429   .     S
N4017  C4018   1.160   .     T
C4018  C4027   1.450   .     S
C4019  C4029   1.494   .     S
C4019  H4031   1.102   .     S
C4019  H4032   1.103   .     S
C4019  H4033   1.099   .     S
C4020  C4021   1.422   .     A
C4020  C4025   1.408   .     A
C4021  C4022   1.410   .     A
C4022  C4023   1.391   .     A
C4022  H4034   1.104   .     S
C4023  C4024   1.388   .     A
C4023  H4035   1.100   .     S
C4024  C4025   1.391   .     A
C4024  H4036   1.098   .     S
C4025  H4037   1.102   .     S
C4026  C4027   1.407   .     A
C4027  C4028   1.442   .     A
C4028  H4038   1.097   .     S
C4028  C4029   1.367   .     A
S4039  C4053   1.741   .     A
S4039  C4056   1.742   .     A
O4040  N4043   1.220   .     D
O4041  N4043   1.221   .     D
N4042  C4047   1.420   .     S
N4042  C4053   1.394   .     S
N4042  H4057   1.002   .     S
N4043  C4048   1.432   .     S
N4044  C4045   1.162   .     T
C4045  C4054   1.446   .     S
C4046  C4056   1.495   .     S
C4046  H4058   1.102   .     S
C4046  H4059   1.102   .     S
C4046  H4060   1.100   .     S
C4047  C4048   1.428   .     A
C4047  C4052   1.407   .     A
C4048  C4049   1.412   .     A
C4049  C4050   1.390   .     A
C4049  H4061   1.104   .     S
C4050  C4051   1.385   .     A
C4050  H4062   1.099   .     S
C4051  C4052   1.391   .     A
C4051  H4063   1.099   .     S
C4052  H4064   1.100   .     S
C4053  C4054   1.408   .     A
C4054  C4055   1.446   .     A
C4055  H4065   1.101   .     S
C4055  C4056   1.364   .     A
S4066  C4080   1.741   .     A
S4066  C4083   1.746   .     A
O4067  N4070   1.220   .     D
O4068  N4070   1.221   .     D
N4069  C4074   1.416   .     S
N4069  C4080   1.393   .     S
N4069  H4084   0.999   .     S
N4070  C4075   1.430   .     S
N4071  C4072   1.161   .     T
C4072  C4081   1.450   .     S
C4073  C4083   1.495   .     S
C4073  H4085   1.102   .     S
C4073  H4086   1.102   .     S
C4073  H4087   1.098   .     S
C4074  C4075   1.426   .     A
C4074  C4079   1.408   .     A
C4075  C4076   1.411   .     A
C4076  C4077   1.391   .     A
C4076  H4088   1.104   .     S
C4077  C4078   1.386   .     A
C4077  H4089   1.100   .     S
C4078  C4079   1.390   .     A
C4078  H4090   1.099   .     S
C4079  H4091   1.102   .     S
C4080  C4081   1.409   .     A
C4081  C4082   1.445   .     A
C4082  H4092   1.101   .     S
C4082  C4083   1.367   .     A
S4093  C4107   1.736   .     A
S4093  C4110   1.742   .     A
O4094  N4097   1.221   .     D
O4095  N4097   1.219   .     D
N4096  C4101   1.416   .     S
N4096  C4107   1.393   .     S
N4096  H4111   1.002   .     S
N4097  C4102   1.430   .     S
N4098  C4099   1.160   .     T
C4099  C4108   1.446   .     S
C4100  C4110   1.491   .     S
C4100  H4112   1.103   .     S
C4100  H4113   1.103   .     S
C4100  H4114   1.098   .     S
C4101  C4102   1.424   .     A
C4101  C4106   1.408   .     A
C4102  C4103   1.410   .     A
C4103  C4104   1.391   .     A
C4103  H4115   1.105   .     S
C4104  C4105   1.386   .     A
C4104  H4116   1.099   .     S
C4105  C4106   1.391   .     A
C4105  H4117   1.099   .     S
C4106  H4118   1.102   .     S
C4107  C4108   1.407   .     A
C4108  C4109   1.445   .     A
C4109  H4119   1.100   .     S
C4109  C4110   1.367   .     A
S4120  C4134   1.739   .     A
S4120  C4137   1.743   .     A
O4121  N4124   1.221   .     D
O4122  N4124   1.221   .     D
N4123  C4128   1.414   .     S
N4123  C4134   1.397   .     S
N4123  H4138   1.002   .     S
N4124  C4129   1.432   .     S
N4125  C4126   1.163   .     T
C4126  C4135   1.451   .     S
C4127  C4137   1.492   .     S
C4127  H4139   1.102   .     S
C4127  H4140   1.103   .     S
C4127  H4141   1.098   .     S
C4128  C4129   1.425   .     A
C4128  C4133   1.410   .     A
C4129  C4130   1.410   .     A
C4130  C4131   1.391   .     A
C4130  H4142   1.104   .     S
C4131  C4132   1.386   .     A
C4131  H4143   1.100   .     S
C4132  C4133   1.391   .     A
C4132  H4144   1.099   .     S
C4133  H4145   1.102   .     S
C4134  C4135   1.402   .     A
C4135  C4136   1.446   .     A
C4136  H4146   1.100   .     S
C4136  C4137   1.368   .     A
S4147  C4161   1.738   .     A
S4147  C4164   1.744   .     A
O4148  N4151   1.221   .     D
O4149  N4151   1.221   .     D
N4150  C4155   1.417   .     S
N4150  C4161   1.391   .     S
N4150  H4165   1.003   .     S
N4151  C4156   1.433   .     S
N4152  C4153   1.160   .     T
C4153  C4162   1.447   .     S
C4154  C4164   1.493   .     S
C4154  H4166   1.103   .     S
C4154  H4167   1.101   .     S
C4154  H4168   1.098   .     S
C4155  C4156   1.427   .     A
C4155  C4160   1.409   .     A
C4156  C4157   1.411   .     A
C4157  C4158   1.391   .     A
C4157  H4169   1.104   .     S
C4158  C4159   1.386   .     A
C4158  H4170   1.100   .     S
C4159  C4160   1.391   .     A
C4159  H4171   1.100   .     S
C4160  H4172   1.101   .     S
C4161  C4162   1.407   .     A
C4162  C4163   1.445   .     A
C4163  H4173   1.100   .     S
C4163  C4164   1.366   .     A
S4174  C4188   1.743   .     A
S4174  C4191   1.745   .     A
O4175  N4178   1.220   .     D
O4176  N4178   1.220   .     D
N4177  C4182   1.420   .     S
N4177  C4188   1.399   .     S
N4177  H4192   1.002   .     S
N4178  C4183   1.430   .     S
N4179  C4180   1.161   .     T
C4180  C4189   1.450   .     S
C4181  C4191   1.495   .     S
C4181  H4193   1.103   .     S
C4181  H4194   1.103   .     S
C4181  H4195   1.098   .     S
C4182  C4183   1.427   .     A
C4182  C4187   1.409   .     A
C4183  C4184   1.410   .     A
C4184  C4185   1.390   .     A
C4184  H4196   1.105   .     S
C4185  C4186   1.387   .     A
C4185  H4197   1.100   .     S
C4186  C4187   1.392   .     A
C4186  H4198   1.099   .     S
C4187  H4199   1.101   .     S
C4188  C4189   1.409   .     A
C4189  C4190   1.445   .     A
C4190  H4200   1.100   .     S
C4190  C4191   1.367   .     A
