data_COF-792-fjh
_audit_creation_date              2020-02-25
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'IBA2'
_symmetry_Int_Tables_number       45
_symmetry_cell_setting            orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x,-y,z
  x+1/2,-y+1/2,z
  -x+1/2,y+1/2,z
  x+1/2,y+1/2,z+1/2
  -x+1/2,-y+1/2,z+1/2
  x,-y,z+1/2
  -x,y,z+1/2
_cell_length_a                    65.0345
_cell_length_b                    68.8227
_cell_length_c                    28.5044
_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     0.48466   0.51463   0.77446   0.00000  Uiso   1.00
C2     C     0.51158   0.54050   0.76980   0.00000  Uiso   1.00
C3     C     0.45703   0.48923   0.77537   0.00000  Uiso   1.00
C4     C     0.55312   0.51313   0.81835   0.00000  Uiso   1.00
C5     C     0.57453   0.51490   0.81961   0.00000  Uiso   1.00
C6     C     0.58604   0.51409   0.77811   0.00000  Uiso   1.00
C7     C     0.57564   0.51307   0.73476   0.00000  Uiso   1.00
C8     C     0.55424   0.51134   0.73352   0.00000  Uiso   1.00
C9     C     0.51371   0.54898   0.72539   0.00000  Uiso   1.00
C10    C     0.51597   0.56909   0.72097   0.00000  Uiso   1.00
C11    C     0.51624   0.58099   0.76122   0.00000  Uiso   1.00
C12    C     0.51486   0.57230   0.80558   0.00000  Uiso   1.00
C13    C     0.51261   0.55218   0.80994   0.00000  Uiso   1.00
N14    N     0.60809   0.51352   0.78155   0.00000  Uiso   1.00
C15    C     0.62032   0.50639   0.74984   0.00000  Uiso   1.00
C16    C     0.64276   0.50550   0.75725   0.00000  Uiso   1.00
C17    C     0.65201   0.51237   0.79870   0.00000  Uiso   1.00
C18    C     0.67331   0.51100   0.80479   0.00000  Uiso   1.00
C19    C     0.68559   0.50275   0.76958   0.00000  Uiso   1.00
C20    C     0.67641   0.49593   0.72832   0.00000  Uiso   1.00
C21    C     0.65516   0.49726   0.72224   0.00000  Uiso   1.00
C22    C     0.70830   0.50199   0.77419   0.00000  Uiso   1.00
C23    C     0.71770   0.48674   0.79947   0.00000  Uiso   1.00
C24    C     0.73934   0.48455   0.79781   0.00000  Uiso   1.00
C25    C     0.75141   0.49728   0.76993   0.00000  Uiso   1.00
C26    C     0.74206   0.51356   0.74754   0.00000  Uiso   1.00
C27    C     0.72038   0.51610   0.75105   0.00000  Uiso   1.00
N28    N     0.51621   0.60186   0.75869   0.00000  Uiso   1.00
C29    C     0.52031   0.61242   0.72206   0.00000  Uiso   1.00
C30    C     0.51863   0.63380   0.72423   0.00000  Uiso   1.00
C31    C     0.51017   0.64316   0.76364   0.00000  Uiso   1.00
C32    C     0.50890   0.66341   0.76522   0.00000  Uiso   1.00
C33    C     0.51620   0.67460   0.72765   0.00000  Uiso   1.00
C34    C     0.52439   0.66534   0.68803   0.00000  Uiso   1.00
C35    C     0.52549   0.64506   0.68624   0.00000  Uiso   1.00
C36    C     0.51657   0.69606   0.73134   0.00000  Uiso   1.00
C37    C     0.53178   0.70512   0.75942   0.00000  Uiso   1.00
C38    C     0.53175   0.72555   0.76454   0.00000  Uiso   1.00
C39    C     0.51722   0.73708   0.74045   0.00000  Uiso   1.00
C40    C     0.50236   0.72801   0.71147   0.00000  Uiso   1.00
C41    C     0.50178   0.70750   0.70736   0.00000  Uiso   1.00
C42    C     0.35082   0.86884   0.50352   0.00000  Uiso   1.00
C43    C     0.35423   0.86975   0.55239   0.00000  Uiso   1.00
C44    C     0.34244   0.88404   0.58061   0.00000  Uiso   1.00
C45    C     0.33691   0.88321   0.48099   0.00000  Uiso   1.00
C46    C     0.38074   0.82342   0.47169   0.00000  Uiso   1.00
C47    C     0.39125   0.82837   0.56813   0.00000  Uiso   1.00
C48    C     0.32146   0.88091   0.58895   0.00000  Uiso   1.00
C49    C     0.30982   0.89488   0.61251   0.00000  Uiso   1.00
C50    C     0.31908   0.91212   0.62841   0.00000  Uiso   1.00
C51    C     0.34015   0.91501   0.62110   0.00000  Uiso   1.00
C52    C     0.35172   0.90122   0.59657   0.00000  Uiso   1.00
C53    C     0.34331   0.90252   0.47524   0.00000  Uiso   1.00
C54    C     0.33018   0.91614   0.45462   0.00000  Uiso   1.00
C55    C     0.31063   0.91064   0.43880   0.00000  Uiso   1.00
C56    C     0.30406   0.89133   0.44550   0.00000  Uiso   1.00
C57    C     0.31712   0.87776   0.46657   0.00000  Uiso   1.00
C58    C     0.37069   0.80565   0.47874   0.00000  Uiso   1.00
C59    C     0.37754   0.78895   0.45586   0.00000  Uiso   1.00
C60    C     0.39450   0.78965   0.42568   0.00000  Uiso   1.00
C61    C     0.40455   0.80757   0.41831   0.00000  Uiso   1.00
C62    C     0.39766   0.82433   0.44124   0.00000  Uiso   1.00
C63    C     0.41155   0.82640   0.55183   0.00000  Uiso   1.00
C64    C     0.42469   0.81246   0.57097   0.00000  Uiso   1.00
C65    C     0.41773   0.79996   0.60670   0.00000  Uiso   1.00
C66    C     0.39760   0.80206   0.62349   0.00000  Uiso   1.00
C67    C     0.38440   0.81600   0.60423   0.00000  Uiso   1.00
N68    N     0.30747   0.92669   0.65277   0.00000  Uiso   1.00
N69    N     0.29787   0.92511   0.41700   0.00000  Uiso   1.00
N70    N     0.43090   0.78569   0.62814   0.00000  Uiso   1.00
N71    N     0.40094   0.77178   0.40413   0.00000  Uiso   1.00
C72    C     0.28865   0.93120   0.64222   0.00000  Uiso   1.00
C73    C     0.27727   0.94589   0.66939   0.00000  Uiso   1.00
C74    C     0.28280   0.92167   0.38823   0.00000  Uiso   1.00
C75    C     0.27109   0.93780   0.36690   0.00000  Uiso   1.00
C76    C     0.44738   0.77838   0.60923   0.00000  Uiso   1.00
C77    C     0.46062   0.76467   0.63527   0.00000  Uiso   1.00
C78    C     0.41627   0.76917   0.37564   0.00000  Uiso   1.00
C79    C     0.42061   0.74918   0.35755   0.00000  Uiso   1.00
C80    C     0.28316   0.95093   0.71520   0.00000  Uiso   1.00
C81    C     0.27158   0.96429   0.74101   0.00000  Uiso   1.00
C82    C     0.25405   0.97313   0.72127   0.00000  Uiso   1.00
C83    C     0.24856   0.96830   0.67490   0.00000  Uiso   1.00
C84    C     0.25990   0.95466   0.64954   0.00000  Uiso   1.00
C85    C     0.45591   0.75876   0.68130   0.00000  Uiso   1.00
C86    C     0.46928   0.74648   0.70581   0.00000  Uiso   1.00
C87    C     0.48750   0.73999   0.68469   0.00000  Uiso   1.00
C88    C     0.49208   0.74560   0.63863   0.00000  Uiso   1.00
C89    C     0.47872   0.75782   0.61407   0.00000  Uiso   1.00
C90    C     0.55853   0.74265   0.87447   0.00000  Uiso   1.00
C91    C     0.54364   0.73565   0.84376   0.00000  Uiso   1.00
C92    C     0.54722   0.73482   0.79546   0.00000  Uiso   1.00
C93    C     0.56562   0.74169   0.77631   0.00000  Uiso   1.00
C94    C     0.58121   0.74897   0.80481   0.00000  Uiso   1.00
C95    C     0.27322   0.95701   0.38302   0.00000  Uiso   1.00
C96    C     0.26248   0.97213   0.36127   0.00000  Uiso   1.00
C97    C     0.24955   0.96830   0.32299   0.00000  Uiso   1.00
C98    C     0.24731   0.94913   0.30703   0.00000  Uiso   1.00
C99    C     0.25786   0.93398   0.32908   0.00000  Uiso   1.00
H100   H     0.54456   0.51269   0.85093   0.00000  Uiso   1.00
H101   H     0.58225   0.51595   0.85316   0.00000  Uiso   1.00
H102   H     0.58392   0.51323   0.70189   0.00000  Uiso   1.00
H103   H     0.54653   0.50964   0.70010   0.00000  Uiso   1.00
H104   H     0.51269   0.54009   0.69411   0.00000  Uiso   1.00
H105   H     0.51656   0.57515   0.68606   0.00000  Uiso   1.00
H106   H     0.51490   0.58124   0.83683   0.00000  Uiso   1.00
H107   H     0.51080   0.54580   0.84443   0.00000  Uiso   1.00
H108   H     0.61417   0.49995   0.71817   0.00000  Uiso   1.00
H109   H     0.64281   0.51879   0.82632   0.00000  Uiso   1.00
H110   H     0.68027   0.51654   0.83661   0.00000  Uiso   1.00
H111   H     0.68575   0.48967   0.70072   0.00000  Uiso   1.00
H112   H     0.64840   0.49186   0.69005   0.00000  Uiso   1.00
C113   C     0.70426   0.47307   0.82787   0.00000  Uiso   1.00
C114   C     0.77383   0.49210   0.76098   0.00000  Uiso   1.00
C115   C     0.70984   0.53445   0.73346   0.00000  Uiso   1.00
H116   H     0.52527   0.60583   0.68954   0.00000  Uiso   1.00
H117   H     0.50461   0.63487   0.79333   0.00000  Uiso   1.00
H118   H     0.50266   0.67042   0.79612   0.00000  Uiso   1.00
H119   H     0.53018   0.67385   0.65892   0.00000  Uiso   1.00
H120   H     0.53200   0.63817   0.65546   0.00000  Uiso   1.00
C121   C     0.54843   0.69336   0.78388   0.00000  Uiso   1.00
C122   C     0.51800   0.75900   0.74619   0.00000  Uiso   1.00
C123   C     0.48510   0.69822   0.67762   0.00000  Uiso   1.00
H124   H     0.31409   0.86776   0.57661   0.00000  Uiso   1.00
H125   H     0.29367   0.89213   0.61873   0.00000  Uiso   1.00
H126   H     0.34747   0.92819   0.63337   0.00000  Uiso   1.00
H127   H     0.36782   0.90401   0.58958   0.00000  Uiso   1.00
H128   H     0.35845   0.90700   0.48678   0.00000  Uiso   1.00
H129   H     0.33534   0.93099   0.45031   0.00000  Uiso   1.00
H130   H     0.28880   0.88674   0.43533   0.00000  Uiso   1.00
H131   H     0.31181   0.86300   0.47182   0.00000  Uiso   1.00
H132   H     0.35766   0.80473   0.50233   0.00000  Uiso   1.00
H133   H     0.36969   0.77530   0.46197   0.00000  Uiso   1.00
H134   H     0.41768   0.80884   0.39535   0.00000  Uiso   1.00
H135   H     0.40559   0.83798   0.43570   0.00000  Uiso   1.00
H136   H     0.41741   0.83602   0.52488   0.00000  Uiso   1.00
H137   H     0.44035   0.81186   0.55833   0.00000  Uiso   1.00
H138   H     0.39207   0.79271   0.65131   0.00000  Uiso   1.00
H139   H     0.36874   0.81697   0.61704   0.00000  Uiso   1.00
H140   H     0.28127   0.92469   0.61194   0.00000  Uiso   1.00
H141   H     0.27937   0.90697   0.37721   0.00000  Uiso   1.00
H142   H     0.45180   0.78227   0.57385   0.00000  Uiso   1.00
H143   H     0.42614   0.78100   0.36486   0.00000  Uiso   1.00
H144   H     0.29641   0.94420   0.73147   0.00000  Uiso   1.00
H145   H     0.27605   0.96740   0.77684   0.00000  Uiso   1.00
H146   H     0.23552   0.97520   0.65812   0.00000  Uiso   1.00
H147   H     0.25517   0.95106   0.61414   0.00000  Uiso   1.00
H148   H     0.44207   0.76380   0.69854   0.00000  Uiso   1.00
H149   H     0.46563   0.74228   0.74147   0.00000  Uiso   1.00
H150   H     0.50615   0.74072   0.62203   0.00000  Uiso   1.00
H151   H     0.48269   0.76217   0.57869   0.00000  Uiso   1.00
H152   H     0.55530   0.74271   0.91175   0.00000  Uiso   1.00
H153   H     0.52920   0.73042   0.85790   0.00000  Uiso   1.00
H154   H     0.56806   0.74106   0.73875   0.00000  Uiso   1.00
H155   H     0.59539   0.75385   0.78871   0.00000  Uiso   1.00
H156   H     0.28326   0.96038   0.41221   0.00000  Uiso   1.00
H157   H     0.26445   0.98687   0.37380   0.00000  Uiso   1.00
H158   H     0.23754   0.94598   0.27720   0.00000  Uiso   1.00
H159   H     0.25600   0.91930   0.31602   0.00000  Uiso   1.00
H160   H     0.71296   0.46239   0.84900   0.00000  Uiso   1.00
H161   H     0.69387   0.46493   0.80402   0.00000  Uiso   1.00
H162   H     0.69485   0.48155   0.85309   0.00000  Uiso   1.00
H163   H     0.78000   0.49876   0.72848   0.00000  Uiso   1.00
H164   H     0.77561   0.47621   0.75560   0.00000  Uiso   1.00
H165   H     0.78339   0.49664   0.79136   0.00000  Uiso   1.00
H166   H     0.69783   0.53931   0.75863   0.00000  Uiso   1.00
H167   H     0.70251   0.53162   0.69891   0.00000  Uiso   1.00
H168   H     0.72055   0.54694   0.73052   0.00000  Uiso   1.00
H169   H     0.56381   0.69898   0.77379   0.00000  Uiso   1.00
H170   H     0.54840   0.67772   0.77493   0.00000  Uiso   1.00
H171   H     0.54660   0.69461   0.82248   0.00000  Uiso   1.00
H172   H     0.51608   0.76282   0.78378   0.00000  Uiso   1.00
H173   H     0.50596   0.76688   0.72639   0.00000  Uiso   1.00
H174   H     0.53308   0.76453   0.73378   0.00000  Uiso   1.00
H175   H     0.48519   0.68213   0.67840   0.00000  Uiso   1.00
H176   H     0.48692   0.70281   0.64052   0.00000  Uiso   1.00
H177   H     0.46976   0.70293   0.69042   0.00000  Uiso   1.00
C178   C     0.50572   0.51977   0.77364   0.00000  Uiso   1.00
C179   C     0.52100   0.50524   0.77454   0.00000  Uiso   1.00
C180   C     0.46856   0.53064   0.77474   0.00000  Uiso   1.00
C181   C     0.86065   0.64552   0.47613   0.00000  Uiso   1.00
C182   C     0.87377   0.65919   0.49813   0.00000  Uiso   1.00
C183   C     0.87784   0.65797   0.54715   0.00000  Uiso   1.00
C184   C     0.86811   0.64324   0.57433   0.00000  Uiso   1.00
C185   C     0.85647   0.64621   0.42372   0.00000  Uiso   1.00
C186   C     0.87277   0.64052   0.62619   0.00000  Uiso   1.00
H187   H     0.40903   0.73884   0.37174   0.00000  Uiso   1.00
H188   H     0.45251   0.52533   0.77582   0.00000  Uiso   1.00
H189   H     0.47015   0.53966   0.74266   0.00000  Uiso   1.00
H190   H     0.47075   0.53998   0.80609   0.00000  Uiso   1.00
H191   H     0.86004   0.63188   0.40779   0.00000  Uiso   1.00
H192   H     0.86569   0.65714   0.40459   0.00000  Uiso   1.00
H193   H     0.84006   0.64972   0.41741   0.00000  Uiso   1.00
H194   H     0.88546   0.64970   0.63941   0.00000  Uiso   1.00
H195   H     0.87779   0.62538   0.63289   0.00000  Uiso   1.00
H196   H     0.85876   0.64360   0.64718   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     C178    1.415   .     A
C1     C180    1.520   .     S
C1     C179    1.417   2_665 A
C2     C9      1.401   .     A
C2     C13     1.400   .     A
C2     C178    1.481   .     S
C3     C4      1.401   2_665 A
C3     C8      1.400   2_665 A
C3     C179    1.479   2_665 S
C4     C5      1.398   .     A
C4     H100    1.083   .     S
C4     C3      1.401   2_665 A
C5     C6      1.401   .     A
C5     H101    1.083   .     S
C6     C7      1.410   .     A
C6     N14     1.438   .     S
C7     C8      1.397   .     A
C7     H102    1.081   .     S
C8     H103    1.083   .     S
C8     C3      1.400   2_665 A
C9     C10     1.397   .     A
C9     H104    1.083   .     S
C10    C11     1.410   .     A
C10    H105    1.080   .     S
C11    C12     1.402   .     A
C11    N28     1.438   .     S
C12    C13     1.398   .     A
C12    H106    1.083   .     S
C13    H107    1.083   .     S
N14    C15     1.300   .     D
C15    C16     1.476   .     S
C15    H108    1.082   .     S
C16    C17     1.407   .     A
C16    C21     1.403   .     A
C17    C18     1.400   .     A
C17    H109    1.082   .     S
C18    C19     1.403   .     A
C18    H110    1.083   .     S
C19    C20     1.400   .     A
C19    C22     1.484   .     S
C20    C21     1.395   .     A
C20    H111    1.083   .     S
C21    H112    1.083   .     S
C22    C23     1.412   .     A
C22    C27     1.412   .     A
C23    C24     1.416   .     A
C23    C113    1.518   .     S
C24    C25     1.419   .     A
C24    C97     1.486   5_545 S
C25    C26     1.426   .     A
C25    C114    1.523   .     S
C26    C27     1.424   .     A
C26    C82     1.417   3_565 A
C27    C115    1.522   .     S
N28    C29     1.300   .     D
C29    C30     1.477   .     S
C29    H116    1.081   .     S
C30    C31     1.407   .     A
C30    C35     1.404   .     A
C31    C32     1.397   .     A
C31    H117    1.083   .     S
C32    C33     1.402   .     A
C32    H118    1.083   .     S
C33    C34     1.402   .     A
C33    C36     1.481   .     S
C34    C35     1.398   .     A
C34    H119    1.083   .     S
C35    H120    1.083   .     S
C36    C37     1.417   .     A
C36    C41     1.418   .     A
C37    C38     1.413   .     A
C37    C121    1.521   .     S
C38    C39     1.412   .     A
C38    C92     1.482   .     S
C39    C40     1.417   .     A
C39    C122    1.519   .     S
C40    C41     1.416   .     A
C40    C87     1.482   .     S
C41    C123    1.518   .     S
C42    C43     1.412   .     A
C42    C45     1.486   .     S
C42    C181    1.412   3_465 A
C43    C44     1.484   .     S
C43    C184    1.416   3_465 A
C44    C48     1.402   .     A
C44    C52     1.403   .     A
C45    C53     1.402   .     A
C45    C57     1.402   .     A
C46    C58     1.401   .     A
C46    C62     1.403   .     A
C46    C182    1.485   3_465 S
C47    C63     1.406   .     A
C47    C67     1.408   .     A
C47    C183    1.415   3_465 A
C48    C49     1.396   .     A
C48    H124    1.083   .     S
C49    C50     1.406   .     A
C49    H125    1.082   .     S
C50    C51     1.400   .     A
C50    N68     1.434   .     S
C51    C52     1.398   .     A
C51    H126    1.083   .     S
C52    H127    1.083   .     S
C53    C54     1.398   .     A
C53    H128    1.083   .     S
C54    C55     1.401   .     A
C54    H129    1.083   .     S
C55    C56     1.409   .     A
C55    N69     1.437   .     S
C56    C57     1.398   .     A
C56    H130    1.081   .     S
C57    H131    1.083   .     S
C58    C59     1.395   .     A
C58    H132    1.084   .     S
C59    C60     1.400   .     A
C59    H133    1.083   .     S
C60    C61     1.411   .     A
C60    N71     1.437   .     S
C61    C62     1.400   .     A
C61    H134    1.079   .     S
C62    H135    1.083   .     S
C63    C64     1.396   .     A
C63    H136    1.083   .     S
C64    C65     1.408   .     A
C64    H137    1.081   .     S
C65    C66     1.401   .     A
C65    N70     1.439   .     S
C66    C67     1.400   .     A
C66    H138    1.083   .     S
C67    H139    1.084   .     S
N68    C72     1.298   .     D
N69    C74     1.300   .     D
N70    C76     1.301   .     D
N71    C78     1.298   .     D
C72    C73     1.473   .     S
C72    H140    1.085   .     S
C73    C80     1.404   .     A
C73    C84     1.400   .     A
C74    C75     1.477   .     S
C74    H141    1.083   .     S
C75    C95     1.407   .     A
C75    C99     1.404   .     A
C76    C77     1.478   .     S
C76    H142    1.082   .     S
C77    C85     1.407   .     A
C77    C89     1.404   .     A
C78    C79     1.496   .     S
C78    H143    1.081   .     S
C79    C90     1.508   8_654 S
C79    C94     1.508   8_654 S
C79    H187    1.112   .     S
C80    C81     1.398   .     A
C80    H144    1.083   .     S
C81    C82     1.409   .     A
C81    H145    1.083   .     S
C82    C83     1.409   .     A
C82    C26     1.417   3_465 A
C83    C84     1.396   .     A
C83    H146    1.083   .     S
C84    H147    1.083   .     S
C85    C86     1.400   .     A
C85    H148    1.083   .     S
C86    C87     1.402   .     A
C86    H149    1.083   .     S
C87    C88     1.401   .     A
C88    C89     1.397   .     A
C88    H150    1.083   .     S
C89    H151    1.083   .     S
C90    C91     1.392   .     A
C90    H152    1.083   .     S
C90    C79     1.508   8_655 S
C91    C92     1.397   .     A
C91    H153    1.083   .     S
C92    C93     1.398   .     A
C93    C94     1.392   .     A
C93    H154    1.083   .     S
C94    H155    1.083   .     S
C94    C79     1.508   8_655 S
C95    C96     1.398   .     A
C95    H156    1.083   .     S
C96    C97     1.402   .     A
C96    H157    1.083   .     S
C97    C98     1.403   .     A
C97    C24     1.486   5_454 S
C98    C99     1.398   .     A
C98    H158    1.083   .     S
C99    H159    1.083   .     S
C113   H160    1.106   .     S
C113   H161    1.110   .     S
C113   H162    1.110   .     S
C114   H163    1.108   .     S
C114   H164    1.111   .     S
C114   H165    1.110   .     S
C115   H166    1.112   .     S
C115   H167    1.111   .     S
C115   H168    1.110   .     S
C121   H169    1.110   .     S
C121   H170    1.107   .     S
C121   H171    1.110   .     S
C122   H172    1.110   .     S
C122   H173    1.107   .     S
C122   H174    1.110   .     S
C123   H175    1.107   .     S
C123   H176    1.110   .     S
C123   H177    1.110   .     S
C178   C179    1.410   .     A
C179   C1      1.417   2_665 A
C179   C3      1.479   2_665 S
C180   H188    1.107   .     S
C180   H189    1.110   .     S
C180   H190    1.110   .     S
C181   C182    1.417   .     A
C181   C185    1.519   .     S
C181   C42     1.412   3_565 A
C182   C183    1.425   .     A
C182   C46     1.485   3_565 S
C183   C184    1.424   .     A
C183   C47     1.415   3_565 A
C184   C186    1.521   .     S
C184   C43     1.416   3_565 A
C185   H191    1.111   .     S
C185   H192    1.106   .     S
C185   H193    1.109   .     S
C186   H194    1.106   .     S
C186   H195    1.108   .     S
C186   H196    1.110   .     S
