data_P1\staircase
_audit_creation_date              2019-11-23
_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                    23.6549
_cell_length_b                    23.6549
_cell_length_c                    4.8000
_cell_angle_alpha                 78.0000
_cell_angle_beta                  78.0000
_cell_angle_gamma                 120.0000
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     0.73632   0.37389   0.75607   0.00000  Uiso   1.00
C2     C     0.69558   0.40251   0.76792   0.00000  Uiso   1.00
C3     C     0.72667   0.47594   0.80962   0.00000  Uiso   1.00
C4     C     0.80910   0.41546   0.70001   0.00000  Uiso   1.00
C5     C     0.85114   0.47062   0.86054   0.00000  Uiso   1.00
C6     C     0.91827   0.50608   0.80773   0.00000  Uiso   1.00
C7     C     0.94648   0.48538   0.60610   0.00000  Uiso   1.00
C8     C     0.90544   0.42988   0.44666   0.00000  Uiso   1.00
C9     C     0.83768   0.39749   0.48562   0.00000  Uiso   1.00
N10    N     0.01641   0.52195   0.57385   0.00000  Uiso   1.00
C11    C     0.05224   0.50711   0.41882   0.00000  Uiso   1.00
C12    C     0.12418   0.54929   0.41306   0.00000  Uiso   1.00
C13    C     0.15599   0.60871   0.55883   0.00000  Uiso   1.00
C14    C     0.22410   0.64714   0.55340   0.00000  Uiso   1.00
C15    C     0.26234   0.62716   0.40437   0.00000  Uiso   1.00
C16    C     0.23003   0.56770   0.25820   0.00000  Uiso   1.00
C17    C     0.16192   0.52942   0.26154   0.00000  Uiso   1.00
H18    H     0.76334   0.50297   0.64495   0.00000  Uiso   1.00
H19    H     0.74845   0.48904   1.01957   0.00000  Uiso   1.00
H20    H     0.69271   0.49502   0.81527   0.00000  Uiso   1.00
H21    H     0.83407   0.48480   1.04010   0.00000  Uiso   1.00
H22    H     0.94909   0.54805   0.93613   0.00000  Uiso   1.00
H23    H     0.92444   0.41222   0.28513   0.00000  Uiso   1.00
H24    H     0.80733   0.35634   0.35378   0.00000  Uiso   1.00
H25    H     0.03055   0.46277   0.29684   0.00000  Uiso   1.00
H26    H     0.12835   0.62554   0.67787   0.00000  Uiso   1.00
H27    H     0.24686   0.69260   0.66592   0.00000  Uiso   1.00
H28    H     0.25749   0.55042   0.14319   0.00000  Uiso   1.00
H29    H     0.13870   0.48388   0.14683   0.00000  Uiso   1.00
C30    C     0.62611   0.36242   0.75607   0.00000  Uiso   1.00
C31    C     0.59749   0.29307   0.76792   0.00000  Uiso   1.00
C32    C     0.52406   0.25073   0.80962   0.00000  Uiso   1.00
C33    C     0.58454   0.39364   0.70001   0.00000  Uiso   1.00
C34    C     0.52938   0.38052   0.86054   0.00000  Uiso   1.00
C35    C     0.49392   0.41219   0.80773   0.00000  Uiso   1.00
C36    C     0.51462   0.46110   0.60610   0.00000  Uiso   1.00
C37    C     0.57012   0.47556   0.44666   0.00000  Uiso   1.00
C38    C     0.60251   0.44019   0.48562   0.00000  Uiso   1.00
N39    N     0.47805   0.49446   0.57385   0.00000  Uiso   1.00
C40    C     0.49289   0.54513   0.41882   0.00000  Uiso   1.00
C41    C     0.45071   0.57490   0.41306   0.00000  Uiso   1.00
C42    C     0.39129   0.54727   0.55883   0.00000  Uiso   1.00
C43    C     0.35286   0.57696   0.55340   0.00000  Uiso   1.00
C44    C     0.37284   0.63518   0.40437   0.00000  Uiso   1.00
C45    C     0.43230   0.66233   0.25820   0.00000  Uiso   1.00
C46    C     0.47058   0.63250   0.26154   0.00000  Uiso   1.00
H47    H     0.49703   0.26038   0.64495   0.00000  Uiso   1.00
H48    H     0.51096   0.25940   1.01957   0.00000  Uiso   1.00
H49    H     0.50498   0.19769   0.81527   0.00000  Uiso   1.00
H50    H     0.51520   0.34927   1.04010   0.00000  Uiso   1.00
H51    H     0.45195   0.40104   0.93613   0.00000  Uiso   1.00
H52    H     0.58778   0.51222   0.28513   0.00000  Uiso   1.00
H53    H     0.64366   0.45099   0.35378   0.00000  Uiso   1.00
H54    H     0.53723   0.56778   0.29684   0.00000  Uiso   1.00
H55    H     0.37446   0.50281   0.67787   0.00000  Uiso   1.00
H56    H     0.30740   0.55426   0.66592   0.00000  Uiso   1.00
H57    H     0.44958   0.70707   0.14319   0.00000  Uiso   1.00
H58    H     0.51612   0.65481   0.14683   0.00000  Uiso   1.00
C59    C     0.63758   0.26368   0.75607   0.00000  Uiso   1.00
C60    C     0.70693   0.30442   0.76792   0.00000  Uiso   1.00
C61    C     0.74927   0.27333   0.80962   0.00000  Uiso   1.00
C62    C     0.60636   0.19090   0.70001   0.00000  Uiso   1.00
C63    C     0.61948   0.14886   0.86054   0.00000  Uiso   1.00
C64    C     0.58781   0.08173   0.80773   0.00000  Uiso   1.00
C65    C     0.53890   0.05352   0.60610   0.00000  Uiso   1.00
C66    C     0.52444   0.09456   0.44666   0.00000  Uiso   1.00
C67    C     0.55981   0.16232   0.48562   0.00000  Uiso   1.00
N68    N     0.50554   0.98359   0.57385   0.00000  Uiso   1.00
C69    C     0.45487   0.94776   0.41882   0.00000  Uiso   1.00
C70    C     0.42510   0.87582   0.41306   0.00000  Uiso   1.00
C71    C     0.45273   0.84401   0.55883   0.00000  Uiso   1.00
C72    C     0.42304   0.77590   0.55340   0.00000  Uiso   1.00
C73    C     0.36482   0.73766   0.40437   0.00000  Uiso   1.00
C74    C     0.33767   0.76997   0.25820   0.00000  Uiso   1.00
C75    C     0.36750   0.83808   0.26154   0.00000  Uiso   1.00
H76    H     0.73962   0.23666   0.64495   0.00000  Uiso   1.00
H77    H     0.74060   0.25155   1.01957   0.00000  Uiso   1.00
H78    H     0.80231   0.30729   0.81527   0.00000  Uiso   1.00
H79    H     0.65073   0.16593   1.04010   0.00000  Uiso   1.00
H80    H     0.59896   0.05091   0.93613   0.00000  Uiso   1.00
H81    H     0.48778   0.07556   0.28513   0.00000  Uiso   1.00
H82    H     0.54901   0.19267   0.35378   0.00000  Uiso   1.00
H83    H     0.43222   0.96945   0.29684   0.00000  Uiso   1.00
H84    H     0.49719   0.87165   0.67787   0.00000  Uiso   1.00
H85    H     0.44574   0.75314   0.66592   0.00000  Uiso   1.00
H86    H     0.29293   0.74251   0.14319   0.00000  Uiso   1.00
H87    H     0.34519   0.86130   0.14683   0.00000  Uiso   1.00
N88    N     0.33333   0.66667   0.40289   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      1.427   .     D
C1     C4      1.417   .     S
C1     C60     1.410   .     S
C2     C3      1.590   .     S
C2     C30     1.451   .     S
C3     H18     0.858   .     S
C3     H19     1.250   .     S
C3     H20     1.099   .     S
C4     C5      1.651   .     D
C4     C9      1.370   .     S
C5     C6      1.305   .     S
C5     H21     1.063   .     S
C6     C7      1.370   .     D
C6     H22     1.271   .     S
C7     C8      1.644   .     S
C7     N10     1.384   1_655 S
C8     C9      1.334   .     D
C8     H23     1.075   .     S
C9     H24     1.269   .     S
N10    C11     1.241   .     D
N10    C7      1.384   1_455 S
C11    C12     1.471   .     S
C11    H25     1.244   .     S
C12    C13     1.613   .     D
C12    C17     1.356   .     S
C13    C14     1.390   .     S
C13    H26     1.054   .     S
C14    C15     1.361   .     D
C14    H27     1.234   .     S
C15    C16     1.616   .     S
C15    N88     1.455   .     S
C16    C17     1.393   .     D
C16    H28     1.051   .     S
C17    H29     1.243   .     S
C30    C31     1.410   .     D
C30    C33     1.529   .     S
C31    C32     1.447   .     S
C31    C59     1.428   .     S
C32    H47     1.169   .     S
C32    H48     1.083   .     S
C32    H49     1.092   .     S
C33    C34     1.212   .     D
C33    C38     1.154   .     S
C34    C35     1.402   .     S
C34    H50     0.877   .     S
C35    C36     1.134   .     D
C35    H51     0.923   .     S
C36    C37     1.204   .     S
C36    N39     1.443   .     S
C37    C38     1.399   .     D
C37    H52     0.867   .     S
C38    H53     0.917   .     S
N39    C40     1.102   .     D
C40    C41     1.483   .     S
C40    H54     0.884   .     S
C41    C42     1.173   .     D
C41    C46     1.188   .     S
C42    C43     1.400   .     S
C42    H55     0.910   .     S
C43    C44     1.196   .     D
C43    H56     0.893   .     S
C44    C45     1.176   .     S
C44    N88     1.458   .     S
C45    C46     1.399   .     D
C45    H57     0.907   .     S
C46    H58     0.898   .     S
C59    C60     1.451   .     D
C59    C62     1.608   .     S
C60    C61     1.531   .     S
C61    H76     1.262   .     S
C61    H77     0.957   .     S
C61    H78     1.111   .     S
C62    C63     1.330   .     D
C62    C67     1.657   .     S
C63    C64     1.485   .     S
C63    H79     1.250   .     S
C64    C65     1.638   .     D
C64    H80     1.027   .     S
C65    C66     1.333   .     S
C65    N68     1.495   1_545 S
C66    C67     1.467   .     D
C66    H81     1.261   .     S
C67    H82     1.021   .     S
N68    C69     1.525   .     D
N68    C65     1.495   1_565 S
C69    C70     1.491   .     S
C69    H83     1.083   .     S
C70    C71     1.395   .     D
C70    C75     1.627   .     S
C71    C72     1.408   .     S
C71    H84     1.256   .     S
C72    C73     1.631   .     D
C72    H85     1.077   .     S
C73    C74     1.394   .     S
C73    N88     1.460   .     S
C74    C75     1.404   .     D
C74    H86     1.246   .     S
C75    H87     1.081   .     S
