data_Optimized-NUD-3-SDA1-Conf2
_audit_creation_date              2020-11-20
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P1'
_symmetry_Int_Tables_number       1
_symmetry_cell_setting            triclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
_cell_length_a                    13.0069
_cell_length_b                    19.6795
_cell_length_c                    19.6077
_cell_angle_alpha                 89.9087
_cell_angle_beta                  90.0853
_cell_angle_gamma                 90.2099
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
Si1    Si   -0.38287   0.12836  -0.75464   0.04370  Uiso   1.00
Si2    Si   -0.61706  -0.13270  -0.24452   0.04370  Uiso   1.00
Si3    Si   -0.38079  -0.13311  -0.24478   0.04370  Uiso   1.00
Si4    Si   -0.62117   0.12862  -0.75556   0.04370  Uiso   1.00
Si5    Si   -0.38971  -0.25878  -0.63819   0.04370  Uiso   1.00
Si6    Si   -0.61580   0.25598  -0.36923   0.04370  Uiso   1.00
Si7    Si   -0.37808   0.25565  -0.36668   0.04370  Uiso   1.00
Si8    Si   -0.62223  -0.25917  -0.62971   0.04370  Uiso   1.00
Si9    Si   -0.62309  -0.24188  -0.35371   0.04370  Uiso   1.00
Si10   Si   -0.37779   0.23868  -0.64361   0.04370  Uiso   1.00
Si11   Si   -0.60654   0.23768  -0.65243   0.04370  Uiso   1.00
Si12   Si   -0.38812  -0.24181  -0.35407   0.04370  Uiso   1.00
Si13   Si   -0.61462  -0.14847  -0.74085   0.04370  Uiso   1.00
Si14   Si   -0.38927   0.14714  -0.25665   0.04370  Uiso   1.00
Si15   Si   -0.62101   0.14744  -0.25738   0.04370  Uiso   1.00
Si16   Si   -0.37647  -0.15093  -0.74235   0.04370  Uiso   1.00
Si17   Si   -0.50152   0.00312  -0.61119   0.04370  Uiso   1.00
Si18   Si   -0.50061  -0.00627  -0.38832   0.04370  Uiso   1.00
Si19   Si   -0.51260  -0.11350  -0.49659   0.04370  Uiso   1.00
Si20   Si   -0.48913   0.11001  -0.50288   0.04370  Uiso   1.00
Si21   Si   -0.11852   0.00146  -0.60884   0.04370  Uiso   1.00
Si22   Si   -0.88251  -0.00421  -0.38997   0.04370  Uiso   1.00
Si23   Si   -0.11770   0.00113  -0.38788   0.04370  Uiso   1.00
Si24   Si   -0.88467  -0.00454  -0.61079   0.04370  Uiso   1.00
Si25   Si   -0.12765  -0.10939  -0.49804   0.04370  Uiso   1.00
Si26   Si   -0.87360   0.10515  -0.50099   0.04370  Uiso   1.00
Si27   Si   -0.10826   0.11078  -0.49941   0.04370  Uiso   1.00
Si28   Si   -0.89249  -0.11455  -0.50049   0.04370  Uiso   1.00
Si29   Si   -0.30520  -0.00858  -0.70991   0.04370  Uiso   1.00
Si30   Si   -0.69586   0.00483  -0.28956   0.04370  Uiso   1.00
Si31   Si   -0.30469   0.00453  -0.28940   0.04370  Uiso   1.00
Si32   Si   -0.69835  -0.00727  -0.70969   0.04370  Uiso   1.00
Si33   Si   -0.31616  -0.21139  -0.49908   0.04370  Uiso   1.00
Si34   Si   -0.68519   0.20709  -0.50580   0.04370  Uiso   1.00
Si35   Si   -0.29367   0.20787  -0.50084   0.04370  Uiso   1.00
Si36   Si   -0.70720  -0.21233  -0.49717   0.04370  Uiso   1.00
O37    O    -0.31758   0.05712  -0.76072   0.06560  Uiso   1.00
O38    O    -0.68167  -0.06036  -0.23861   0.06560  Uiso   1.00
O39    O    -0.31126  -0.06226  -0.23919   0.06560  Uiso   1.00
O40    O    -0.69072   0.05788  -0.76182   0.06560  Uiso   1.00
O41    O    -0.32044  -0.26304  -0.56382   0.06560  Uiso   1.00
O42    O    -0.68230   0.26097  -0.44134   0.06560  Uiso   1.00
O43    O    -0.30704   0.25990  -0.43647   0.06560  Uiso   1.00
O44    O    -0.69579  -0.26479  -0.56166   0.06560  Uiso   1.00
O45    O    -0.69507  -0.24826  -0.42276   0.06560  Uiso   1.00
O46    O    -0.30273   0.24330  -0.57614   0.06560  Uiso   1.00
O47    O    -0.67967   0.24193  -0.58051   0.06560  Uiso   1.00
O48    O    -0.31946  -0.24919  -0.42462   0.06560  Uiso   1.00
O49    O    -0.68553  -0.07994  -0.74907   0.06560  Uiso   1.00
O50    O    -0.31735   0.07720  -0.25043   0.06560  Uiso   1.00
O51    O    -0.69739   0.07915  -0.25172   0.06560  Uiso   1.00
O52    O    -0.30532  -0.08104  -0.75027   0.06560  Uiso   1.00
O53    O    -0.19156   0.00037  -0.67671   0.06560  Uiso   1.00
O54    O    -0.81005  -0.00674  -0.32199   0.06560  Uiso   1.00
O55    O    -0.18773   0.00455  -0.31914   0.06560  Uiso   1.00
O56    O    -0.81500  -0.00769  -0.68025   0.06560  Uiso   1.00
O57    O    -0.20301  -0.17517  -0.49996   0.06560  Uiso   1.00
O58    O    -0.79821   0.17137  -0.50061   0.06560  Uiso   1.00
O59    O    -0.17542   0.18091  -0.49800   0.06560  Uiso   1.00
O60    O    -0.82521  -0.18452  -0.50010   0.06560  Uiso   1.00
O61    O    -0.39324  -0.00208  -0.34688   0.06560  Uiso   1.00
O62    O    -0.60865  -0.00045  -0.65330   0.06560  Uiso   1.00
O63    O    -0.39900  -0.00964  -0.65596   0.06560  Uiso   1.00
O64    O    -0.60366   0.00754  -0.34459   0.06560  Uiso   1.00
O65    O    -0.38036   0.14907  -0.49233   0.06560  Uiso   1.00
O66    O    -0.62069  -0.15346  -0.50743   0.06560  Uiso   1.00
O67    O    -0.40977  -0.15793  -0.50611   0.06560  Uiso   1.00
O68    O    -0.59058   0.15566  -0.49212   0.06560  Uiso   1.00
O69    O    -0.34785   0.16831  -0.68489   0.06560  Uiso   1.00
O70    O    -0.65528  -0.17098  -0.31458   0.06560  Uiso   1.00
O71    O    -0.34934  -0.17192  -0.31571   0.06560  Uiso   1.00
O72    O    -0.65434   0.16568  -0.68431   0.06560  Uiso   1.00
O73    O    -0.33946  -0.18669  -0.67011   0.06560  Uiso   1.00
O74    O    -0.65231   0.18614  -0.32936   0.06560  Uiso   1.00
O75    O    -0.34882   0.18475  -0.32685   0.06560  Uiso   1.00
O76    O    -0.64874  -0.18856  -0.67126   0.06560  Uiso   1.00
O77    O    -0.49537  -0.12271  -0.74190   0.06560  Uiso   1.00
O78    O    -0.50547   0.11463  -0.25723   0.06560  Uiso   1.00
O79    O    -0.50576  -0.24142  -0.38320   0.06560  Uiso   1.00
O80    O    -0.49409   0.23871  -0.61268   0.06560  Uiso   1.00
O81    O    -0.50448  -0.26045  -0.60112   0.06560  Uiso   1.00
O82    O    -0.49644   0.25858  -0.39477   0.06560  Uiso   1.00
O83    O    -0.50214   0.10215  -0.75777   0.06560  Uiso   1.00
O84    O    -0.49854  -0.10440  -0.24271   0.06560  Uiso   1.00
O85    O    -0.15273  -0.06646  -0.56715   0.06560  Uiso   1.00
O86    O    -0.84697   0.06406  -0.43084   0.06560  Uiso   1.00
O87    O    -0.14163   0.07030  -0.43050   0.06560  Uiso   1.00
O88    O    -0.86080  -0.07516  -0.57042   0.06560  Uiso   1.00
O89    O    -0.15098  -0.06825  -0.42779   0.06560  Uiso   1.00
O90    O    -0.84733   0.06369  -0.57067   0.06560  Uiso   1.00
O91    O    -0.14166   0.07321  -0.57048   0.06560  Uiso   1.00
O92    O    -0.86050  -0.07520  -0.43026   0.06560  Uiso   1.00
O93    O    -0.35375  -0.31050  -0.31226   0.06560  Uiso   1.00
O94    O    -0.65260  -0.17382  -0.17589   0.06560  Uiso   1.00
O95    O    -0.34570  -0.17495  -0.17607   0.06560  Uiso   1.00
O96    O    -0.65382  -0.31014  -0.31130   0.06560  Uiso   1.00
O97    O    -0.35448   0.18620  -0.18648   0.06560  Uiso   1.00
O98    O    -0.65075   0.32434  -0.32784   0.06560  Uiso   1.00
O99    O    -0.34584   0.32396  -0.32456   0.06560  Uiso   1.00
O100   O    -0.65435   0.18873  -0.18875   0.06560  Uiso   1.00
O101   O    -0.00219  -0.00087  -0.64077   0.06560  Uiso   1.00
O102   O     0.00068  -0.00081  -0.35917   0.06560  Uiso   1.00
O103   O    -0.01159  -0.14183  -0.49952   0.06560  Uiso   1.00
O104   O     0.01085   0.13831  -0.49968   0.06560  Uiso   1.00
O105   O    -0.51167  -0.08200  -0.42015   0.06560  Uiso   1.00
O106   O    -0.49134   0.07889  -0.57953   0.06560  Uiso   1.00
O107   O    -0.49447   0.05019  -0.44728   0.06560  Uiso   1.00
O108   O    -0.50844  -0.05406  -0.55305   0.06560  Uiso   1.00
Si109  Si   -0.38312   0.64537  -1.24389   0.04370  Uiso   1.00
Si110  Si   -0.62018   0.35137  -0.75582   0.04370  Uiso   1.00
Si111  Si   -0.37868   0.35115  -0.75471   0.04370  Uiso   1.00
Si112  Si   -0.62318   0.64600  -1.24367   0.04370  Uiso   1.00
Si113  Si   -0.38343   0.25597  -1.14501   0.04370  Uiso   1.00
Si114  Si   -0.61845   0.73956  -0.85343   0.04370  Uiso   1.00
Si115  Si   -0.37576   0.73858  -0.85313   0.04370  Uiso   1.00
Si116  Si   -0.62299   0.25731  -1.14614   0.04370  Uiso   1.00
Si117  Si   -0.62192   0.24035  -0.86588   0.04370  Uiso   1.00
Si118  Si   -0.38040   0.75639  -1.13405   0.04370  Uiso   1.00
Si119  Si   -0.62085   0.75744  -1.13366   0.04370  Uiso   1.00
Si120  Si   -0.37899   0.24011  -0.86565   0.04370  Uiso   1.00
Si121  Si   -0.62032   0.36651  -1.25845   0.04370  Uiso   1.00
Si122  Si   -0.37819   0.62955  -0.74102   0.04370  Uiso   1.00
Si123  Si   -0.62080   0.62942  -0.74187   0.04370  Uiso   1.00
Si124  Si   -0.37875   0.36622  -1.25616   0.04370  Uiso   1.00
Si125  Si   -0.49840   0.49331  -1.11206   0.04370  Uiso   1.00
Si126  Si   -0.50179   0.50452  -0.88756   0.04370  Uiso   1.00
Si127  Si   -0.50225   0.38673  -1.00123   0.04370  Uiso   1.00
Si128  Si   -0.49804   0.61070  -0.99858   0.04370  Uiso   1.00
Si129  Si   -0.11449   0.49917  -1.11135   0.04370  Uiso   1.00
Si130  Si   -0.88475   0.49922  -0.88794   0.04370  Uiso   1.00
Si131  Si   -0.11948   0.50073  -0.89049   0.04370  Uiso   1.00
Si132  Si   -0.87963   0.49632  -1.10847   0.04370  Uiso   1.00
Si133  Si   -0.11981   0.38984  -1.00003   0.04370  Uiso   1.00
Si134  Si   -0.87965   0.60748  -0.99987   0.04370  Uiso   1.00
Si135  Si   -0.11383   0.60931  -1.00171   0.04370  Uiso   1.00
Si136  Si   -0.88456   0.38772  -0.99667   0.04370  Uiso   1.00
Si137  Si   -0.30143   0.50398  -1.20967   0.04370  Uiso   1.00
Si138  Si   -0.69863   0.49380  -0.78906   0.04370  Uiso   1.00
Si139  Si   -0.30438   0.49370  -0.78815   0.04370  Uiso   1.00
Si140  Si   -0.69548   0.50242  -1.21204   0.04370  Uiso   1.00
Si141  Si   -0.30596   0.28821  -1.00119   0.04370  Uiso   1.00
Si142  Si   -0.69406   0.71003  -0.99813   0.04370  Uiso   1.00
Si143  Si   -0.30029   0.70701  -0.99936   0.04370  Uiso   1.00
Si144  Si   -0.69928   0.28863  -1.00104   0.04370  Uiso   1.00
O145   O    -0.31467   0.57609  -1.25126   0.06560  Uiso   1.00
O146   O    -0.68720   0.42104  -0.74935   0.06560  Uiso   1.00
O147   O    -0.30978   0.42037  -0.74868   0.06560  Uiso   1.00
O148   O    -0.69239   0.57646  -1.25029   0.06560  Uiso   1.00
O149   O    -0.31771   0.24901  -1.07414   0.06560  Uiso   1.00
O150   O    -0.68266   0.74915  -0.92433   0.06560  Uiso   1.00
O151   O    -0.31284   0.74349  -0.92494   0.06560  Uiso   1.00
O152   O    -0.69074   0.25244  -1.07586   0.06560  Uiso   1.00
O153   O    -0.68438   0.23305  -0.93842   0.06560  Uiso   1.00
O154   O    -0.31405   0.76201  -1.06247   0.06560  Uiso   1.00
O155   O    -0.68708   0.76339  -1.06255   0.06560  Uiso   1.00
O156   O    -0.31386   0.23443  -0.93667   0.06560  Uiso   1.00
O157   O    -0.68334   0.43866  -1.26632   0.06560  Uiso   1.00
O158   O    -0.31639   0.55706  -0.73411   0.06560  Uiso   1.00
O159   O    -0.68442   0.55808  -0.73644   0.06560  Uiso   1.00
O160   O    -0.31606   0.43830  -1.26017   0.06560  Uiso   1.00
O161   O    -0.18584   0.50042  -1.18022   0.06560  Uiso   1.00
O162   O    -0.81362   0.49920  -0.81906   0.06560  Uiso   1.00
O163   O    -0.19248   0.50070  -0.82246   0.06560  Uiso   1.00
O164   O    -0.80634   0.49362  -1.17649   0.06560  Uiso   1.00
O165   O    -0.19332   0.32222  -0.99908   0.06560  Uiso   1.00
O166   O    -0.80588   0.67517  -1.00016   0.06560  Uiso   1.00
O167   O    -0.18447   0.67844  -1.00339   0.06560  Uiso   1.00
O168   O    -0.81390   0.31891  -0.99379   0.06560  Uiso   1.00
O169   O    -0.39976   0.49730  -0.84114   0.06560  Uiso   1.00
O170   O    -0.59821   0.49962  -1.16063   0.06560  Uiso   1.00
O171   O    -0.38978   0.50165  -1.15126   0.06560  Uiso   1.00
O172   O    -0.60878   0.49819  -0.84621   0.06560  Uiso   1.00
O173   O    -0.38958   0.65009  -1.00968   0.06560  Uiso   1.00
O174   O    -0.60847   0.34460  -0.99113   0.06560  Uiso   1.00
O175   O    -0.39987   0.34133  -0.99108   0.06560  Uiso   1.00
O176   O    -0.59803   0.65851  -1.00727   0.06560  Uiso   1.00
O177   O    -0.35008   0.68685  -1.17473   0.06560  Uiso   1.00
O178   O    -0.65264   0.30958  -0.82516   0.06560  Uiso   1.00
O179   O    -0.34839   0.30875  -0.82362   0.06560  Uiso   1.00
O180   O    -0.65260   0.68777  -1.17410   0.06560  Uiso   1.00
O181   O    -0.34864   0.32422  -1.18694   0.06560  Uiso   1.00
O182   O    -0.65163   0.67140  -0.81123   0.06560  Uiso   1.00
O183   O    -0.34391   0.67004  -0.81057   0.06560  Uiso   1.00
O184   O    -0.65450   0.32564  -1.18952   0.06560  Uiso   1.00
O185   O    -0.49960   0.38766  -1.25814   0.06560  Uiso   1.00
O186   O    -0.49973   0.60896  -0.74168   0.06560  Uiso   1.00
O187   O    -0.50045   0.23894  -0.88532   0.06560  Uiso   1.00
O188   O    -0.50023   0.75869  -1.11040   0.06560  Uiso   1.00
O189   O    -0.50346   0.25839  -1.12121   0.06560  Uiso   1.00
O190   O    -0.49733   0.73882  -0.87288   0.06560  Uiso   1.00
O191   O    -0.50319   0.62169  -1.24308   0.06560  Uiso   1.00
O192   O    -0.49910   0.37373  -0.75676   0.06560  Uiso   1.00
O193   O    -0.14890   0.43095  -1.06966   0.06560  Uiso   1.00
O194   O    -0.84973   0.56698  -0.93008   0.06560  Uiso   1.00
O195   O    -0.14927   0.56954  -0.93247   0.06560  Uiso   1.00
O196   O    -0.84993   0.42801  -1.06568   0.06560  Uiso   1.00
O197   O    -0.14946   0.43102  -0.93075   0.06560  Uiso   1.00
O198   O    -0.84899   0.56671  -1.06938   0.06560  Uiso   1.00
O199   O    -0.14205   0.56976  -1.07213   0.06560  Uiso   1.00
O200   O    -0.85798   0.42829  -0.92663   0.06560  Uiso   1.00
O201   O    -0.34982   0.17192  -0.82190   0.06560  Uiso   1.00
O202   O    -0.65048   0.30864  -0.68690   0.06560  Uiso   1.00
O203   O    -0.34841   0.30654  -0.68725   0.06560  Uiso   1.00
O204   O    -0.65451   0.17108  -0.82405   0.06560  Uiso   1.00
O205   O    -0.34495   0.66918  -0.67068   0.06560  Uiso   1.00
O206   O    -0.64577   0.80694  -0.80795   0.06560  Uiso   1.00
O207   O    -0.34469   0.80762  -0.81134   0.06560  Uiso   1.00
O208   O    -0.65217   0.67379  -0.67460   0.06560  Uiso   1.00
O209   O     0.00368   0.49629  -1.13962   0.06560  Uiso   1.00
O210   O    -0.00278   0.50190  -0.85955   0.06560  Uiso   1.00
O211   O    -0.00284   0.35952  -0.99983   0.06560  Uiso   1.00
O212   O     0.00388   0.63871  -0.99972   0.06560  Uiso   1.00
O213   O    -0.49912   0.44601  -0.94479   0.06560  Uiso   1.00
O214   O    -0.50621   0.55160  -1.05484   0.06560  Uiso   1.00
O215   O    -0.49893   0.57963  -0.92195   0.06560  Uiso   1.00
O216   O    -0.50111   0.41820  -1.07775   0.06560  Uiso   1.00
C217   C    -1.01868  -0.16402  -0.89324   0.05450  Uiso   0.17
C218   C    -0.97223  -0.10422  -0.86869   0.05450  Uiso   0.17
C219   C    -0.90408  -0.06831  -0.91150   0.05450  Uiso   0.17
C220   C    -0.88356  -0.09414  -0.97691   0.05450  Uiso   0.17
C221   C    -0.92670  -0.15496  -0.99925   0.05450  Uiso   0.17
C222   C    -0.99559  -0.19017  -0.95726   0.05450  Uiso   0.17
C223   C    -0.99956  -0.08204  -0.79685   0.05450  Uiso   0.17
C224   C    -0.85070  -0.00292  -0.89110   0.05450  Uiso   0.17
N225   N    -0.99181  -0.13894  -0.74818   0.05450  Uiso   0.17
N226   N    -0.73876  -0.00597  -0.90309   0.05450  Uiso   0.17
C227   C    -0.90416  -0.17627  -0.73562   0.05450  Uiso   0.17
C228   C    -0.92805  -0.22214  -0.68572   0.05450  Uiso   0.17
N229   N    -1.02987  -0.21204  -0.66906   0.05450  Uiso   0.17
C230   C    -1.06734  -0.16112  -0.70715   0.05450  Uiso   0.17
C231   C    -0.67860   0.04796  -0.91647   0.05450  Uiso   0.17
N232   N    -0.58097   0.02677  -0.91722   0.05450  Uiso   0.17
C233   C    -0.57888  -0.04213  -0.90363   0.05450  Uiso   0.17
C234   C    -0.67829  -0.06276  -0.89538   0.05450  Uiso   0.17
C235   C    -1.09042  -0.25223  -0.62106   0.05450  Uiso   0.17
C236   C    -0.49039   0.06994  -0.92670   0.05450  Uiso   0.17
H237   H    -1.07311  -0.19135  -0.86077   0.05450  Uiso   0.17
H238   H    -0.82990  -0.06681  -1.00997   0.05450  Uiso   0.17
H239   H    -0.90481  -0.17597  -1.04858   0.05450  Uiso   0.17
H240   H    -1.02936  -0.23824  -0.97382   0.05450  Uiso   0.17
H241   H    -1.07946  -0.06408  -0.79412   0.05450  Uiso   0.17
H242   H    -0.94973  -0.04140  -0.77710   0.05450  Uiso   0.17
H243   H    -0.86126   0.00966  -0.83700   0.05450  Uiso   0.17
H244   H    -0.87963   0.04031  -0.92116   0.05450  Uiso   0.17
H245   H    -0.83325  -0.16689  -0.76289   0.05450  Uiso   0.17
H246   H    -0.88156  -0.26027  -0.66039   0.05450  Uiso   0.17
H247   H    -1.14497  -0.14097  -0.70469   0.05450  Uiso   0.17
H248   H    -0.70353   0.10025  -0.92259   0.05450  Uiso   0.17
H249   H    -0.50764  -0.07022  -0.89970   0.05450  Uiso   0.17
H250   H    -0.70989  -0.11247  -0.88436   0.05450  Uiso   0.17
H251   H    -1.16754  -0.23064  -0.61743   0.05450  Uiso   0.17
H252   H    -1.05355  -0.24990  -0.57078   0.05450  Uiso   0.17
H253   H    -1.09612  -0.30478  -0.63962   0.05450  Uiso   0.17
H254   H    -0.44929   0.05493  -0.97310   0.05450  Uiso   0.17
H255   H    -0.44023   0.06447  -0.88207   0.05450  Uiso   0.17
H256   H    -0.51436   0.12304  -0.93119   0.05450  Uiso   0.17
C257   C     0.01091   0.15869  -1.10426   0.05450  Uiso   0.17
C258   C    -0.03099   0.09613  -1.12521   0.05450  Uiso   0.17
C259   C    -0.09887   0.06158  -1.08116   0.05450  Uiso   0.17
C260   C    -0.12328   0.09116  -1.01801   0.05450  Uiso   0.17
C261   C    -0.08397   0.15419  -0.99903   0.05450  Uiso   0.17
C262   C    -0.01568   0.18827  -1.04237   0.05450  Uiso   0.17
C263   C     0.00061   0.06918  -1.19463   0.05450  Uiso   0.17
C264   C    -0.14933  -0.00568  -1.09834   0.05450  Uiso   0.17
N265   N    -0.00546   0.12212  -1.24716   0.05450  Uiso   0.17
N266   N    -0.26204  -0.00286  -1.09004   0.05450  Uiso   0.17
C267   C    -0.09487   0.15324  -1.26822   0.05450  Uiso   0.17
C268   C    -0.06785   0.19949  -1.31691   0.05450  Uiso   0.17
N269   N     0.03758   0.19578  -1.32415   0.05450  Uiso   0.17
C270   C     0.07424   0.14832  -1.28171   0.05450  Uiso   0.17
C271   C    -0.32267  -0.05642  -1.07586   0.05450  Uiso   0.17
N272   N    -0.42038  -0.03607  -1.08116   0.05450  Uiso   0.17
C273   C    -0.42216   0.03158  -1.09981   0.05450  Uiso   0.17
C274   C    -0.32241   0.05259  -1.10497   0.05450  Uiso   0.17
C275   C     0.09927   0.23698  -1.37052   0.05450  Uiso   0.17
C276   C    -0.51116  -0.07857  -1.07006   0.05450  Uiso   0.17
H277   H     0.06431   0.18560  -1.13784   0.05450  Uiso   0.17
H278   H    -0.17708   0.06485  -0.98420   0.05450  Uiso   0.17
H279   H    -0.10867   0.17777  -0.95148   0.05450  Uiso   0.17
H280   H     0.01495   0.23807  -1.02843   0.05450  Uiso   0.17
H281   H     0.08071   0.05149  -1.19414   0.05450  Uiso   0.17
H282   H    -0.04796   0.02723  -1.21280   0.05450  Uiso   0.17
H283   H    -0.13557  -0.02142  -1.15124   0.05450  Uiso   0.17
H284   H    -0.12176  -0.04658  -1.06459   0.05450  Uiso   0.17
H285   H    -0.16925   0.13890  -1.24805   0.05450  Uiso   0.17
H286   H    -0.11442   0.23318  -1.34790   0.05450  Uiso   0.17
H287   H     0.15380   0.13232  -1.27690   0.05450  Uiso   0.17
H288   H    -0.29791  -0.10781  -1.06401   0.05450  Uiso   0.17
H289   H    -0.49328   0.05837  -1.10966   0.05450  Uiso   0.17
H290   H    -0.29085   0.10174  -1.11858   0.05450  Uiso   0.17
H291   H     0.17396   0.21282  -1.37735   0.05450  Uiso   0.17
H292   H     0.05988   0.23868  -1.41991   0.05450  Uiso   0.17
H293   H     0.10979   0.28837  -1.34975   0.05450  Uiso   0.17
H294   H    -0.55875  -0.05597  -1.03000   0.05450  Uiso   0.17
H295   H    -0.55547  -0.08201  -1.11748   0.05450  Uiso   0.17
H296   H    -0.48720  -0.12960  -1.05456   0.05450  Uiso   0.17
C297   C    -1.02410   0.37778  -1.66324   0.05450  Uiso   0.17
C298   C    -0.97840   0.35765  -1.60147   0.05450  Uiso   0.17
C299   C    -0.91748   0.40496  -1.56568   0.05450  Uiso   0.17
C300   C    -0.90343   0.47035  -1.59314   0.05450  Uiso   0.17
C301   C    -0.94682   0.48889  -1.65530   0.05450  Uiso   0.17
C302   C    -1.00822   0.44222  -1.69065   0.05450  Uiso   0.17
C303   C    -0.99797   0.28576  -1.57612   0.05450  Uiso   0.17
C304   C    -0.86483   0.38959  -1.49864   0.05450  Uiso   0.17
N305   N    -0.98718   0.23592  -1.63111   0.05450  Uiso   0.17
N306   N    -0.75271   0.40121  -1.50239   0.05450  Uiso   0.17
C307   C    -0.89485   0.21568  -1.65861   0.05450  Uiso   0.17
C308   C    -0.91768   0.17148  -1.71004   0.05450  Uiso   0.17
N309   N    -1.02354   0.16615  -1.71310   0.05450  Uiso   0.17
C310   C    -1.06461   0.20556  -1.66462   0.05450  Uiso   0.17
C311   C    -0.69314   0.41837  -1.44914   0.05450  Uiso   0.17
N312   N    -0.59540   0.41857  -1.47026   0.05450  Uiso   0.17
C313   C    -0.59268   0.40062  -1.53833   0.05450  Uiso   0.17
C314   C    -0.69188   0.39005  -1.55860   0.05450  Uiso   0.17
C315   C    -1.08090   0.12387  -1.76107   0.05450  Uiso   0.17
C316   C    -0.50567   0.43037  -1.42691   0.05450  Uiso   0.17
H317   H    -1.07241   0.34181  -1.69116   0.05450  Uiso   0.17
H318   H    -0.85494   0.50652  -1.56556   0.05450  Uiso   0.17
H319   H    -0.93137   0.53899  -1.67699   0.05450  Uiso   0.17
H320   H    -1.04217   0.45592  -1.73967   0.05450  Uiso   0.17
H321   H    -1.07592   0.27924  -1.55540   0.05450  Uiso   0.17
H322   H    -0.94386   0.26971  -1.53636   0.05450  Uiso   0.17
H323   H    -0.87636   0.33691  -1.48174   0.05450  Uiso   0.17
H324   H    -0.89385   0.42307  -1.45810   0.05450  Uiso   0.17
H325   H    -0.82185   0.23261  -1.63772   0.05450  Uiso   0.17
H326   H    -0.86774   0.14253  -1.74322   0.05450  Uiso   0.17
H327   H    -1.14586   0.21096  -1.65327   0.05450  Uiso   0.17
H328   H    -0.71838   0.42841  -1.39738   0.05450  Uiso   0.17
H329   H    -0.52129   0.39588  -1.56626   0.05450  Uiso   0.17
H330   H    -0.72253   0.37472  -1.60763   0.05450  Uiso   0.17
H331   H    -1.15770   0.11374  -1.74083   0.05450  Uiso   0.17
H332   H    -1.04082   0.07520  -1.76619   0.05450  Uiso   0.17
H333   H    -1.08642   0.14974  -1.81062   0.05450  Uiso   0.17
H334   H    -0.45133   0.46353  -1.45379   0.05450  Uiso   0.17
H335   H    -0.46901   0.38160  -1.41547   0.05450  Uiso   0.17
H336   H    -0.52975   0.45444  -1.37922   0.05450  Uiso   0.17
C337   C     0.01765  -0.37922  -0.33171   0.05450  Uiso   0.17
C338   C    -0.03402  -0.35996  -0.39159   0.05450  Uiso   0.17
C339   C    -0.08255  -0.41074  -0.43076   0.05450  Uiso   0.17
C340   C    -0.08230  -0.47817  -0.40720   0.05450  Uiso   0.17
C341   C    -0.03471  -0.49591  -0.34610   0.05450  Uiso   0.17
C342   C     0.01724  -0.44614  -0.30855   0.05450  Uiso   0.17
C343   C    -0.03709  -0.28511  -0.41141   0.05450  Uiso   0.17
C344   C    -0.13622  -0.39640  -0.49756   0.05450  Uiso   0.17
N345   N    -0.03775  -0.24170  -0.35049   0.05450  Uiso   0.17
N346   N    -0.24817  -0.40912  -0.49350   0.05450  Uiso   0.17
C347   C    -0.11357  -0.24214  -0.30136   0.05450  Uiso   0.17
C348   C    -0.08136  -0.20004  -0.25032   0.05450  Uiso   0.17
N349   N     0.01397  -0.17515  -0.26908   0.05450  Uiso   0.17
C350   C     0.03927  -0.20104  -0.32999   0.05450  Uiso   0.17
C351   C    -0.30960  -0.41939  -0.54762   0.05450  Uiso   0.17
N352   N    -0.40682  -0.41938  -0.52564   0.05450  Uiso   0.17
C353   C    -0.40757  -0.40816  -0.45610   0.05450  Uiso   0.17
C354   C    -0.30765  -0.40187  -0.43585   0.05450  Uiso   0.17
C355   C     0.07905  -0.12982  -0.22867   0.05450  Uiso   0.17
C356   C    -0.49821  -0.42757  -0.56831   0.05450  Uiso   0.17
H357   H     0.05794  -0.34092  -0.30152   0.05450  Uiso   0.17
H358   H    -0.12293  -0.51678  -0.43698   0.05450  Uiso   0.17
H359   H    -0.03912  -0.54798  -0.32703   0.05450  Uiso   0.17
H360   H     0.05540  -0.45917  -0.26074   0.05450  Uiso   0.17
H361   H     0.02996  -0.26939  -0.44194   0.05450  Uiso   0.17
H362   H    -0.10662  -0.27198  -0.44046   0.05450  Uiso   0.17
H363   H    -0.12577  -0.34361  -0.51439   0.05450  Uiso   0.17
H364   H    -0.10640  -0.42954  -0.53813   0.05450  Uiso   0.17
H365   H    -0.18279  -0.27251  -0.30630   0.05450  Uiso   0.17
H366   H    -0.11853  -0.18605  -0.20292   0.05450  Uiso   0.17
H367   H     0.10962  -0.19045  -0.35793   0.05450  Uiso   0.17
H368   H    -0.28615  -0.42415  -0.60051   0.05450  Uiso   0.17
H369   H    -0.47826  -0.40468  -0.42720   0.05450  Uiso   0.17
H370   H    -0.27540  -0.39218  -0.38588   0.05450  Uiso   0.17
H371   H     0.14245  -0.11113  -0.26025   0.05450  Uiso   0.17
H372   H     0.03316  -0.08629  -0.21185   0.05450  Uiso   0.17
H373   H     0.11002  -0.15755  -0.18456   0.05450  Uiso   0.17
H374   H    -0.54399  -0.47085  -0.55005   0.05450  Uiso   0.17
H375   H    -0.54382  -0.38095  -0.56571   0.05450  Uiso   0.17
H376   H    -0.47482  -0.43650  -0.62110   0.05450  Uiso   0.17
F377   F     0.00027   0.00067  -0.50145   0.05450  Uiso   1.00
F378   F    -0.49983   0.24410  -0.26046   0.05450  Uiso   1.00
F379   F    -0.50007  -0.23533  -0.25014   0.05450  Uiso   1.00
F380   F     0.00016   0.50061  -0.99991   0.05450  Uiso   1.00
F381   F    -0.47271   0.74539  -0.72442   0.05450  Uiso   1.00
F382   F    -0.51595   0.23389  -0.73782   0.05450  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
Si1    O37     1.646   .     S
Si1    O69     1.642   .     S
Si1    O83     1.634   .     S
Si1    O201    1.629   .     S
Si2    O38     1.660   .     S
Si2    O70     1.643   .     S
Si2    O84     1.637   .     S
Si2    O94     1.636   .     S
Si3    O39     1.663   .     S
Si3    O71     1.641   .     S
Si3    O84     1.635   .     S
Si3    O95     1.643   .     S
Si4    O40     1.662   .     S
Si4    O72     1.636   .     S
Si4    O83     1.636   .     S
Si4    O204    1.639   .     S
Si5    O41     1.715   .     S
Si5    O73     1.680   .     S
Si5    O81     1.662   .     S
Si5    O205    1.663   1_545 S
Si6    O42     1.659   .     S
Si6    O74     1.649   .     S
Si6    O82     1.633   .     S
Si6    O98     1.638   .     S
Si7    O43     1.654   .     S
Si7    O75     1.644   .     S
Si7    O82     1.635   .     S
Si7    O99     1.632   .     S
Si8    O44     1.646   .     S
Si8    O76     1.647   .     S
Si8    O81     1.630   .     S
Si8    O208    1.633   1_545 S
Si9    O45     1.650   .     S
Si9    O70     1.649   .     S
Si9    O79     1.633   .     S
Si9    O96     1.627   .     S
Si10   O46     1.645   .     S
Si10   O69     1.653   .     S
Si10   O80     1.631   .     S
Si10   O203    1.629   .     S
Si11   O47     1.704   .     S
Si11   O72     1.667   .     S
Si11   O80     1.656   .     S
Si11   O202    1.654   .     S
Si12   O48     1.655   .     S
Si12   O71     1.646   .     S
Si12   O79     1.633   .     S
Si12   O93     1.643   .     S
Si13   O49     1.644   .     S
Si13   O76     1.636   .     S
Si13   O77     1.630   .     S
Si13   O206    1.632   1_545 S
Si14   O50     1.671   .     S
Si14   O75     1.648   .     S
Si14   O78     1.639   .     S
Si14   O97     1.639   .     S
Si15   O51     1.672   .     S
Si15   O74     1.654   .     S
Si15   O78     1.638   .     S
Si15   O100    1.633   .     S
Si16   O52     1.662   .     S
Si16   O73     1.652   .     S
Si16   O77     1.645   .     S
Si16   O207    1.635   1_545 S
Si17   O62     1.620   .     S
Si17   O63     1.618   .     S
Si17   O106    1.621   .     S
Si17   O108    1.603   .     S
Si18   O61     1.617   .     S
Si18   O64     1.616   .     S
Si18   O105    1.622   .     S
Si18   O107    1.604   .     S
Si19   O66     1.622   .     S
Si19   O67     1.612   .     S
Si19   O105    1.623   .     S
Si19   O108    1.610   .     S
Si20   O65     1.621   .     S
Si20   O68     1.613   .     S
Si20   O106    1.624   .     S
Si20   O107    1.605   .     S
Si21   O53     1.634   .     S
Si21   O85     1.627   .     S
Si21   O91     1.630   .     S
Si21   O101    1.639   .     S
Si22   O54     1.632   .     S
Si22   O86     1.629   .     S
Si22   O92     1.632   .     S
Si22   O102    1.637   1_455 S
Si23   O55     1.630   .     S
Si23   O87     1.627   .     S
Si23   O89     1.632   .     S
Si23   O102    1.639   .     S
Si24   O56     1.638   .     S
Si24   O88     1.629   .     S
Si24   O90     1.629   .     S
Si24   O101    1.639   1_455 S
Si25   O57     1.621   .     S
Si25   O85     1.629   .     S
Si25   O89     1.629   .     S
Si25   O103    1.641   .     S
Si26   O58     1.628   .     S
Si26   O86     1.632   .     S
Si26   O90     1.630   .     S
Si26   O104    1.641   1_455 S
Si27   O59     1.636   .     S
Si27   O87     1.626   .     S
Si27   O91     1.636   .     S
Si27   O104    1.639   .     S
Si28   O60     1.634   .     S
Si28   O88     1.627   .     S
Si28   O92     1.634   .     S
Si28   O103    1.638   1_455 S
Si29   O37     1.639   .     S
Si29   O52     1.632   .     S
Si29   O53     1.623   .     S
Si29   O63     1.616   .     S
Si30   O38     1.636   .     S
Si30   O51     1.641   .     S
Si30   O54     1.630   .     S
Si30   O64     1.615   .     S
Si31   O39     1.643   .     S
Si31   O50     1.631   .     S
Si31   O55     1.630   .     S
Si31   O61     1.615   .     S
Si32   O40     1.641   .     S
Si32   O49     1.636   .     S
Si32   O56     1.624   .     S
Si32   O62     1.612   .     S
Si33   O41     1.628   .     S
Si33   O48     1.638   .     S
Si33   O57     1.633   .     S
Si33   O67     1.618   .     S
Si34   O42     1.651   .     S
Si34   O47     1.618   .     S
Si34   O58     1.630   .     S
Si34   O68     1.618   .     S
Si35   O43     1.636   .     S
Si35   O46     1.636   .     S
Si35   O59     1.630   .     S
Si35   O65     1.621   .     S
Si36   O44     1.641   .     S
Si36   O45     1.628   .     S
Si36   O60     1.632   .     S
Si36   O66     1.624   .     S
O93    Si109   1.641   1_546 S
O94    Si119   1.639   1_546 S
O95    Si118   1.644   1_546 S
O96    Si112   1.631   1_546 S
O97    Si113   1.642   1_556 S
O98    Si121   1.642   1_556 S
O99    Si124   1.638   1_556 S
O100   Si116   1.638   1_556 S
O101   Si24    1.639   1_655 S
O102   Si22    1.637   1_655 S
O103   Si28    1.638   1_655 S
O104   Si26    1.641   1_655 S
Si109  O145    1.638   .     S
Si109  O177    1.640   .     S
Si109  O191    1.628   .     S
Si109  O93     1.641   1_564 S
Si110  O146    1.633   .     S
Si110  O178    1.644   .     S
Si110  O192    1.634   .     S
Si110  O202    1.638   .     S
Si111  O147    1.632   .     S
Si111  O179    1.639   .     S
Si111  O192    1.630   .     S
Si111  O203    1.635   .     S
Si112  O148    1.641   .     S
Si112  O180    1.640   .     S
Si112  O191    1.634   .     S
Si112  O96     1.631   1_564 S
Si113  O149    1.636   .     S
Si113  O181    1.636   .     S
Si113  O189    1.631   .     S
Si113  O97     1.642   1_554 S
Si114  O150    1.632   .     S
Si114  O182    1.632   .     S
Si114  O190    1.622   .     S
Si114  O206    1.639   .     S
Si115  O151    1.632   .     S
Si115  O183    1.639   .     S
Si115  O190    1.627   .     S
Si115  O207    1.637   .     S
Si116  O152    1.639   .     S
Si116  O184    1.643   .     S
Si116  O189    1.629   .     S
Si116  O100    1.638   1_554 S
Si117  O153    1.643   .     S
Si117  O178    1.631   .     S
Si117  O187    1.626   .     S
Si117  O204    1.644   .     S
Si118  O154    1.650   .     S
Si118  O177    1.635   .     S
Si118  O188    1.628   .     S
Si118  O95     1.644   1_564 S
Si119  O155    1.645   .     S
Si119  O180    1.636   .     S
Si119  O188    1.633   .     S
Si119  O94     1.639   1_564 S
Si120  O156    1.635   .     S
Si120  O179    1.631   .     S
Si120  O187    1.626   .     S
Si120  O201    1.637   .     S
Si121  O157    1.649   .     S
Si121  O184    1.633   .     S
Si121  O185    1.623   .     S
Si121  O98     1.642   1_554 S
Si122  O158    1.645   .     S
Si122  O183    1.640   .     S
Si122  O186    1.631   .     S
Si122  O205    1.642   .     S
Si123  O159    1.630   .     S
Si123  O182    1.640   .     S
Si123  O186    1.627   .     S
Si123  O208    1.636   .     S
Si124  O160    1.636   .     S
Si124  O181    1.636   .     S
Si124  O185    1.629   .     S
Si124  O99     1.638   1_554 S
Si125  O170    1.614   .     S
Si125  O171    1.617   .     S
Si125  O214    1.609   .     S
Si125  O216    1.623   .     S
Si126  O169    1.615   .     S
Si126  O172    1.616   .     S
Si126  O213    1.610   .     S
Si126  O215    1.624   .     S
Si127  O174    1.621   .     S
Si127  O175    1.618   .     S
Si127  O213    1.610   .     S
Si127  O216    1.622   .     S
Si128  O173    1.622   .     S
Si128  O176    1.617   .     S
Si128  O214    1.608   .     S
Si128  O215    1.621   .     S
Si129  O161    1.638   .     S
Si129  O193    1.632   .     S
Si129  O199    1.630   .     S
Si129  O209    1.636   .     S
Si130  O162    1.636   .     S
Si130  O194    1.631   .     S
Si130  O200    1.629   .     S
Si130  O210    1.635   1_455 S
Si131  O163    1.638   .     S
Si131  O195    1.631   .     S
Si131  O197    1.630   .     S
Si131  O210    1.634   .     S
Si132  O164    1.642   .     S
Si132  O196    1.631   .     S
Si132  O198    1.632   .     S
Si132  O209    1.635   1_455 S
Si133  O165    1.636   .     S
Si133  O193    1.631   .     S
Si133  O197    1.630   .     S
Si133  O211    1.636   .     S
Si134  O166    1.639   .     S
Si134  O194    1.630   .     S
Si134  O198    1.633   .     S
Si134  O212    1.637   1_455 S
Si135  O167    1.645   .     S
Si135  O195    1.632   .     S
Si135  O199    1.627   .     S
Si135  O212    1.635   .     S
Si136  O168    1.640   .     S
Si136  O196    1.630   .     S
Si136  O200    1.626   .     S
Si136  O211    1.635   1_455 S
Si137  O145    1.645   .     S
Si137  O160    1.640   .     S
Si137  O161    1.611   .     S
Si137  O171    1.624   .     S
Si138  O146    1.636   .     S
Si138  O159    1.643   .     S
Si138  O162    1.610   .     S
Si138  O172    1.622   .     S
Si139  O147    1.638   .     S
Si139  O158    1.646   .     S
Si139  O163    1.610   .     S
Si139  O169    1.619   .     S
Si140  O148    1.638   .     S
Si140  O157    1.655   .     S
Si140  O164    1.611   .     S
Si140  O170    1.618   .     S
Si141  O149    1.633   .     S
Si141  O156    1.651   .     S
Si141  O165    1.609   .     S
Si141  O175    1.623   .     S
Si142  O150    1.646   .     S
Si142  O155    1.644   .     S
Si142  O166    1.606   .     S
Si142  O176    1.622   .     S
Si143  O151    1.636   .     S
Si143  O154    1.653   .     S
Si143  O167    1.612   .     S
Si143  O173    1.623   .     S
Si144  O152    1.636   .     S
Si144  O153    1.655   .     S
Si144  O168    1.614   .     S
Si144  O174    1.624   .     S
O205   Si5     1.663   1_565 S
O206   Si13    1.632   1_565 S
O207   Si16    1.635   1_565 S
O208   Si8     1.633   1_565 S
O209   Si132   1.635   1_655 S
O210   Si130   1.635   1_655 S
O211   Si136   1.635   1_655 S
O212   Si134   1.637   1_655 S
C217   C218    1.406   .     A
C217   C222    1.391   .     A
C217   H237    1.093   .     S
C218   C219    1.409   .     A
C218   C223    1.518   .     S
C219   C220    1.407   .     A
C219   C224    1.514   .     S
C220   C221    1.391   .     A
C220   H238    1.093   .     S
C221   C222    1.399   .     A
C221   H239    1.091   .     S
C222   H240    1.091   .     S
C223   N225    1.474   .     S
C223   H241    1.100   .     S
C223   H242    1.098   .     S
C224   N226    1.477   .     S
C224   H243    1.099   .     S
C224   H244    1.101   .     S
N225   C227    1.380   .     A
N225   C230    1.342   .     A
N226   C231    1.342   .     A
N226   C234    1.377   .     A
C227   C228    1.365   .     A
C227   H245    1.082   .     S
C228   N229    1.380   .     A
C228   H246    1.085   .     S
N229   C230    1.341   .     A
N229   C235    1.458   .     S
C230   H247    1.087   .     S
C231   N232    1.338   .     A
C231   H248    1.086   .     S
N232   C233    1.382   .     A
N232   C236    1.462   .     S
C233   C234    1.364   .     A
C233   H249    1.083   .     S
C234   H250    1.081   .     S
C235   H251    1.093   .     S
C235   H252    1.097   .     S
C235   H253    1.099   .     S
C236   H254    1.097   .     S
C236   H255    1.096   .     S
C236   H256    1.095   .     S
C257   C258    1.406   .     A
C257   C262    1.391   .     A
C257   H277    1.093   .     S
C258   C259    1.409   .     A
C258   C263    1.519   .     S
C259   C260    1.406   .     A
C259   C264    1.513   .     S
C260   C261    1.391   .     A
C260   H278    1.093   .     S
C261   C262    1.399   .     A
C261   H279    1.091   .     S
C262   H280    1.091   .     S
C263   N265    1.466   .     S
C263   H281    1.100   .     S
C263   H282    1.097   .     S
C264   N266    1.476   .     S
C264   H283    1.098   .     S
C264   H284    1.102   .     S
N265   C267    1.379   .     A
N265   C270    1.340   .     A
N266   C271    1.343   .     A
N266   C274    1.378   .     A
C267   C268    1.364   .     A
C267   H285    1.082   .     S
C268   N269    1.381   .     A
C268   H286    1.084   .     S
N269   C270    1.339   .     A
N269   C275    1.457   .     S
C270   H287    1.087   .     S
C271   N272    1.338   .     A
C271   H288    1.087   .     S
N272   C273    1.380   .     A
N272   C276    1.461   .     S
C273   C274    1.364   .     A
C273   H289    1.083   .     S
C274   H290    1.083   .     S
C275   H291    1.092   .     S
C275   H292    1.095   .     S
C275   H293    1.099   .     S
C276   H294    1.097   .     S
C276   H295    1.095   .     S
C276   H296    1.095   .     S
C297   C298    1.405   .     A
C297   C302    1.391   .     A
C297   H317    1.092   .     S
C298   C299    1.408   .     A
C298   C303    1.520   .     S
C299   C300    1.406   .     A
C299   C304    1.512   .     S
C300   C301    1.391   .     A
C300   H318    1.093   .     S
C301   C302    1.399   .     A
C301   H319    1.091   .     S
C302   H320    1.091   .     S
C303   N305    1.466   .     S
C303   H321    1.100   .     S
C303   H322    1.096   .     S
C304   N306    1.477   .     S
C304   H323    1.098   .     S
C304   H324    1.101   .     S
N305   C307    1.378   .     A
N305   C310    1.341   .     A
N306   C311    1.342   .     A
N306   C314    1.376   .     A
C307   C308    1.364   .     S
C307   H325    1.085   .     S
C308   N309    1.382   .     A
C308   H326    1.084   .     S
N309   C310    1.340   .     A
N309   C315    1.459   .     S
C310   H327    1.086   .     S
C311   N312    1.338   .     A
C311   H328    1.086   .     S
N312   C313    1.382   .     A
N312   C316    1.461   .     S
C313   C314    1.365   .     A
C313   H329    1.083   .     S
C314   H330    1.083   .     S
C315   H331    1.093   .     S
C315   H332    1.097   .     S
C315   H333    1.098   .     S
C316   H334    1.095   .     S
C316   H335    1.096   .     S
C316   H336    1.096   .     S
C337   C338    1.404   .     A
C337   C342    1.392   .     A
C337   H357    1.091   .     S
C338   C339    1.408   .     A
C338   C343    1.523   .     S
C339   C340    1.404   .     A
C339   C344    1.510   .     S
C340   C341    1.392   .     A
C340   H358    1.093   .     S
C341   C342    1.398   .     A
C341   H359    1.091   .     S
C342   H360    1.091   .     S
C343   N345    1.470   .     S
C343   H361    1.102   .     S
C343   H362    1.099   .     S
C344   N346    1.479   .     S
C344   H363    1.098   .     S
C344   H364    1.101   .     S
N345   C347    1.380   .     A
N345   C350    1.341   .     A
N346   C351    1.342   .     A
N346   C354    1.379   .     A
C347   C348    1.365   .     A
C347   H365    1.083   .     S
C348   N349    1.382   .     A
C348   H366    1.085   .     S
N349   C350    1.341   .     A
N349   C355    1.461   .     S
C350   H367    1.087   .     S
C351   N352    1.336   .     A
C351   H368    1.086   .     S
N352   C353    1.382   .     A
N352   C356    1.461   .     S
C353   C354    1.364   .     A
C353   H369    1.083   .     S
C354   H370    1.082   .     S
C355   H371    1.094   .     S
C355   H372    1.097   .     S
C355   H373    1.099   .     S
C356   H374    1.097   .     S
C356   H375    1.096   .     S
C356   H376    1.094   .     S
