# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   30.60428307
_cell_length_b   27.85581975
_cell_length_c   47.35075385
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.10380935
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C2160
_cell_volume   38823.2193889
_cell_formula_units_Z   2160
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  C  C1  1  0.114012  0.413392  0.304833  1
  C  C2  1  0.114013  0.613392  0.304833  1
  C  C3  1  0.114012  0.813392  0.304833  1
  C  C4  1  0.114012  0.013392  0.304833  1
  C  C5  1  0.114012  0.213392  0.304833  1
  C  C6  1  0.614012  0.413392  0.304833  1
  C  C7  1  0.614012  0.613392  0.304833  1
  C  C8  1  0.614012  0.813391  0.304833  1
  C  C9  1  0.614013  0.013392  0.304833  1
  C  C10  1  0.614012  0.213392  0.304833  1
  C  C11  1  0.274969  0.364740  0.322395  1
  C  C12  1  0.274970  0.564740  0.322395  1
  C  C13  1  0.274970  0.764740  0.322394  1
  C  C14  1  0.274969  0.964740  0.322395  1
  C  C15  1  0.274969  0.164740  0.322395  1
  C  C16  1  0.774969  0.364739  0.322395  1
  C  C17  1  0.774970  0.564739  0.322395  1
  C  C18  1  0.774970  0.764739  0.322394  1
  C  C19  1  0.774970  0.964739  0.322395  1
  C  C20  1  0.774970  0.164740  0.322394  1
  C  C21  1  0.952532  0.459838  0.287914  1
  C  C22  1  0.952532  0.659838  0.287914  1
  C  C23  1  0.952532  0.859838  0.287914  1
  C  C24  1  0.952532  0.059838  0.287914  1
  C  C25  1  0.952532  0.259838  0.287914  1
  C  C26  1  0.452532  0.459838  0.287914  1
  C  C27  1  0.452532  0.659838  0.287914  1
  C  C28  1  0.452532  0.859838  0.287914  1
  C  C29  1  0.452532  0.059838  0.287914  1
  C  C30  1  0.452532  0.259838  0.287914  1
  C  C31  1  0.223140  0.433672  0.300173  1
  C  C32  1  0.223140  0.633672  0.300173  1
  C  C33  1  0.223140  0.833672  0.300173  1
  C  C34  1  0.223140  0.033672  0.300173  1
  C  C35  1  0.223140  0.233672  0.300173  1
  C  C36  1  0.723140  0.433672  0.300173  1
  C  C37  1  0.723139  0.633672  0.300173  1
  C  C38  1  0.723139  0.833672  0.300173  1
  C  C39  1  0.723139  0.033672  0.300173  1
  C  C40  1  0.723139  0.233672  0.300173  1
  C  C41  1  0.384985  0.384178  0.315070  1
  C  C42  1  0.384984  0.584178  0.315070  1
  C  C43  1  0.384984  0.784178  0.315070  1
  C  C44  1  0.384985  0.984178  0.315070  1
  C  C45  1  0.384985  0.184178  0.315070  1
  C  C46  1  0.884984  0.384178  0.315070  1
  C  C47  1  0.884984  0.584178  0.315070  1
  C  C48  1  0.884984  0.784178  0.315070  1
  C  C49  1  0.884984  0.984178  0.315070  1
  C  C50  1  0.884984  0.184178  0.315070  1
  C  C51  1  0.061952  0.481987  0.282955  1
  C  C52  1  0.061952  0.681987  0.282954  1
  C  C53  1  0.061952  0.881987  0.282954  1
  C  C54  1  0.061952  0.081987  0.282955  1
  C  C55  1  0.061952  0.281987  0.282954  1
  C  C56  1  0.561952  0.481987  0.282954  1
  C  C57  1  0.561952  0.681987  0.282954  1
  C  C58  1  0.561952  0.881987  0.282954  1
  C  C59  1  0.561952  0.081987  0.282954  1
  C  C60  1  0.561952  0.281987  0.282954  1
  C  C61  1  0.116171  0.466090  0.288807  1
  C  C62  1  0.116171  0.666090  0.288807  1
  C  C63  1  0.116171  0.866090  0.288807  1
  C  C64  1  0.116171  0.066090  0.288807  1
  C  C65  1  0.116171  0.266090  0.288807  1
  C  C66  1  0.616172  0.466090  0.288807  1
  C  C67  1  0.616172  0.666090  0.288807  1
  C  C68  1  0.616172  0.866090  0.288807  1
  C  C69  1  0.616172  0.066090  0.288807  1
  C  C70  1  0.616172  0.266090  0.288807  1
  C  C71  1  0.277049  0.417158  0.306091  1
  C  C72  1  0.277049  0.617158  0.306091  1
  C  C73  1  0.277049  0.817158  0.306091  1
  C  C74  1  0.277049  0.017158  0.306090  1
  C  C75  1  0.277049  0.217158  0.306090  1
  C  C76  1  0.777049  0.417158  0.306090  1
  C  C77  1  0.777049  0.617158  0.306091  1
  C  C78  1  0.777049  0.817158  0.306091  1
  C  C79  1  0.777049  0.017158  0.306091  1
  C  C80  1  0.777049  0.217157  0.306091  1
  C  C81  1  0.941080  0.366507  0.321892  1
  C  C82  1  0.941080  0.566507  0.321892  1
  C  C83  1  0.941080  0.766507  0.321892  1
  C  C84  1  0.941080  0.966507  0.321892  1
  C  C85  1  0.941080  0.166507  0.321892  1
  C  C86  1  0.441080  0.366507  0.321892  1
  C  C87  1  0.441080  0.566507  0.321892  1
  C  C88  1  0.441080  0.766507  0.321892  1
  C  C89  1  0.441080  0.966507  0.321892  1
  C  C90  1  0.441080  0.166507  0.321892  1
  C  C91  1  0.215937  0.382613  0.315718  1
  C  C92  1  0.215937  0.582614  0.315718  1
  C  C93  1  0.215937  0.782614  0.315718  1
  C  C94  1  0.215937  0.982613  0.315718  1
  C  C95  1  0.215937  0.182613  0.315719  1
  C  C96  1  0.715937  0.382613  0.315718  1
  C  C97  1  0.715937  0.582613  0.315718  1
  C  C98  1  0.715937  0.782613  0.315718  1
  C  C99  1  0.715937  0.982613  0.315718  1
  C  C100  1  0.715937  0.182614  0.315718  1
  C  C101  1  0.359777  0.490653  0.265823  1
  C  C102  1  0.359777  0.690653  0.265824  1
  C  C103  1  0.359777  0.890653  0.265823  1
  C  C104  1  0.359778  0.090653  0.265823  1
  C  C105  1  0.359777  0.290653  0.265823  1
  C  C106  1  0.859777  0.490653  0.265824  1
  C  C107  1  0.859777  0.690653  0.265824  1
  C  C108  1  0.859778  0.890653  0.265823  1
  C  C109  1  0.859777  0.090653  0.265824  1
  C  C110  1  0.859778  0.290653  0.265824  1
  C  C111  1  0.055830  0.431377  0.299125  1
  C  C112  1  0.055830  0.631377  0.299125  1
  C  C113  1  0.055830  0.831377  0.299125  1
  C  C114  1  0.055830  0.031377  0.299125  1
  C  C115  1  0.055830  0.231377  0.299125  1
  C  C116  1  0.555830  0.431377  0.299125  1
  C  C117  1  0.555830  0.631377  0.299125  1
  C  C118  1  0.555830  0.831377  0.299125  1
  C  C119  1  0.555830  0.031377  0.299125  1
  C  C120  1  0.555830  0.231377  0.299125  1
  C  C121  1  0.195207  0.488716  0.313543  1
  C  C122  1  0.195207  0.688716  0.313543  1
  C  C123  1  0.195207  0.888716  0.313543  1
  C  C124  1  0.195207  0.088716  0.313543  1
  C  C125  1  0.195207  0.288716  0.313543  1
  C  C126  1  0.695207  0.488716  0.313543  1
  C  C127  1  0.695207  0.688716  0.313543  1
  C  C128  1  0.695207  0.888716  0.313543  1
  C  C129  1  0.695207  0.088716  0.313543  1
  C  C130  1  0.695207  0.288716  0.313543  1
  C  C131  1  0.374066  0.386143  0.278835  1
  C  C132  1  0.374066  0.586143  0.278835  1
  C  C133  1  0.374066  0.786143  0.278835  1
  C  C134  1  0.374066  0.986143  0.278835  1
  C  C135  1  0.374066  0.186143  0.278835  1
  C  C136  1  0.874066  0.386143  0.278835  1
  C  C137  1  0.874066  0.586143  0.278835  1
  C  C138  1  0.874066  0.786143  0.278835  1
  C  C139  1  0.874066  0.986143  0.278835  1
  C  C140  1  0.874066  0.186143  0.278835  1
  C  C141  1  0.033534  0.336766  0.296084  1
  C  C142  1  0.033534  0.536766  0.296084  1
  C  C143  1  0.033534  0.736766  0.296084  1
  C  C144  1  0.033534  0.936766  0.296084  1
  C  C145  1  0.033534  0.136766  0.296084  1
  C  C146  1  0.533534  0.336766  0.296084  1
  C  C147  1  0.533534  0.536766  0.296084  1
  C  C148  1  0.533534  0.736766  0.296084  1
  C  C149  1  0.533534  0.936766  0.296084  1
  C  C150  1  0.533534  0.136766  0.296084  1
  C  C151  1  0.142915  0.357847  0.291956  1
  C  C152  1  0.142915  0.557847  0.291956  1
  C  C153  1  0.142915  0.757847  0.291956  1
  C  C154  1  0.142915  0.957847  0.291956  1
  C  C155  1  0.142915  0.157847  0.291956  1
  C  C156  1  0.642915  0.357847  0.291956  1
  C  C157  1  0.642915  0.557847  0.291956  1
  C  C158  1  0.642915  0.757847  0.291956  1
  C  C159  1  0.642915  0.957847  0.291956  1
  C  C160  1  0.642915  0.157847  0.291956  1
  C  C161  1  0.302825  0.508932  0.309944  1
  C  C162  1  0.302825  0.708931  0.309944  1
  C  C163  1  0.302825  0.908931  0.309944  1
  C  C164  1  0.302825  0.108931  0.309944  1
  C  C165  1  0.302825  0.308931  0.309944  1
  C  C166  1  0.802825  0.508931  0.309944  1
  C  C167  1  0.802825  0.708931  0.309944  1
  C  C168  1  0.802825  0.908931  0.309944  1
  C  C169  1  0.802825  0.108931  0.309944  1
  C  C170  1  0.802825  0.308931  0.309944  1
  C  C171  1  0.965913  0.459265  0.323694  1
  C  C172  1  0.965913  0.659265  0.323694  1
  C  C173  1  0.965913  0.859265  0.323694  1
  C  C174  1  0.965913  0.059265  0.323694  1
  C  C175  1  0.965913  0.259265  0.323694  1
  C  C176  1  0.465913  0.459265  0.323694  1
  C  C177  1  0.465913  0.659265  0.323694  1
  C  C178  1  0.465913  0.859265  0.323694  1
  C  C179  1  0.465913  0.059265  0.323694  1
  C  C180  1  0.465913  0.259265  0.323694  1
  C  C181  1  0.196869  0.341408  0.297416  1
  C  C182  1  0.196870  0.541408  0.297416  1
  C  C183  1  0.196870  0.741408  0.297416  1
  C  C184  1  0.196870  0.941408  0.297416  1
  C  C185  1  0.196869  0.141408  0.297416  1
  C  C186  1  0.696869  0.341408  0.297416  1
  C  C187  1  0.696869  0.541408  0.297416  1
  C  C188  1  0.696869  0.741408  0.297416  1
  C  C189  1  0.696869  0.941408  0.297417  1
  C  C190  1  0.696869  0.141408  0.297416  1
  C  C191  1  0.357371  0.492874  0.313255  1
  C  C192  1  0.357371  0.692874  0.313255  1
  C  C193  1  0.357371  0.892874  0.313255  1
  C  C194  1  0.357371  0.092874  0.313255  1
  C  C195  1  0.357370  0.292874  0.313255  1
  C  C196  1  0.857371  0.492874  0.313255  1
  C  C197  1  0.857371  0.692874  0.313255  1
  C  C198  1  0.857371  0.892874  0.313255  1
  C  C199  1  0.857371  0.092874  0.313255  1
  C  C200  1  0.857371  0.292874  0.313255  1
  C  C201  1  0.044476  0.386032  0.277212  1
  C  C202  1  0.044476  0.586032  0.277212  1
  C  C203  1  0.044477  0.786032  0.277212  1
  C  C204  1  0.044476  0.986032  0.277212  1
  C  C205  1  0.044476  0.186032  0.277212  1
  C  C206  1  0.544476  0.386032  0.277212  1
  C  C207  1  0.544476  0.586032  0.277212  1
  C  C208  1  0.544476  0.786032  0.277212  1
  C  C209  1  0.544476  0.986032  0.277212  1
  C  C210  1  0.544476  0.186032  0.277212  1
  C  C211  1  0.135655  0.506611  0.307127  1
  C  C212  1  0.135655  0.706611  0.307127  1
  C  C213  1  0.135655  0.906611  0.307127  1
  C  C214  1  0.135655  0.106611  0.307127  1
  C  C215  1  0.135655  0.306611  0.307127  1
  C  C216  1  0.635655  0.506611  0.307127  1
  C  C217  1  0.635655  0.706611  0.307127  1
  C  C218  1  0.635655  0.906611  0.307127  1
  C  C219  1  0.635655  0.106611  0.307127  1
  C  C220  1  0.635655  0.306611  0.307127  1
  C  C221  1  0.298338  0.456180  0.324785  1
  C  C222  1  0.298338  0.656181  0.324784  1
  C  C223  1  0.298338  0.856181  0.324785  1
  C  C224  1  0.298338  0.056180  0.324785  1
  C  C225  1  0.298338  0.256180  0.324785  1
  C  C226  1  0.798338  0.456181  0.324785  1
  C  C227  1  0.798338  0.656181  0.324784  1
  C  C228  1  0.798338  0.856181  0.324785  1
  C  C229  1  0.798338  0.056181  0.324784  1
  C  C230  1  0.798338  0.256181  0.324785  1
  C  C231  1  0.975306  0.351264  0.291748  1
  C  C232  1  0.975306  0.551264  0.291748  1
  C  C233  1  0.975306  0.751264  0.291748  1
  C  C234  1  0.975306  0.951264  0.291748  1
  C  C235  1  0.975306  0.151264  0.291748  1
  C  C236  1  0.475306  0.351264  0.291748  1
  C  C237  1  0.475306  0.551264  0.291748  1
  C  C238  1  0.475306  0.751264  0.291748  1
  C  C239  1  0.475306  0.951264  0.291748  1
  C  C240  1  0.475306  0.151264  0.291748  1
  C  C241  1  0.098656  0.467647  0.355297  1
  C  C242  1  0.098656  0.667647  0.355297  1
  C  C243  1  0.098656  0.867647  0.355297  1
  C  C244  1  0.098656  0.067647  0.355297  1
  C  C245  1  0.098656  0.267647  0.355297  1
  C  C246  1  0.598656  0.467647  0.355297  1
  C  C247  1  0.598656  0.667647  0.355297  1
  C  C248  1  0.598656  0.867647  0.355297  1
  C  C249  1  0.598656  0.067647  0.355297  1
  C  C250  1  0.598656  0.267647  0.355297  1
  C  C251  1  0.260985  0.418416  0.372516  1
  C  C252  1  0.260985  0.618416  0.372516  1
  C  C253  1  0.260985  0.818416  0.372516  1
  C  C254  1  0.260985  0.018416  0.372516  1
  C  C255  1  0.260985  0.218416  0.372516  1
  C  C256  1  0.760985  0.418416  0.372516  1
  C  C257  1  0.760985  0.618416  0.372516  1
  C  C258  1  0.760985  0.818416  0.372516  1
  C  C259  1  0.760985  0.018416  0.372516  1
  C  C260  1  0.760985  0.218416  0.372516  1
  C  C261  1  0.936435  0.514135  0.338488  1
  C  C262  1  0.936435  0.714135  0.338488  1
  C  C263  1  0.936435  0.914136  0.338488  1
  C  C264  1  0.936435  0.114135  0.338488  1
  C  C265  1  0.936435  0.314135  0.338488  1
  C  C266  1  0.436435  0.514136  0.338488  1
  C  C267  1  0.436435  0.714135  0.338488  1
  C  C268  1  0.436435  0.914135  0.338488  1
  C  C269  1  0.436435  0.114136  0.338488  1
  C  C270  1  0.436435  0.314136  0.338488  1
  C  C271  1  0.208936  0.487747  0.349045  1
  C  C272  1  0.208936  0.687747  0.349045  1
  C  C273  1  0.208936  0.887747  0.349045  1
  C  C274  1  0.208936  0.087747  0.349045  1
  C  C275  1  0.208936  0.287747  0.349045  1
  C  C276  1  0.708936  0.487747  0.349045  1
  C  C277  1  0.708936  0.687747  0.349045  1
  C  C278  1  0.708936  0.887747  0.349045  1
  C  C279  1  0.708936  0.087747  0.349045  1
  C  C280  1  0.708936  0.287747  0.349045  1
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  C  C1901  1  0.202998  0.835875  0.674597  1
  C  C1902  1  0.202999  0.035874  0.674597  1
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  C  C1909  1  0.702998  0.435874  0.674597  1
  C  C1910  1  0.702998  0.635874  0.674597  1
  C  C1911  1  0.878878  0.733196  0.640950  1
  C  C1912  1  0.878879  0.933196  0.640950  1
  C  C1913  1  0.878879  0.133196  0.640950  1
  C  C1914  1  0.878879  0.333195  0.640949  1
  C  C1915  1  0.878878  0.533195  0.640949  1
  C  C1916  1  0.378878  0.733196  0.640950  1
  C  C1917  1  0.378879  0.933195  0.640949  1
  C  C1918  1  0.378879  0.133195  0.640949  1
  C  C1919  1  0.378879  0.333195  0.640950  1
  C  C1920  1  0.378878  0.533196  0.640950  1
  C  C1921  1  0.002938  0.845235  0.703269  1
  C  C1922  1  0.002938  0.045235  0.703269  1
  C  C1923  1  0.002939  0.245235  0.703269  1
  C  C1924  1  0.002939  0.445235  0.703269  1
  C  C1925  1  0.002937  0.645235  0.703269  1
  C  C1926  1  0.502938  0.845236  0.703269  1
  C  C1927  1  0.502938  0.045236  0.703269  1
  C  C1928  1  0.502938  0.245236  0.703269  1
  C  C1929  1  0.502938  0.445236  0.703269  1
  C  C1930  1  0.502938  0.645236  0.703269  1
  C  C1931  1  0.164125  0.796920  0.720488  1
  C  C1932  1  0.164126  0.996920  0.720488  1
  C  C1933  1  0.164125  0.196920  0.720488  1
  C  C1934  1  0.164125  0.396920  0.720488  1
  C  C1935  1  0.164125  0.596920  0.720488  1
  C  C1936  1  0.664125  0.796920  0.720488  1
  C  C1937  1  0.664125  0.996920  0.720488  1
  C  C1938  1  0.664125  0.196920  0.720488  1
  C  C1939  1  0.664125  0.396920  0.720488  1
  C  C1940  1  0.664125  0.596920  0.720488  1
  C  C1941  1  0.841093  0.894730  0.688373  1
  C  C1942  1  0.841093  0.094730  0.688373  1
  C  C1943  1  0.841094  0.294730  0.688373  1
  C  C1944  1  0.841093  0.494729  0.688373  1
  C  C1945  1  0.841093  0.694730  0.688373  1
  C  C1946  1  0.341094  0.894730  0.688373  1
  C  C1947  1  0.341094  0.094729  0.688373  1
  C  C1948  1  0.341093  0.294730  0.688373  1
  C  C1949  1  0.341093  0.494729  0.688373  1
  C  C1950  1  0.341093  0.694730  0.688373  1
  C  C1951  1  0.112065  0.865516  0.698609  1
  C  C1952  1  0.112065  0.065516  0.698609  1
  C  C1953  1  0.112065  0.265516  0.698609  1
  C  C1954  1  0.112064  0.465516  0.698609  1
  C  C1955  1  0.112065  0.665516  0.698609  1
  C  C1956  1  0.612065  0.865516  0.698609  1
  C  C1957  1  0.612065  0.065516  0.698609  1
  C  C1958  1  0.612065  0.265516  0.698609  1
  C  C1959  1  0.612065  0.465516  0.698609  1
  C  C1960  1  0.612065  0.665516  0.698609  1
  C  C1961  1  0.273546  0.819070  0.715528  1
  C  C1962  1  0.273547  0.019070  0.715528  1
  C  C1963  1  0.273546  0.219070  0.715528  1
  C  C1964  1  0.273545  0.419070  0.715528  1
  C  C1965  1  0.273545  0.619070  0.715528  1
  C  C1966  1  0.773546  0.819070  0.715528  1
  C  C1967  1  0.773547  0.019070  0.715528  1
  C  C1968  1  0.773546  0.219070  0.715528  1
  C  C1969  1  0.773546  0.419070  0.715528  1
  C  C1970  1  0.773545  0.619070  0.715528  1
  C  C1971  1  0.951108  0.914168  0.681048  1
  C  C1972  1  0.951108  0.114168  0.681048  1
  C  C1973  1  0.951107  0.314168  0.681049  1
  C  C1974  1  0.951107  0.514169  0.681049  1
  C  C1975  1  0.951108  0.714168  0.681047  1
  C  C1976  1  0.451108  0.914168  0.681049  1
  C  C1977  1  0.451108  0.114168  0.681048  1
  C  C1978  1  0.451107  0.314168  0.681048  1
  C  C1979  1  0.451107  0.514168  0.681048  1
  C  C1980  1  0.451107  0.714168  0.681048  1
  C  C1981  1  0.010141  0.896294  0.687724  1
  C  C1982  1  0.010141  0.096294  0.687724  1
  C  C1983  1  0.010141  0.296293  0.687725  1
  C  C1984  1  0.010140  0.496294  0.687724  1
  C  C1985  1  0.010140  0.696294  0.687724  1
  C  C1986  1  0.510141  0.896293  0.687724  1
  C  C1987  1  0.510140  0.096294  0.687724  1
  C  C1988  1  0.510140  0.296294  0.687724  1
  C  C1989  1  0.510140  0.496294  0.687724  1
  C  C1990  1  0.510140  0.696294  0.687724  1
  C  C1991  1  0.170248  0.847530  0.704317  1
  C  C1992  1  0.170248  0.047530  0.704317  1
  C  C1993  1  0.170248  0.247530  0.704317  1
  C  C1994  1  0.170247  0.447530  0.704317  1
  C  C1995  1  0.170247  0.647530  0.704317  1
  C  C1996  1  0.670247  0.847530  0.704317  1
  C  C1997  1  0.670248  0.047530  0.704318  1
  C  C1998  1  0.670247  0.247531  0.704317  1
  C  C1999  1  0.670247  0.447530  0.704317  1
  C  C2000  1  0.670247  0.647530  0.704317  1
  C  C2001  1  0.866300  0.788255  0.737619  1
  C  C2002  1  0.866302  0.988254  0.737619  1
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  C  C2006  1  0.366300  0.788255  0.737619  1
  C  C2007  1  0.366302  0.988254  0.737619  1
  C  C2008  1  0.366300  0.188255  0.737619  1
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  C  C2010  1  0.366300  0.588255  0.737619  1
  C  C2011  1  0.109905  0.812817  0.714635  1
  C  C2012  1  0.109906  0.012817  0.714635  1
  C  C2013  1  0.109906  0.212817  0.714636  1
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  C  C2021  1  0.284997  0.912400  0.681550  1
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  C  C2031  1  0.949028  0.861750  0.697352  1
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  C  C2033  1  0.949027  0.261751  0.697351  1
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  C  C2041  1  0.083162  0.921061  0.711486  1
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  C  C2061  1  0.923252  0.769976  0.693498  1
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  C  C2071  1  0.030871  0.790191  0.689899  1
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  C  C2081  1  0.192543  0.942141  0.707358  1
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  C  C2089  1  0.692543  0.542141  0.707358  1
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  C  C2091  1  0.852011  0.892765  0.724608  1
  C  C2092  1  0.852011  0.092764  0.724607  1
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  C  C2096  1  0.352011  0.892765  0.724607  1
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  C  C2101  1  0.090422  0.772296  0.696315  1
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  C  C2111  1  0.250771  0.927644  0.711694  1
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  C  C2121  1  0.927739  0.822727  0.678657  1
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  C  C2131  1  0.029208  0.937500  0.706026  1
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  C  C2141  1  0.181601  0.892876  0.726230  1
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  C  C2151  1  0.868707  0.786034  0.690187  1
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  C  C2160  1  0.368706  0.586034  0.690187  1
