data_ZIF-8S

_audit_creation_method RASPA-1.0
_audit_creation_date 2018-12-5
_audit_author_name 'Yaicel Ge Proenza'

_cell_length_a    61.964
_cell_length_b    61.964
_cell_length_c    61.964
_cell_angle_alpha 90
_cell_angle_beta  90
_cell_angle_gamma 90
_cell_volume      237913

_symmetry_cell_setting          triclinic
_symmetry_space_group_name_Hall 'P 1'
_symmetry_space_group_name_H-M  'P 1'
_symmetry_Int_Tables_number     1

_symmetry_equiv_pos_as_xyz 'x,y,z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_charge
Zn2  Zn2+  0.0887  0.4314  0.5000   1.13926  
Zn2  Zn2+  0.0887  0.5000  0.4314   1.13926  
Zn2  Zn2+  0.0887  0.5000  0.5686   1.13926  
Zn2  Zn2+  0.0887  0.5686  0.5000   1.13926  
Zn2  Zn2+  0.1572  0.3629  0.5000   1.14065  
Zn2  Zn2+  0.1572  0.5000  0.3629   1.14065  
Zn2  Zn2+  0.1572  0.5000  0.6371   1.14065  
Zn2  Zn2+  0.1572  0.6371  0.5000   1.14065  
Zn2  Zn2+  0.2258  0.2943  0.3629   1.13986  
Zn2  Zn2+  0.2258  0.2943  0.6371   1.14074  
Zn2  Zn2+  0.2258  0.3629  0.2943   1.13986  
Zn2  Zn2+  0.2258  0.3629  0.7057   1.14074  
Zn2  Zn2+  0.2258  0.6371  0.2943   1.14074  
Zn2  Zn2+  0.2258  0.6371  0.7057   1.13986  
Zn2  Zn2+  0.2258  0.7057  0.3629   1.14074  
Zn2  Zn2+  0.2258  0.7057  0.6371   1.13986  
Zn2  Zn2+  0.2943  0.2258  0.3629   1.13986  
Zn2  Zn2+  0.2943  0.2258  0.6371   1.14074  
Zn2  Zn2+  0.2943  0.3629  0.2258   1.13986  
Zn2  Zn2+  0.2943  0.3629  0.7742   1.14074  
Zn2  Zn2+  0.2943  0.6371  0.2258   1.14074  
Zn2  Zn2+  0.2943  0.6371  0.7742   1.13986  
Zn2  Zn2+  0.2943  0.7742  0.3629   1.14074  
Zn2  Zn2+  0.2943  0.7742  0.6371   1.13986  
Zn2  Zn2+  0.3629  0.1572  0.5000   1.14065  
Zn2  Zn2+  0.3629  0.2258  0.2943   1.13986  
Zn2  Zn2+  0.3629  0.2258  0.7057   1.14074  
Zn2  Zn2+  0.3629  0.2943  0.2258   1.13986  
Zn2  Zn2+  0.3629  0.2943  0.7742   1.14074  
Zn2  Zn2+  0.3629  0.5000  0.1572   1.14065  
Zn2  Zn2+  0.3629  0.5000  0.8428   1.14065  
Zn2  Zn2+  0.3629  0.7057  0.2258   1.14074  
Zn2  Zn2+  0.3629  0.7057  0.7742   1.13986  
Zn2  Zn2+  0.3629  0.7742  0.2943   1.14074  
Zn2  Zn2+  0.3629  0.7742  0.7057   1.13986  
Zn2  Zn2+  0.3629  0.8428  0.5000   1.14065  
Zn2  Zn2+  0.4314  0.0887  0.5000   1.13926  
Zn2  Zn2+  0.4314  0.5000  0.0887   1.13926  
Zn2  Zn2+  0.4314  0.5000  0.9113   1.13926  
Zn2  Zn2+  0.4314  0.9113  0.5000   1.13926  
Zn2  Zn2+  0.5000  0.0887  0.4314   1.13926  
Zn2  Zn2+  0.5000  0.0887  0.5686   1.13926  
Zn2  Zn2+  0.5000  0.1572  0.3629   1.14065  
Zn2  Zn2+  0.5000  0.1572  0.6371   1.14065  
Zn2  Zn2+  0.5000  0.3629  0.1572   1.14065  
Zn2  Zn2+  0.5000  0.3629  0.8428   1.14065  
Zn2  Zn2+  0.5000  0.4314  0.0887   1.13926  
Zn2  Zn2+  0.5000  0.4314  0.9113   1.13926  
Zn2  Zn2+  0.5000  0.5686  0.0887   1.13926  
Zn2  Zn2+  0.5000  0.5686  0.9113   1.13926  
Zn2  Zn2+  0.5000  0.6371  0.1572   1.14065  
Zn2  Zn2+  0.5000  0.6371  0.8428   1.14065  
Zn2  Zn2+  0.5000  0.8428  0.3629   1.14065  
Zn2  Zn2+  0.5000  0.8428  0.6371   1.14065  
Zn2  Zn2+  0.5000  0.9113  0.4314   1.13926  
Zn2  Zn2+  0.5000  0.9113  0.5686   1.13926  
Zn2  Zn2+  0.5686  0.0887  0.5000   1.13926  
Zn2  Zn2+  0.5686  0.5000  0.0887   1.13926  
Zn2  Zn2+  0.5686  0.5000  0.9113   1.13926  
Zn2  Zn2+  0.5686  0.9113  0.5000   1.13926  
Zn2  Zn2+  0.6371  0.1572  0.5000   1.14065  
Zn2  Zn2+  0.6371  0.2258  0.2943   1.14074  
Zn2  Zn2+  0.6371  0.2258  0.7057   1.13986  
Zn2  Zn2+  0.6371  0.2943  0.2258   1.14074  
Zn2  Zn2+  0.6371  0.2943  0.7742   1.13986  
Zn2  Zn2+  0.6371  0.5000  0.1572   1.14065  
Zn2  Zn2+  0.6371  0.5000  0.8428   1.14065  
Zn2  Zn2+  0.6371  0.7057  0.2258   1.13986  
Zn2  Zn2+  0.6371  0.7057  0.7742   1.14074  
Zn2  Zn2+  0.6371  0.7742  0.2943   1.13986  
Zn2  Zn2+  0.6371  0.7742  0.7057   1.14072  
Zn2  Zn2+  0.6371  0.8428  0.5000   1.14064  
Zn2  Zn2+  0.7057  0.2258  0.3629   1.14074  
Zn2  Zn2+  0.7057  0.2258  0.6371   1.13986  
Zn2  Zn2+  0.7057  0.3629  0.2258   1.14074  
Zn2  Zn2+  0.7057  0.3629  0.7742   1.13986  
Zn2  Zn2+  0.7057  0.6371  0.2258   1.13986  
Zn2  Zn2+  0.7057  0.6371  0.7742   1.14074  
Zn2  Zn2+  0.7057  0.7742  0.3629   1.13969  
Zn2  Zn2+  0.7057  0.7742  0.6371   1.14064  
Zn2  Zn2+  0.7742  0.2943  0.3629   1.14074  
Zn2  Zn2+  0.7742  0.2943  0.6371   1.13986  
Zn2  Zn2+  0.7742  0.3629  0.2943   1.14074  
Zn2  Zn2+  0.7742  0.3629  0.7057   1.13986  
Zn2  Zn2+  0.7742  0.6371  0.2943   1.13986  
Zn2  Zn2+  0.7742  0.6371  0.7057   1.14074  
Zn2  Zn2+  0.7742  0.7057  0.3629   1.13986  
Zn2  Zn2+  0.7742  0.7057  0.6371   1.14073  
Zn2  Zn2+  0.8428  0.3629  0.5000   1.14065  
Zn2  Zn2+  0.8428  0.5000  0.3629   1.14065  
Zn2  Zn2+  0.8428  0.5000  0.6371   1.14065  
Zn2  Zn2+  0.8428  0.6371  0.5000   1.14065  
Zn2  Zn2+  0.9113  0.4314  0.5000   1.13926  
Zn2  Zn2+  0.9113  0.5000  0.4314   1.13926  
Zn2  Zn2+  0.9113  0.5000  0.5686   1.13926  
Zn2  Zn2+  0.9113  0.5686  0.5000   1.13926  
H2   H     0.0500  0.4387  0.5335  -0.03567  
H2   H     0.0500  0.4665  0.5613  -0.03567  
H2   H     0.0500  0.5335  0.4387  -0.03567  
H2   H     0.0500  0.5613  0.4665  -0.03567  
C2   C     0.0610  0.4486  0.5361  -0.01834  
C2   C     0.0610  0.4639  0.5514  -0.01834  
C2   C     0.0610  0.5361  0.4486  -0.01834  
C2   C     0.0610  0.5514  0.4639  -0.01834  
C3m  C     0.0652  0.4743  0.4743  -0.19712  
C3m  C     0.0652  0.5257  0.5257  -0.19712  
N1   N     0.0800  0.4499  0.5248  -0.30857  
N1   N     0.0800  0.4752  0.5501  -0.30857  
N1   N     0.0800  0.5248  0.4499  -0.30857  
N1   N     0.0800  0.5501  0.4752  -0.30857  
C1   C     0.0865  0.4663  0.4663   0.10505  
C1   C     0.0865  0.5337  0.5337   0.10505  
C1   C     0.0909  0.4663  0.5337   0.11693  
C1   C     0.0909  0.5337  0.4663   0.11693  
N1   N     0.0974  0.4499  0.4752  -0.30606  
N1   N     0.0974  0.4752  0.4499  -0.30606  
N1   N     0.0974  0.5248  0.5501  -0.30606  
N1   N     0.0974  0.5501  0.5248  -0.30606  
C3m  C     0.1121  0.4743  0.5257  -0.14098  
C3m  C     0.1121  0.5257  0.4743  -0.14098  
N1   N     0.1134  0.4130  0.5087  -0.31081  
N1   N     0.1134  0.4913  0.5870  -0.31081  
N1   N     0.1134  0.5087  0.4130  -0.31081  
N1   N     0.1134  0.5870  0.4913  -0.31081  
C3m  C     0.1144  0.3886  0.4766  -0.22254  
C3m  C     0.1144  0.4766  0.3886  -0.22254  
C3m  C     0.1144  0.5234  0.6114  -0.22254  
C3m  C     0.1144  0.6114  0.5234  -0.22254  
C2   C     0.1163  0.4486  0.4639  -0.008922 
C2   C     0.1163  0.4639  0.4486  -0.008922 
C2   C     0.1163  0.5361  0.5514  -0.008927 
C2   C     0.1163  0.5514  0.5361  -0.008922 
H2   H     0.1222  0.4242  0.5387  -0.003065 
H2   H     0.1222  0.4613  0.5758  -0.003065 
H2   H     0.1222  0.5387  0.4242  -0.003064 
H2   H     0.1222  0.5758  0.4613  -0.003068 
C1   C     0.1224  0.3966  0.4978   0.10485  
C1   C     0.1224  0.4978  0.3966   0.10485  
C1   C     0.1224  0.5022  0.6034   0.10485  
C1   C     0.1224  0.6034  0.5022   0.10485  
C2   C     0.1247  0.4143  0.5277  -0.01240  
C2   C     0.1247  0.4723  0.5857  -0.01240  
C2   C     0.1247  0.5277  0.4143  -0.01240  
C2   C     0.1247  0.5857  0.4723  -0.01240  
H2   H     0.1274  0.4387  0.4665   0.001771 
H2   H     0.1274  0.4665  0.4387   0.001771 
H2   H     0.1274  0.5335  0.5613   0.001773 
H2   H     0.1274  0.5613  0.5335   0.001772 
N1   N     0.1388  0.3876  0.5087  -0.30980  
N1   N     0.1388  0.4913  0.6124  -0.30980  
N1   N     0.1388  0.5087  0.3876  -0.30980  
N1   N     0.1388  0.6124  0.4913  -0.30980  
C2   C     0.1401  0.3990  0.5277  -0.01395  
C2   C     0.1401  0.4723  0.6010  -0.01395  
C2   C     0.1401  0.5277  0.3990  -0.01395  
C2   C     0.1401  0.6010  0.4723  -0.01395  
H2   H     0.1499  0.3964  0.5387  -0.001061 
H2   H     0.1499  0.4613  0.6036  -0.001068 
H2   H     0.1499  0.5387  0.3964  -0.001063 
H2   H     0.1499  0.6036  0.4613  -0.001065 
H2   H     0.1645  0.3242  0.5335  -0.03062  
H2   H     0.1645  0.4016  0.4665   0.002364 
H2   H     0.1645  0.4665  0.4016   0.002365 
H2   H     0.1645  0.4665  0.6758  -0.03062  
H2   H     0.1645  0.5335  0.3242  -0.03062  
H2   H     0.1645  0.5335  0.5984   0.002367 
H2   H     0.1645  0.5984  0.5335   0.002365 
H2   H     0.1645  0.6758  0.4665  -0.03062  
C2   C     0.1744  0.3352  0.5361  -0.01665  
C2   C     0.1744  0.3906  0.4639  -0.007782 
C2   C     0.1744  0.4639  0.3906  -0.00778  
C2   C     0.1744  0.4639  0.6648  -0.01665  
C2   C     0.1744  0.5361  0.3352  -0.01665  
C2   C     0.1744  0.5361  0.6094  -0.00778  
C2   C     0.1744  0.6094  0.5361  -0.007781 
C2   C     0.1744  0.6648  0.4639  -0.01665  
N1   N     0.1757  0.3542  0.5248  -0.30695  
N1   N     0.1757  0.3716  0.4752  -0.30497  
N1   N     0.1757  0.4752  0.3716  -0.30497  
N1   N     0.1757  0.4752  0.6458  -0.30695  
N1   N     0.1757  0.5248  0.3542  -0.30695  
N1   N     0.1757  0.5248  0.6284  -0.30497  
N1   N     0.1757  0.6284  0.5248  -0.30497  
N1   N     0.1757  0.6458  0.4752  -0.30695  
H2   H     0.1871  0.3016  0.3964  -0.03164  
H2   H     0.1871  0.3016  0.6706  -0.03306  
H2   H     0.1871  0.3294  0.4242  -0.01110  
H2   H     0.1871  0.3294  0.6984  -0.03306  
H2   H     0.1871  0.3964  0.3016  -0.03164  
H2   H     0.1871  0.3964  0.5758   0.0009867
H2   H     0.1871  0.4242  0.3294  -0.01110  
H2   H     0.1871  0.4242  0.6036   0.0009881
H2   H     0.1871  0.5758  0.3964   0.0009844
H2   H     0.1871  0.5758  0.6706  -0.01110  
H2   H     0.1871  0.6036  0.4242   0.0009873
H2   H     0.1871  0.6036  0.6984  -0.03164  
H2   H     0.1871  0.6706  0.3016  -0.03306  
H2   H     0.1871  0.6706  0.5758  -0.01110  
H2   H     0.1871  0.6984  0.3294  -0.03306  
H2   H     0.1871  0.6984  0.6036  -0.03164  
C2   C     0.1897  0.3352  0.5514  -0.007083 
C2   C     0.1897  0.3906  0.4486  -0.005723 
C2   C     0.1897  0.4486  0.3906  -0.005721 
C2   C     0.1897  0.4486  0.6648  -0.007084 
C2   C     0.1897  0.5514  0.3352  -0.007082 
C2   C     0.1897  0.5514  0.6094  -0.005721 
C2   C     0.1897  0.6094  0.5514  -0.005726 
C2   C     0.1897  0.6648  0.4486  -0.007091 
C1   C     0.1921  0.3607  0.4663   0.11324  
C1   C     0.1921  0.3651  0.5337   0.11743  
C1   C     0.1921  0.4663  0.3607   0.11324  
C1   C     0.1921  0.4663  0.6349   0.11743  
C1   C     0.1921  0.5337  0.3651   0.11743  
C1   C     0.1921  0.5337  0.6393   0.11324  
C1   C     0.1921  0.6349  0.4663   0.11743  
C1   C     0.1921  0.6393  0.5337   0.11324  
H2   H     0.1923  0.3242  0.5613  -0.01017  
H2   H     0.1923  0.4016  0.4387   0.003925 
H2   H     0.1923  0.4387  0.4016   0.003925 
H2   H     0.1923  0.4387  0.6758  -0.01017  
H2   H     0.1923  0.5613  0.3242  -0.01017  
H2   H     0.1923  0.5613  0.5984   0.003928 
H2   H     0.1923  0.5984  0.5613   0.003927 
H2   H     0.1923  0.6758  0.4387  -0.01017  
C2   C     0.1981  0.3115  0.3990  -0.01805  
C2   C     0.1981  0.3115  0.6732  -0.01762  
C2   C     0.1981  0.3268  0.4143  -0.006863 
C2   C     0.1981  0.3268  0.6885  -0.01762  
C2   C     0.1981  0.3990  0.3115  -0.01805  
C2   C     0.1981  0.3990  0.5857  -0.004683 
C2   C     0.1981  0.4143  0.3268  -0.006861 
C2   C     0.1981  0.4143  0.6010  -0.004683 
C2   C     0.1981  0.5857  0.3990  -0.004683 
C2   C     0.1981  0.5857  0.6732  -0.006862 
C2   C     0.1981  0.6010  0.4143  -0.004681 
C2   C     0.1981  0.6010  0.6885  -0.01805  
C2   C     0.1981  0.6732  0.3115  -0.01762  
C2   C     0.1981  0.6732  0.5857  -0.00686  
C2   C     0.1981  0.6885  0.3268  -0.01762  
C2   C     0.1981  0.6885  0.6010  -0.01805  
C3m  C     0.2000  0.3395  0.4743  -0.16942  
C3m  C     0.2000  0.3863  0.5257  -0.13979  
C3m  C     0.2000  0.4743  0.3395  -0.16942  
C3m  C     0.2000  0.4743  0.6137  -0.13979  
C3m  C     0.2000  0.5257  0.3863  -0.13979  
C3m  C     0.2000  0.5257  0.6605  -0.16942  
C3m  C     0.2000  0.6137  0.4743  -0.13979  
C3m  C     0.2000  0.6605  0.5257  -0.16942  
N1   N     0.2010  0.3542  0.5501  -0.29208  
N1   N     0.2010  0.3716  0.4499  -0.29079  
N1   N     0.2010  0.4499  0.3716  -0.29079  
N1   N     0.2010  0.4499  0.6458  -0.29208  
N1   N     0.2010  0.5501  0.3542  -0.29208  
N1   N     0.2010  0.5501  0.6284  -0.29079  
N1   N     0.2010  0.6284  0.5501  -0.29079  
N1   N     0.2010  0.6458  0.4499  -0.29208  
C3m  C     0.2023  0.3371  0.3371  -0.19553  
C3m  C     0.2023  0.3371  0.6114  -0.17165  
C3m  C     0.2023  0.3886  0.3886  -0.15161  
C3m  C     0.2023  0.3886  0.6629  -0.17165  
C3m  C     0.2023  0.6114  0.3371  -0.17165  
C3m  C     0.2023  0.6114  0.6114  -0.15161  
C3m  C     0.2023  0.6629  0.3886  -0.17165  
C3m  C     0.2023  0.6629  0.6629  -0.19553  
N1   N     0.2171  0.3128  0.3876  -0.30773  
N1   N     0.2171  0.3128  0.6619  -0.30808  
N1   N     0.2171  0.3381  0.4130  -0.29287  
N1   N     0.2171  0.3381  0.6872  -0.30808  
N1   N     0.2171  0.3876  0.3128  -0.30773  
N1   N     0.2171  0.3876  0.5870  -0.29133  
N1   N     0.2171  0.4130  0.3381  -0.29287  
N1   N     0.2171  0.4130  0.6124  -0.29133  
N1   N     0.2171  0.5870  0.3876  -0.29133  
N1   N     0.2171  0.5870  0.6619  -0.29287  
N1   N     0.2171  0.6124  0.4130  -0.29133  
N1   N     0.2171  0.6124  0.6872  -0.30773  
N1   N     0.2171  0.6619  0.3128  -0.30808  
N1   N     0.2171  0.6619  0.5870  -0.29287  
N1   N     0.2171  0.6872  0.3381  -0.30808  
N1   N     0.2171  0.6872  0.6124  -0.30773  
C1   C     0.2236  0.3292  0.3292   0.10547  
C1   C     0.2236  0.3292  0.6034   0.11277  
C1   C     0.2236  0.3966  0.3966   0.11962  
C1   C     0.2236  0.3966  0.6708   0.11277  
C1   C     0.2236  0.6034  0.3292   0.11277  
C1   C     0.2236  0.6034  0.6034   0.11962  
C1   C     0.2236  0.6708  0.3966   0.11277  
C1   C     0.2236  0.6708  0.6708   0.10547  
Zn1  Zn2+  0.2258  0.3629  0.4314   1.17865  
Zn1  Zn2+  0.2258  0.3629  0.5686   1.17867  
Zn1  Zn2+  0.2258  0.4314  0.3629   1.17865  
Zn1  Zn2+  0.2258  0.4314  0.6371   1.17867  
Zn1  Zn2+  0.2258  0.5686  0.3629   1.17867  
Zn1  Zn2+  0.2258  0.5686  0.6371   1.17865  
Zn1  Zn2+  0.2258  0.6371  0.4314   1.17867  
Zn1  Zn2+  0.2258  0.6371  0.5686   1.17865  
C1   C     0.2280  0.3292  0.3966   0.11715  
C1   C     0.2280  0.3292  0.6708   0.11759  
C1   C     0.2280  0.3966  0.3292   0.11715  
C1   C     0.2280  0.3966  0.6034   0.11766  
C1   C     0.2280  0.6034  0.3966   0.11766  
C1   C     0.2280  0.6034  0.6708   0.11715  
C1   C     0.2280  0.6708  0.3292   0.11759  
C1   C     0.2280  0.6708  0.6034   0.11715  
N1   N     0.2345  0.3128  0.3381  -0.30607  
N1   N     0.2345  0.3128  0.6124  -0.30549  
N1   N     0.2345  0.3381  0.3128  -0.30607  
N1   N     0.2345  0.3381  0.5870  -0.29160  
N1   N     0.2345  0.3876  0.4130  -0.29163  
N1   N     0.2345  0.3876  0.6872  -0.30549  
N1   N     0.2345  0.4130  0.3876  -0.29163  
N1   N     0.2345  0.4130  0.6619  -0.29160  
N1   N     0.2345  0.5870  0.3381  -0.29160  
N1   N     0.2345  0.5870  0.6124  -0.29163  
N1   N     0.2345  0.6124  0.3128  -0.30549  
N1   N     0.2345  0.6124  0.5870  -0.29163  
N1   N     0.2345  0.6619  0.4130  -0.29160  
N1   N     0.2345  0.6619  0.6872  -0.30607  
N1   N     0.2345  0.6872  0.3876  -0.30549  
N1   N     0.2345  0.6872  0.6619  -0.30607  
C3m  C     0.2492  0.3371  0.3886  -0.13961  
C3m  C     0.2492  0.3371  0.6629  -0.14168  
C3m  C     0.2492  0.3886  0.3371  -0.13961  
C3m  C     0.2492  0.3886  0.6114  -0.13732  
C3m  C     0.2492  0.6114  0.3886  -0.13732  
C3m  C     0.2492  0.6114  0.6629  -0.13961  
C3m  C     0.2492  0.6629  0.3371  -0.14168  
C3m  C     0.2492  0.6629  0.6114  -0.13961  
N1   N     0.2505  0.2759  0.3716  -0.31031  
N1   N     0.2505  0.2759  0.6458  -0.30992  
N1   N     0.2505  0.3542  0.4499  -0.29061  
N1   N     0.2505  0.3542  0.7241  -0.30992  
N1   N     0.2505  0.3716  0.2759  -0.31031  
N1   N     0.2505  0.3716  0.5501  -0.29065  
N1   N     0.2505  0.4499  0.3542  -0.29061  
N1   N     0.2505  0.4499  0.6284  -0.29065  
N1   N     0.2505  0.5501  0.3716  -0.29065  
N1   N     0.2505  0.5501  0.6458  -0.29061  
N1   N     0.2505  0.6284  0.4499  -0.29065  
N1   N     0.2505  0.6284  0.7241  -0.31031  
N1   N     0.2505  0.6458  0.2759  -0.30992  
N1   N     0.2505  0.6458  0.5501  -0.29061  
N1   N     0.2505  0.7241  0.3542  -0.30992  
N1   N     0.2505  0.7241  0.6284  -0.31031  
C3m  C     0.2515  0.2515  0.3395  -0.22675  
C3m  C     0.2515  0.2515  0.6137  -0.21685  
C3m  C     0.2515  0.3395  0.2515  -0.22675  
C3m  C     0.2515  0.3395  0.5257  -0.14655  
C3m  C     0.2515  0.3863  0.4743  -0.13735  
C3m  C     0.2515  0.3863  0.7485  -0.21685  
C3m  C     0.2515  0.4743  0.3863  -0.13735  
C3m  C     0.2515  0.4743  0.6605  -0.14655  
C3m  C     0.2515  0.5257  0.3395  -0.14655  
C3m  C     0.2515  0.5257  0.6137  -0.13735  
C3m  C     0.2515  0.6137  0.2515  -0.21685  
C3m  C     0.2515  0.6137  0.5257  -0.13735  
C3m  C     0.2515  0.6605  0.4743  -0.14655  
C3m  C     0.2515  0.6605  0.7485  -0.22676  
C3m  C     0.2515  0.7485  0.3863  -0.21685  
C3m  C     0.2515  0.7485  0.6605  -0.22676  
C2   C     0.2534  0.3115  0.3268  -0.009416 
C2   C     0.2534  0.3115  0.6010  -0.007219 
C2   C     0.2534  0.3268  0.3115  -0.009414 
C2   C     0.2534  0.3268  0.5857  -0.003583 
C2   C     0.2534  0.3990  0.4143  -0.001321 
C2   C     0.2534  0.3990  0.6885  -0.007213 
C2   C     0.2534  0.4143  0.3990  -0.001321 
C2   C     0.2534  0.4143  0.6732  -0.003589 
C2   C     0.2534  0.5857  0.3268  -0.003581 
C2   C     0.2534  0.5857  0.6010  -0.001322 
C2   C     0.2534  0.6010  0.3115  -0.007215 
C2   C     0.2534  0.6010  0.5857  -0.001321 
C2   C     0.2534  0.6732  0.4143  -0.003582 
C2   C     0.2534  0.6732  0.6885  -0.009411 
C2   C     0.2534  0.6885  0.3990  -0.00721  
C2   C     0.2534  0.6885  0.6732  -0.009413 
H2   H     0.2593  0.2871  0.4016  -0.0004194
H2   H     0.2593  0.2871  0.6758  -0.003299 
H2   H     0.2593  0.3242  0.4387   0.001994 
H2   H     0.2593  0.3242  0.7129  -0.003298 
H2   H     0.2593  0.4016  0.2871  -0.0004107
H2   H     0.2593  0.4016  0.5613   0.006226 
H2   H     0.2593  0.4387  0.3242   0.001991 
H2   H     0.2593  0.4387  0.5984   0.006226 
H2   H     0.2593  0.5613  0.4016   0.006226 
H2   H     0.2593  0.5613  0.6758   0.001998 
H2   H     0.2593  0.5984  0.4387   0.006226 
H2   H     0.2593  0.5984  0.7129  -0.0004153
H2   H     0.2593  0.6758  0.2871  -0.003292 
H2   H     0.2593  0.6758  0.5613   0.001992 
H2   H     0.2593  0.7129  0.3242  -0.003294 
H2   H     0.2593  0.7129  0.5984  -0.0004143
C1   C     0.2595  0.2595  0.3607   0.10558  
C1   C     0.2595  0.2595  0.6349   0.10430  
C1   C     0.2595  0.3607  0.2595   0.10558  
C1   C     0.2595  0.3607  0.5337   0.12003  
C1   C     0.2595  0.3651  0.4663   0.11819  
C1   C     0.2595  0.3651  0.7405   0.10430  
C1   C     0.2595  0.4663  0.3651   0.11819  
C1   C     0.2595  0.4663  0.6393   0.12003  
C1   C     0.2595  0.5337  0.3607   0.12003  
C1   C     0.2595  0.5337  0.6349   0.11819  
C1   C     0.2595  0.6349  0.2595   0.10430  
C1   C     0.2595  0.6349  0.5337   0.11819  
C1   C     0.2595  0.6393  0.4663   0.12003  
C1   C     0.2595  0.6393  0.7405   0.10558  
C1   C     0.2595  0.7405  0.3651   0.10430  
C1   C     0.2595  0.7405  0.6393   0.10558  
C2   C     0.2618  0.2772  0.3906  -0.01244  
C2   C     0.2618  0.2772  0.6648  -0.01335  
C2   C     0.2618  0.3352  0.4486  -0.003536 
C2   C     0.2618  0.3352  0.7228  -0.01335  
C2   C     0.2618  0.3906  0.2772  -0.01244  
C2   C     0.2618  0.3906  0.5514  -0.002118 
C2   C     0.2618  0.4486  0.3352  -0.003533 
C2   C     0.2618  0.4486  0.6094  -0.002118 
C2   C     0.2618  0.5514  0.3906  -0.002119 
C2   C     0.2618  0.5514  0.6648  -0.003534 
C2   C     0.2618  0.6094  0.4486  -0.002119 
C2   C     0.2618  0.6094  0.7228  -0.01244  
C2   C     0.2618  0.6648  0.2772  -0.01335  
C2   C     0.2618  0.6648  0.5514  -0.003531 
C2   C     0.2618  0.7228  0.3352  -0.01335  
C2   C     0.2618  0.7228  0.6094  -0.01244  
H2   H     0.2645  0.3016  0.3294   0.001126 
H2   H     0.2645  0.3016  0.6036   0.003091 
H2   H     0.2645  0.3294  0.3016   0.001126 
H2   H     0.2645  0.3294  0.5758   0.004036 
H2   H     0.2645  0.3964  0.4242   0.00578  
H2   H     0.2645  0.3964  0.6984   0.003094 
H2   H     0.2645  0.4242  0.3964   0.00578  
H2   H     0.2645  0.4242  0.6706   0.004038 
H2   H     0.2645  0.5758  0.3294   0.004038 
H2   H     0.2645  0.5758  0.6036   0.00578  
H2   H     0.2645  0.6036  0.3016   0.003093 
H2   H     0.2645  0.6036  0.5758   0.00578  
H2   H     0.2645  0.6706  0.4242   0.004032 
H2   H     0.2645  0.6706  0.6984   0.001128 
H2   H     0.2645  0.6984  0.3964   0.003096 
H2   H     0.2645  0.6984  0.6706   0.001128 
N1   N     0.2759  0.2505  0.3716  -0.31031  
N1   N     0.2759  0.2505  0.6458  -0.30992  
N1   N     0.2759  0.3542  0.4752  -0.29037  
N1   N     0.2759  0.3542  0.7495  -0.30992  
N1   N     0.2759  0.3716  0.2505  -0.31031  
N1   N     0.2759  0.3716  0.5248  -0.29054  
N1   N     0.2759  0.4752  0.3542  -0.29037  
N1   N     0.2759  0.4752  0.6284  -0.29054  
N1   N     0.2759  0.5248  0.3716  -0.29054  
N1   N     0.2759  0.5248  0.6458  -0.29037  
N1   N     0.2759  0.6284  0.4752  -0.29054  
N1   N     0.2759  0.6284  0.7495  -0.31031  
N1   N     0.2759  0.6458  0.2505  -0.30992  
N1   N     0.2759  0.6458  0.5248  -0.29037  
N1   N     0.2759  0.7495  0.3542  -0.30992  
N1   N     0.2759  0.7495  0.6284  -0.31031  
C2   C     0.2772  0.2618  0.3906  -0.01244  
C2   C     0.2772  0.2618  0.6648  -0.01335  
C2   C     0.2772  0.3352  0.4639  -0.003615 
C2   C     0.2772  0.3352  0.7382  -0.01335  
C2   C     0.2772  0.3906  0.2618  -0.01244  
C2   C     0.2772  0.3906  0.5361  -0.00172  
C2   C     0.2772  0.4639  0.3352  -0.003611 
C2   C     0.2772  0.4639  0.6094  -0.00172  
C2   C     0.2772  0.5361  0.3906  -0.00172  
C2   C     0.2772  0.5361  0.6648  -0.003612 
C2   C     0.2772  0.6094  0.4639  -0.00172  
C2   C     0.2772  0.6094  0.7382  -0.01244  
C2   C     0.2772  0.6648  0.2618  -0.01335  
C2   C     0.2772  0.6648  0.5361  -0.003611 
C2   C     0.2772  0.7382  0.3352  -0.01335  
C2   C     0.2772  0.7382  0.6094  -0.01244  
H2   H     0.2871  0.2593  0.4016  -0.0004195
H2   H     0.2871  0.2593  0.6758  -0.003291 
H2   H     0.2871  0.3242  0.4665   0.003669 
H2   H     0.2871  0.3242  0.7407  -0.003296 
H2   H     0.2871  0.4016  0.2593  -0.0004198
H2   H     0.2871  0.4016  0.5335   0.006053 
H2   H     0.2871  0.4665  0.3242   0.003674 
H2   H     0.2871  0.4665  0.5984   0.006053 
H2   H     0.2871  0.5335  0.4016   0.006053 
H2   H     0.2871  0.5335  0.6758   0.003673 
H2   H     0.2871  0.5984  0.4665   0.006053 
H2   H     0.2871  0.5984  0.7407  -0.0004135
H2   H     0.2871  0.6758  0.2593  -0.003297 
H2   H     0.2871  0.6758  0.5335   0.003662 
H2   H     0.2871  0.7407  0.3242  -0.003292 
H2   H     0.2871  0.7407  0.5984  -0.0004111
Zn1  Zn2+  0.2943  0.3629  0.5000   1.17912  
Zn1  Zn2+  0.2943  0.5000  0.3629   1.17912  
Zn1  Zn2+  0.2943  0.5000  0.6371   1.17912  
Zn1  Zn2+  0.2943  0.6371  0.5000   1.17912  
H2   H     0.3016  0.1871  0.3964  -0.03164  
H2   H     0.3016  0.1871  0.6706  -0.03306  
H2   H     0.3016  0.2645  0.3294   0.001126 
H2   H     0.3016  0.2645  0.6036   0.003091 
H2   H     0.3016  0.3294  0.2645   0.001126 
H2   H     0.3016  0.3294  0.5387   0.004776 
H2   H     0.3016  0.3294  0.8129  -0.03306  
H2   H     0.3016  0.3964  0.1871  -0.03164  
H2   H     0.3016  0.3964  0.4613   0.006491 
H2   H     0.3016  0.3964  0.7355   0.003094 
H2   H     0.3016  0.4613  0.3964   0.006491 
H2   H     0.3016  0.4613  0.6706   0.004779 
H2   H     0.3016  0.5387  0.3294   0.004778 
H2   H     0.3016  0.5387  0.6036   0.006491 
H2   H     0.3016  0.6036  0.2645   0.003093 
H2   H     0.3016  0.6036  0.5387   0.006491 
H2   H     0.3016  0.6036  0.8129  -0.03164  
H2   H     0.3016  0.6706  0.1871  -0.03306  
H2   H     0.3016  0.6706  0.4613   0.004773 
H2   H     0.3016  0.6706  0.7355   0.001129 
H2   H     0.3016  0.7355  0.3964   0.003097 
H2   H     0.3016  0.7355  0.6706   0.001128 
H2   H     0.3016  0.8129  0.3294  -0.03306  
H2   H     0.3016  0.8129  0.6036  -0.03164  
C2   C     0.3115  0.1981  0.3990  -0.01805  
C2   C     0.3115  0.1981  0.6732  -0.01762  
C2   C     0.3115  0.2534  0.3268  -0.009417 
C2   C     0.3115  0.2534  0.6010  -0.007219 
C2   C     0.3115  0.3268  0.2534  -0.009412 
C2   C     0.3115  0.3268  0.5277  -0.003129 
C2   C     0.3115  0.3268  0.8019  -0.01762  
C2   C     0.3115  0.3990  0.1981  -0.01805  
C2   C     0.3115  0.3990  0.4723  -0.002735 
C2   C     0.3115  0.3990  0.7466  -0.007212 
C2   C     0.3115  0.4723  0.3990  -0.002735 
C2   C     0.3115  0.4723  0.6732  -0.003127 
C2   C     0.3115  0.5277  0.3268  -0.003127 
C2   C     0.3115  0.5277  0.6010  -0.002735 
C2   C     0.3115  0.6010  0.2534  -0.007213 
C2   C     0.3115  0.6010  0.5277  -0.002735 
C2   C     0.3115  0.6010  0.8019  -0.01805  
C2   C     0.3115  0.6732  0.1981  -0.01762  
C2   C     0.3115  0.6732  0.4723  -0.003123 
C2   C     0.3115  0.6732  0.7466  -0.009414 
C2   C     0.3115  0.7466  0.3990  -0.007216 
C2   C     0.3115  0.7466  0.6732  -0.009411 
C2   C     0.3115  0.8019  0.3268  -0.01762  
C2   C     0.3115  0.8019  0.6010  -0.01805  
N1   N     0.3128  0.2171  0.3876  -0.30773  
N1   N     0.3128  0.2171  0.6619  -0.30808  
N1   N     0.3128  0.2345  0.3381  -0.30607  
N1   N     0.3128  0.2345  0.6124  -0.30549  
N1   N     0.3128  0.3381  0.2345  -0.30607  
N1   N     0.3128  0.3381  0.5087  -0.28986  
N1   N     0.3128  0.3381  0.7829  -0.30808  
N1   N     0.3128  0.3876  0.2171  -0.30773  
N1   N     0.3128  0.3876  0.4913  -0.28993  
N1   N     0.3128  0.3876  0.7655  -0.30549  
N1   N     0.3128  0.4913  0.3876  -0.28993  
N1   N     0.3128  0.4913  0.6619  -0.28986  
N1   N     0.3128  0.5087  0.3381  -0.28986  
N1   N     0.3128  0.5087  0.6124  -0.28993  
N1   N     0.3128  0.6124  0.2345  -0.30549  
N1   N     0.3128  0.6124  0.5087  -0.28993  
N1   N     0.3128  0.6124  0.7829  -0.30773  
N1   N     0.3128  0.6619  0.2171  -0.30808  
N1   N     0.3128  0.6619  0.4913  -0.28986  
N1   N     0.3128  0.6619  0.7655  -0.30607  
N1   N     0.3128  0.7655  0.3876  -0.30549  
N1   N     0.3128  0.7655  0.6619  -0.30607  
N1   N     0.3128  0.7829  0.3381  -0.30808  
N1   N     0.3128  0.7829  0.6124  -0.30773  
H2   H     0.3242  0.1645  0.5335  -0.03062  
H2   H     0.3242  0.1923  0.5613  -0.01017  
H2   H     0.3242  0.2593  0.4387   0.001994 
H2   H     0.3242  0.2593  0.7129  -0.003291 
H2   H     0.3242  0.2871  0.4665   0.003669 
H2   H     0.3242  0.2871  0.7407  -0.003297 
H2   H     0.3242  0.4387  0.2593   0.001992 
H2   H     0.3242  0.4387  0.5335   0.006089 
H2   H     0.3242  0.4387  0.8077  -0.01017  
H2   H     0.3242  0.4665  0.2871   0.003674 
H2   H     0.3242  0.4665  0.5613   0.006089 
H2   H     0.3242  0.4665  0.8355  -0.03062  
H2   H     0.3242  0.5335  0.1645  -0.03062  
H2   H     0.3242  0.5335  0.4387   0.006089 
H2   H     0.3242  0.5335  0.7129   0.003673 
H2   H     0.3242  0.5613  0.1923  -0.01017  
H2   H     0.3242  0.5613  0.4665   0.006089 
H2   H     0.3242  0.5613  0.7407   0.001999 
H2   H     0.3242  0.7129  0.2593  -0.003297 
H2   H     0.3242  0.7129  0.5335   0.003663 
H2   H     0.3242  0.7407  0.2871  -0.003291 
H2   H     0.3242  0.7407  0.5613   0.001995 
H2   H     0.3242  0.8077  0.4387  -0.01017  
H2   H     0.3242  0.8355  0.4665  -0.03062  
C2   C     0.3268  0.1981  0.4143  -0.006866 
C2   C     0.3268  0.1981  0.6885  -0.01762  
C2   C     0.3268  0.2534  0.3115  -0.009417 
C2   C     0.3268  0.2534  0.5857  -0.003584 
C2   C     0.3268  0.3115  0.2534  -0.009413 
C2   C     0.3268  0.3115  0.5277  -0.003129 
C2   C     0.3268  0.3115  0.8019  -0.01762  
C2   C     0.3268  0.4143  0.1981  -0.006866 
C2   C     0.3268  0.4143  0.4723  -0.001261 
C2   C     0.3268  0.4143  0.7466  -0.003588 
C2   C     0.3268  0.4723  0.4143  -0.001261 
C2   C     0.3268  0.4723  0.6885  -0.003127 
C2   C     0.3268  0.5277  0.3115  -0.003127 
C2   C     0.3268  0.5277  0.5857  -0.001261 
C2   C     0.3268  0.5857  0.2534  -0.003589 
C2   C     0.3268  0.5857  0.5277  -0.001261 
C2   C     0.3268  0.5857  0.8019  -0.006866 
C2   C     0.3268  0.6885  0.1981  -0.01762  
C2   C     0.3268  0.6885  0.4723  -0.003123 
C2   C     0.3268  0.6885  0.7466  -0.009416 
C2   C     0.3268  0.7466  0.4143  -0.003589 
C2   C     0.3268  0.7466  0.6885  -0.009411 
C2   C     0.3268  0.8019  0.3115  -0.01762  
C2   C     0.3268  0.8019  0.5857  -0.006864 
C1   C     0.3292  0.2236  0.3292   0.10547  
C1   C     0.3292  0.2236  0.6034   0.11277  
C1   C     0.3292  0.2280  0.3966   0.11715  
C1   C     0.3292  0.2280  0.6708   0.11759  
C1   C     0.3292  0.3292  0.2236   0.10547  
C1   C     0.3292  0.3292  0.4978   0.11900  
C1   C     0.3292  0.3292  0.7720   0.11759  
C1   C     0.3292  0.3966  0.2280   0.11715  
C1   C     0.3292  0.3966  0.5022   0.11901  
C1   C     0.3292  0.3966  0.7764   0.11277  
C1   C     0.3292  0.4978  0.3292   0.11900  
C1   C     0.3292  0.4978  0.6034   0.11901  
C1   C     0.3292  0.5022  0.3966   0.11901  
C1   C     0.3292  0.5022  0.6708   0.11900  
C1   C     0.3292  0.6034  0.2236   0.11277  
C1   C     0.3292  0.6034  0.4978   0.11901  
C1   C     0.3292  0.6034  0.7720   0.11715  
C1   C     0.3292  0.6708  0.2280   0.11759  
C1   C     0.3292  0.6708  0.5022   0.11900  
C1   C     0.3292  0.6708  0.7764   0.10547  
C1   C     0.3292  0.7720  0.3292   0.11759  
C1   C     0.3292  0.7720  0.6034   0.11715  
C1   C     0.3292  0.7764  0.3966   0.11277  
C1   C     0.3292  0.7764  0.6708   0.10547  
H2   H     0.3294  0.1871  0.4242  -0.01110  
H2   H     0.3294  0.1871  0.6984  -0.03306  
H2   H     0.3294  0.2645  0.3016   0.001126 
H2   H     0.3294  0.2645  0.5758   0.004036 
H2   H     0.3294  0.3016  0.2645   0.001126 
H2   H     0.3294  0.3016  0.5387   0.004776 
H2   H     0.3294  0.3016  0.8129  -0.03306  
H2   H     0.3294  0.4242  0.1871  -0.01110  
H2   H     0.3294  0.4242  0.4613   0.005876 
H2   H     0.3294  0.4242  0.7355   0.004039 
H2   H     0.3294  0.4613  0.4242   0.005876 
H2   H     0.3294  0.4613  0.6984   0.004779 
H2   H     0.3294  0.5387  0.3016   0.004778 
H2   H     0.3294  0.5387  0.5758   0.005876 
H2   H     0.3294  0.5758  0.2645   0.004038 
H2   H     0.3294  0.5758  0.5387   0.005876 
H2   H     0.3294  0.5758  0.8129  -0.01110  
H2   H     0.3294  0.6984  0.1871  -0.03306  
H2   H     0.3294  0.6984  0.4613   0.004773 
H2   H     0.3294  0.6984  0.7355   0.001129 
H2   H     0.3294  0.7355  0.4242   0.004033 
H2   H     0.3294  0.7355  0.6984   0.001129 
H2   H     0.3294  0.8129  0.3016  -0.03306  
H2   H     0.3294  0.8129  0.5758  -0.01110  
C2   C     0.3352  0.1744  0.5361  -0.01665  
C2   C     0.3352  0.1897  0.5514  -0.007086 
C2   C     0.3352  0.2618  0.4486  -0.003536 
C2   C     0.3352  0.2618  0.7228  -0.01335  
C2   C     0.3352  0.2772  0.4639  -0.003615 
C2   C     0.3352  0.2772  0.7382  -0.01335  
C2   C     0.3352  0.4486  0.2618  -0.003532 
C2   C     0.3352  0.4486  0.5361  -0.001792 
C2   C     0.3352  0.4486  0.8103  -0.007085 
C2   C     0.3352  0.4639  0.2772  -0.003611 
C2   C     0.3352  0.4639  0.5514  -0.001792 
C2   C     0.3352  0.4639  0.8256  -0.01665  
C2   C     0.3352  0.5361  0.1744  -0.01665  
C2   C     0.3352  0.5361  0.4486  -0.001792 
C2   C     0.3352  0.5361  0.7228  -0.003612 
C2   C     0.3352  0.5514  0.1897  -0.007087 
C2   C     0.3352  0.5514  0.4639  -0.001792 
C2   C     0.3352  0.5514  0.7382  -0.003533 
C2   C     0.3352  0.7228  0.2618  -0.01335  
C2   C     0.3352  0.7228  0.5361  -0.003619 
C2   C     0.3352  0.7382  0.2772  -0.01335  
C2   C     0.3352  0.7382  0.5514  -0.00353  
C2   C     0.3352  0.8103  0.4486  -0.007095 
C2   C     0.3352  0.8256  0.4639  -0.01665  
C3m  C     0.3371  0.2023  0.3371  -0.19553  
C3m  C     0.3371  0.2023  0.6114  -0.17165  
C3m  C     0.3371  0.2492  0.3886  -0.13961  
C3m  C     0.3371  0.2492  0.6629  -0.14168  
C3m  C     0.3371  0.3371  0.2023  -0.19553  
C3m  C     0.3371  0.3371  0.4766  -0.13792  
C3m  C     0.3371  0.3371  0.7508  -0.14168  
C3m  C     0.3371  0.3886  0.2492  -0.13961  
C3m  C     0.3371  0.3886  0.5234  -0.13748  
C3m  C     0.3371  0.3886  0.7977  -0.17165  
C3m  C     0.3371  0.4766  0.3371  -0.13792  
C3m  C     0.3371  0.4766  0.6114  -0.13748  
C3m  C     0.3371  0.5234  0.3886  -0.13748  
C3m  C     0.3371  0.5234  0.6629  -0.13792  
C3m  C     0.3371  0.6114  0.2023  -0.17165  
C3m  C     0.3371  0.6114  0.4766  -0.13748  
C3m  C     0.3371  0.6114  0.7508  -0.13961  
C3m  C     0.3371  0.6629  0.2492  -0.14168  
C3m  C     0.3371  0.6629  0.5234  -0.13792  
C3m  C     0.3371  0.6629  0.7977  -0.19553  
C3m  C     0.3371  0.7508  0.3371  -0.14168  
C3m  C     0.3371  0.7508  0.6114  -0.13961  
C3m  C     0.3371  0.7977  0.3886  -0.17165  
C3m  C     0.3371  0.7977  0.6629  -0.19553  
N1   N     0.3381  0.2171  0.4130  -0.29287  
N1   N     0.3381  0.2171  0.6872  -0.30808  
N1   N     0.3381  0.2345  0.3128  -0.30607  
N1   N     0.3381  0.2345  0.5870  -0.29160  
N1   N     0.3381  0.3128  0.2345  -0.30607  
N1   N     0.3381  0.3128  0.5087  -0.28986  
N1   N     0.3381  0.3128  0.7829  -0.30808  
N1   N     0.3381  0.4130  0.2171  -0.29287  
N1   N     0.3381  0.4130  0.4913  -0.29019  
N1   N     0.3381  0.4130  0.7655  -0.29160  
N1   N     0.3381  0.4913  0.4130  -0.29019  
N1   N     0.3381  0.4913  0.6872  -0.28986  
N1   N     0.3381  0.5087  0.3128  -0.28986  
N1   N     0.3381  0.5087  0.5870  -0.29019  
N1   N     0.3381  0.5870  0.2345  -0.29160  
N1   N     0.3381  0.5870  0.5087  -0.29019  
N1   N     0.3381  0.5870  0.7829  -0.29287  
N1   N     0.3381  0.6872  0.2171  -0.30808  
N1   N     0.3381  0.6872  0.4913  -0.28986  
N1   N     0.3381  0.6872  0.7655  -0.30607  
N1   N     0.3381  0.7655  0.4130  -0.29160  
N1   N     0.3381  0.7655  0.6872  -0.30607  
N1   N     0.3381  0.7829  0.3128  -0.30808  
N1   N     0.3381  0.7829  0.5870  -0.29287  
C3m  C     0.3395  0.2000  0.4743  -0.16942  
C3m  C     0.3395  0.2515  0.2515  -0.22675  
C3m  C     0.3395  0.2515  0.5257  -0.14655  
C3m  C     0.3395  0.4743  0.2000  -0.16942  
C3m  C     0.3395  0.4743  0.4743  -0.13728  
C3m  C     0.3395  0.4743  0.7485  -0.14655  
C3m  C     0.3395  0.5257  0.2515  -0.14655  
C3m  C     0.3395  0.5257  0.5257  -0.13728  
C3m  C     0.3395  0.5257  0.8000  -0.16942  
C3m  C     0.3395  0.7485  0.4743  -0.14655  
C3m  C     0.3395  0.7485  0.7485  -0.22676  
C3m  C     0.3395  0.8000  0.5257  -0.16942  
N1   N     0.3542  0.1757  0.5248  -0.30695  
N1   N     0.3542  0.2010  0.5501  -0.29208  
N1   N     0.3542  0.2505  0.4499  -0.29061  
N1   N     0.3542  0.2505  0.7241  -0.30992  
N1   N     0.3542  0.2759  0.4752  -0.29037  
N1   N     0.3542  0.2759  0.7495  -0.30992  
N1   N     0.3542  0.4499  0.2505  -0.29061  
N1   N     0.3542  0.4499  0.5248  -0.28940  
N1   N     0.3542  0.4499  0.7990  -0.29208  
N1   N     0.3542  0.4752  0.2759  -0.29037  
N1   N     0.3542  0.4752  0.5501  -0.28940  
N1   N     0.3542  0.4752  0.8243  -0.30695  
N1   N     0.3542  0.5248  0.1757  -0.30695  
N1   N     0.3542  0.5248  0.4499  -0.28940  
N1   N     0.3542  0.5248  0.7241  -0.29037  
N1   N     0.3542  0.5501  0.2010  -0.29208  
N1   N     0.3542  0.5501  0.4752  -0.28940  
N1   N     0.3542  0.5501  0.7495  -0.29061  
N1   N     0.3542  0.7241  0.2505  -0.30992  
N1   N     0.3542  0.7241  0.5248  -0.29037  
N1   N     0.3542  0.7495  0.2759  -0.30992  
N1   N     0.3542  0.7495  0.5501  -0.29061  
N1   N     0.3542  0.7990  0.4499  -0.29208  
N1   N     0.3542  0.8243  0.4752  -0.30695  
C1   C     0.3607  0.1921  0.4663   0.11324  
C1   C     0.3607  0.2595  0.2595   0.10558  
C1   C     0.3607  0.2595  0.5337   0.12003  
C1   C     0.3607  0.4663  0.1921   0.11324  
C1   C     0.3607  0.4663  0.4663   0.11900  
C1   C     0.3607  0.4663  0.7405   0.12003  
C1   C     0.3607  0.5337  0.2595   0.12003  
C1   C     0.3607  0.5337  0.5337   0.11900  
C1   C     0.3607  0.5337  0.8079   0.11324  
C1   C     0.3607  0.7405  0.4663   0.12003  
C1   C     0.3607  0.7405  0.7405   0.10558  
C1   C     0.3607  0.8079  0.5337   0.11324  
Zn1  Zn2+  0.3629  0.2258  0.4314   1.17865  
Zn1  Zn2+  0.3629  0.2258  0.5686   1.17867  
Zn1  Zn2+  0.3629  0.2943  0.5000   1.17912  
Zn1  Zn2+  0.3629  0.4314  0.2258   1.17865  
Zn1  Zn2+  0.3629  0.4314  0.5000   1.17928  
Zn1  Zn2+  0.3629  0.4314  0.7742   1.17867  
Zn1  Zn2+  0.3629  0.5000  0.2943   1.17912  
Zn1  Zn2+  0.3629  0.5000  0.4314   1.17928  
Zn1  Zn2+  0.3629  0.5000  0.5686   1.17928  
Zn1  Zn2+  0.3629  0.5000  0.7057   1.17912  
Zn1  Zn2+  0.3629  0.5686  0.2258   1.17867  
Zn1  Zn2+  0.3629  0.5686  0.5000   1.17928  
Zn1  Zn2+  0.3629  0.5686  0.7742   1.17865  
Zn1  Zn2+  0.3629  0.7057  0.5000   1.17912  
Zn1  Zn2+  0.3629  0.7742  0.4314   1.17867  
Zn1  Zn2+  0.3629  0.7742  0.5686   1.17865  
C1   C     0.3651  0.1921  0.5337   0.11743  
C1   C     0.3651  0.2595  0.4663   0.11819  
C1   C     0.3651  0.2595  0.7405   0.10430  
C1   C     0.3651  0.4663  0.2595   0.11819  
C1   C     0.3651  0.4663  0.5337   0.11901  
C1   C     0.3651  0.4663  0.8079   0.11743  
C1   C     0.3651  0.5337  0.1921   0.11743  
C1   C     0.3651  0.5337  0.4663   0.11901  
C1   C     0.3651  0.5337  0.7405   0.11819  
C1   C     0.3651  0.7405  0.2595   0.10430  
C1   C     0.3651  0.7405  0.5337   0.11819  
C1   C     0.3651  0.8079  0.4663   0.11743  
N1   N     0.3716  0.1757  0.4752  -0.30497  
N1   N     0.3716  0.2010  0.4499  -0.29079  
N1   N     0.3716  0.2505  0.2759  -0.31031  
N1   N     0.3716  0.2505  0.5501  -0.29065  
N1   N     0.3716  0.2759  0.2505  -0.31031  
N1   N     0.3716  0.2759  0.5248  -0.29054  
N1   N     0.3716  0.4499  0.2010  -0.29079  
N1   N     0.3716  0.4499  0.4752  -0.28942  
N1   N     0.3716  0.4499  0.7495  -0.29065  
N1   N     0.3716  0.4752  0.1757  -0.30497  
N1   N     0.3716  0.4752  0.4499  -0.28942  
N1   N     0.3716  0.4752  0.7241  -0.29054  
N1   N     0.3716  0.5248  0.2759  -0.29054  
N1   N     0.3716  0.5248  0.5501  -0.28942  
N1   N     0.3716  0.5248  0.8243  -0.30497  
N1   N     0.3716  0.5501  0.2505  -0.29065  
N1   N     0.3716  0.5501  0.5248  -0.28942  
N1   N     0.3716  0.5501  0.7990  -0.29079  
N1   N     0.3716  0.7241  0.4752  -0.29054  
N1   N     0.3716  0.7241  0.7495  -0.31031  
N1   N     0.3716  0.7495  0.4499  -0.29065  
N1   N     0.3716  0.7495  0.7241  -0.31031  
N1   N     0.3716  0.7990  0.5501  -0.29079  
N1   N     0.3716  0.8243  0.5248  -0.30497  
C3m  C     0.3863  0.2000  0.5257  -0.13979  
C3m  C     0.3863  0.2515  0.4743  -0.13735  
C3m  C     0.3863  0.2515  0.7485  -0.21685  
C3m  C     0.3863  0.4743  0.2515  -0.13735  
C3m  C     0.3863  0.4743  0.5257  -0.13721  
C3m  C     0.3863  0.4743  0.8000  -0.13979  
C3m  C     0.3863  0.5257  0.2000  -0.13979  
C3m  C     0.3863  0.5257  0.4743  -0.13721  
C3m  C     0.3863  0.5257  0.7485  -0.13735  
C3m  C     0.3863  0.7485  0.2515  -0.21685  
C3m  C     0.3863  0.7485  0.5257  -0.13735  
C3m  C     0.3863  0.8000  0.4743  -0.13979  
N1   N     0.3876  0.1388  0.5087  -0.30980  
N1   N     0.3876  0.2171  0.3128  -0.30773  
N1   N     0.3876  0.2171  0.5870  -0.29133  
N1   N     0.3876  0.2345  0.4130  -0.29163  
N1   N     0.3876  0.2345  0.6872  -0.30549  
N1   N     0.3876  0.3128  0.2171  -0.30773  
N1   N     0.3876  0.3128  0.4913  -0.28993  
N1   N     0.3876  0.3128  0.7655  -0.30549  
N1   N     0.3876  0.4130  0.2345  -0.29163  
N1   N     0.3876  0.4130  0.5087  -0.29064  
N1   N     0.3876  0.4130  0.7829  -0.29133  
N1   N     0.3876  0.4913  0.3128  -0.28993  
N1   N     0.3876  0.4913  0.5870  -0.29064  
N1   N     0.3876  0.4913  0.8612  -0.30980  
N1   N     0.3876  0.5087  0.1388  -0.30980  
N1   N     0.3876  0.5087  0.4130  -0.29064  
N1   N     0.3876  0.5087  0.6872  -0.28993  
N1   N     0.3876  0.5870  0.2171  -0.29133  
N1   N     0.3876  0.5870  0.4913  -0.29064  
N1   N     0.3876  0.5870  0.7655  -0.29163  
N1   N     0.3876  0.6872  0.2345  -0.30549  
N1   N     0.3876  0.6872  0.5087  -0.28993  
N1   N     0.3876  0.6872  0.7829  -0.30773  
N1   N     0.3876  0.7655  0.3128  -0.30549  
N1   N     0.3876  0.7655  0.5870  -0.29163  
N1   N     0.3876  0.7829  0.4130  -0.29133  
N1   N     0.3876  0.7829  0.6872  -0.30773  
N1   N     0.3876  0.8612  0.4913  -0.30980  
C3m  C     0.3886  0.1144  0.4766  -0.22254  
C3m  C     0.3886  0.2023  0.3886  -0.15161  
C3m  C     0.3886  0.2023  0.6629  -0.17165  
C3m  C     0.3886  0.2492  0.3371  -0.13961  
C3m  C     0.3886  0.2492  0.6114  -0.13732  
C3m  C     0.3886  0.3371  0.2492  -0.13961  
C3m  C     0.3886  0.3371  0.5234  -0.13748  
C3m  C     0.3886  0.3371  0.7977  -0.17165  
C3m  C     0.3886  0.3886  0.2023  -0.15161  
C3m  C     0.3886  0.3886  0.4766  -0.13738  
C3m  C     0.3886  0.3886  0.7508  -0.13732  
C3m  C     0.3886  0.4766  0.1144  -0.22254  
C3m  C     0.3886  0.4766  0.3886  -0.13738  
C3m  C     0.3886  0.4766  0.6629  -0.13748  
C3m  C     0.3886  0.5234  0.3371  -0.13748  
C3m  C     0.3886  0.5234  0.6114  -0.13738  
C3m  C     0.3886  0.5234  0.8856  -0.22254  
C3m  C     0.3886  0.6114  0.2492  -0.13732  
C3m  C     0.3886  0.6114  0.5234  -0.13738  
C3m  C     0.3886  0.6114  0.7977  -0.15161  
C3m  C     0.3886  0.6629  0.2023  -0.17165  
C3m  C     0.3886  0.6629  0.4766  -0.13748  
C3m  C     0.3886  0.6629  0.7508  -0.13961  
C3m  C     0.3886  0.7508  0.3886  -0.13732  
C3m  C     0.3886  0.7508  0.6629  -0.13961  
C3m  C     0.3886  0.7977  0.3371  -0.17165  
C3m  C     0.3886  0.7977  0.6114  -0.15161  
C3m  C     0.3886  0.8856  0.5234  -0.22254  
C2   C     0.3906  0.1744  0.4639  -0.007786 
C2   C     0.3906  0.1897  0.4486  -0.005726 
C2   C     0.3906  0.2618  0.2772  -0.01244  
C2   C     0.3906  0.2618  0.5514  -0.002119 
C2   C     0.3906  0.2772  0.2618  -0.01244  
C2   C     0.3906  0.2772  0.5361  -0.00172  
C2   C     0.3906  0.4486  0.1897  -0.005728 
C2   C     0.3906  0.4486  0.4639  -0.001789 
C2   C     0.3906  0.4486  0.7382  -0.002118 
C2   C     0.3906  0.4639  0.1744  -0.007785 
C2   C     0.3906  0.4639  0.4486  -0.001789 
C2   C     0.3906  0.4639  0.7228  -0.00172  
C2   C     0.3906  0.5361  0.2772  -0.00172  
C2   C     0.3906  0.5361  0.5514  -0.001789 
C2   C     0.3906  0.5361  0.8256  -0.007789 
C2   C     0.3906  0.5514  0.2618  -0.002118 
C2   C     0.3906  0.5514  0.5361  -0.001789 
C2   C     0.3906  0.5514  0.8103  -0.005721 
C2   C     0.3906  0.7228  0.4639  -0.001721 
C2   C     0.3906  0.7228  0.7382  -0.01244  
C2   C     0.3906  0.7382  0.4486  -0.002119 
C2   C     0.3906  0.7382  0.7228  -0.01244  
C2   C     0.3906  0.8103  0.5514  -0.005723 
C2   C     0.3906  0.8256  0.5361  -0.007783 
H2   H     0.3964  0.1499  0.5387  -0.00106  
H2   H     0.3964  0.1871  0.3016  -0.03164  
H2   H     0.3964  0.1871  0.5758   0.000988 
H2   H     0.3964  0.2645  0.4242   0.00578  
H2   H     0.3964  0.2645  0.6984   0.003098 
H2   H     0.3964  0.3016  0.1871  -0.03164  
H2   H     0.3964  0.3016  0.4613   0.006491 
H2   H     0.3964  0.3016  0.7355   0.003099 
H2   H     0.3964  0.4242  0.2645   0.00578  
H2   H     0.3964  0.4242  0.5387   0.006318 
H2   H     0.3964  0.4242  0.8129   0.0009842
H2   H     0.3964  0.4613  0.3016   0.006491 
H2   H     0.3964  0.4613  0.5758   0.006318 
H2   H     0.3964  0.4613  0.8501  -0.001061 
H2   H     0.3964  0.5387  0.1499  -0.001065 
H2   H     0.3964  0.5387  0.4242   0.006318 
H2   H     0.3964  0.5387  0.6984   0.006491 
H2   H     0.3964  0.5758  0.1871   0.0009898
H2   H     0.3964  0.5758  0.4613   0.006318 
H2   H     0.3964  0.5758  0.7355   0.00578  
H2   H     0.3964  0.6984  0.2645   0.003093 
H2   H     0.3964  0.6984  0.5387   0.006491 
H2   H     0.3964  0.6984  0.8129  -0.03164  
H2   H     0.3964  0.7355  0.3016   0.003093 
H2   H     0.3964  0.7355  0.5758   0.00578  
H2   H     0.3964  0.8129  0.4242   0.000985 
H2   H     0.3964  0.8129  0.6984  -0.03164  
H2   H     0.3964  0.8501  0.4613  -0.001063 
C1   C     0.3966  0.1224  0.4978   0.10485  
C1   C     0.3966  0.2236  0.3966   0.11962  
C1   C     0.3966  0.2236  0.6708   0.11277  
C1   C     0.3966  0.2280  0.3292   0.11715  
C1   C     0.3966  0.2280  0.6034   0.11766  
C1   C     0.3966  0.3292  0.2280   0.11715  
C1   C     0.3966  0.3292  0.5022   0.11901  
C1   C     0.3966  0.3292  0.7764   0.11277  
C1   C     0.3966  0.3966  0.2236   0.11962  
C1   C     0.3966  0.3966  0.4978   0.11833  
C1   C     0.3966  0.3966  0.7720   0.11766  
C1   C     0.3966  0.4978  0.1224   0.10485  
C1   C     0.3966  0.4978  0.3966   0.11833  
C1   C     0.3966  0.4978  0.6708   0.11901  
C1   C     0.3966  0.5022  0.3292   0.11901  
C1   C     0.3966  0.5022  0.6034   0.11833  
C1   C     0.3966  0.5022  0.8776   0.10485  
C1   C     0.3966  0.6034  0.2280   0.11766  
C1   C     0.3966  0.6034  0.5022   0.11833  
C1   C     0.3966  0.6034  0.7764   0.11962  
C1   C     0.3966  0.6708  0.2236   0.11277  
C1   C     0.3966  0.6708  0.4978   0.11901  
C1   C     0.3966  0.6708  0.7720   0.11715  
C1   C     0.3966  0.7720  0.3966   0.11766  
C1   C     0.3966  0.7720  0.6708   0.11715  
C1   C     0.3966  0.7764  0.3292   0.11277  
C1   C     0.3966  0.7764  0.6034   0.11962  
C1   C     0.3966  0.8776  0.5022   0.10485  
C2   C     0.3990  0.1401  0.5277  -0.01395  
C2   C     0.3990  0.1981  0.3115  -0.01805  
C2   C     0.3990  0.1981  0.5857  -0.00468  
C2   C     0.3990  0.2534  0.4143  -0.001322 
C2   C     0.3990  0.2534  0.6885  -0.007214 
C2   C     0.3990  0.3115  0.1981  -0.01805  
C2   C     0.3990  0.3115  0.4723  -0.002735 
C2   C     0.3990  0.3115  0.7466  -0.00721  
C2   C     0.3990  0.4143  0.2534  -0.001321 
C2   C     0.3990  0.4143  0.5277  -0.002161 
C2   C     0.3990  0.4143  0.8019  -0.00468  
C2   C     0.3990  0.4723  0.3115  -0.002735 
C2   C     0.3990  0.4723  0.5857  -0.002161 
C2   C     0.3990  0.4723  0.8599  -0.01395  
C2   C     0.3990  0.5277  0.1401  -0.01395  
C2   C     0.3990  0.5277  0.4143  -0.002161 
C2   C     0.3990  0.5277  0.6885  -0.002735 
C2   C     0.3990  0.5857  0.1981  -0.004683 
C2   C     0.3990  0.5857  0.4723  -0.002161 
C2   C     0.3990  0.5857  0.7466  -0.001321 
C2   C     0.3990  0.6885  0.2534  -0.007218 
C2   C     0.3990  0.6885  0.5277  -0.002736 
C2   C     0.3990  0.6885  0.8019  -0.01805  
C2   C     0.3990  0.7466  0.3115  -0.007213 
C2   C     0.3990  0.7466  0.5857  -0.001323 
C2   C     0.3990  0.8019  0.4143  -0.004683 
C2   C     0.3990  0.8019  0.6885  -0.01805  
C2   C     0.3990  0.8599  0.4723  -0.01395  
H2   H     0.4016  0.1645  0.4665   0.00236  
H2   H     0.4016  0.1923  0.4387   0.003922 
H2   H     0.4016  0.2593  0.2871  -0.0004122
H2   H     0.4016  0.2593  0.5613   0.006226 
H2   H     0.4016  0.2871  0.2593  -0.0004195
H2   H     0.4016  0.2871  0.5335   0.006053 
H2   H     0.4016  0.4387  0.1923   0.003928 
H2   H     0.4016  0.4387  0.4665   0.006086 
H2   H     0.4016  0.4387  0.7407   0.006226 
H2   H     0.4016  0.4665  0.1645   0.002367 
H2   H     0.4016  0.4665  0.4387   0.006086 
H2   H     0.4016  0.4665  0.7129   0.006053 
H2   H     0.4016  0.5335  0.2871   0.006053 
H2   H     0.4016  0.5335  0.5613   0.006086 
H2   H     0.4016  0.5335  0.8355   0.002364 
H2   H     0.4016  0.5613  0.2593   0.006226 
H2   H     0.4016  0.5613  0.5335   0.006086 
H2   H     0.4016  0.5613  0.8077   0.003925 
H2   H     0.4016  0.7129  0.4665   0.006052 
H2   H     0.4016  0.7129  0.7407  -0.0004143
H2   H     0.4016  0.7407  0.4387   0.006225 
H2   H     0.4016  0.7407  0.7129  -0.0004121
H2   H     0.4016  0.8077  0.5613   0.003925 
H2   H     0.4016  0.8355  0.5335   0.002363 
N1   N     0.4130  0.1134  0.5087  -0.31081  
N1   N     0.4130  0.2171  0.3381  -0.29287  
N1   N     0.4130  0.2171  0.6124  -0.29133  
N1   N     0.4130  0.2345  0.3876  -0.29163  
N1   N     0.4130  0.2345  0.6619  -0.29160  
N1   N     0.4130  0.3381  0.2171  -0.29287  
N1   N     0.4130  0.3381  0.4913  -0.29019  
N1   N     0.4130  0.3381  0.7655  -0.29160  
N1   N     0.4130  0.3876  0.2345  -0.29163  
N1   N     0.4130  0.3876  0.5087  -0.29064  
N1   N     0.4130  0.3876  0.7829  -0.29133  
N1   N     0.4130  0.4913  0.3381  -0.29019  
N1   N     0.4130  0.4913  0.6124  -0.29064  
N1   N     0.4130  0.4913  0.8866  -0.31081  
N1   N     0.4130  0.5087  0.1134  -0.31081  
N1   N     0.4130  0.5087  0.3876  -0.29064  
N1   N     0.4130  0.5087  0.6619  -0.29019  
N1   N     0.4130  0.6124  0.2171  -0.29133  
N1   N     0.4130  0.6124  0.4913  -0.29064  
N1   N     0.4130  0.6124  0.7655  -0.29163  
N1   N     0.4130  0.6619  0.2345  -0.29160  
N1   N     0.4130  0.6619  0.5087  -0.29019  
N1   N     0.4130  0.6619  0.7829  -0.29287  
N1   N     0.4130  0.7655  0.3381  -0.29160  
N1   N     0.4130  0.7655  0.6124  -0.29163  
N1   N     0.4130  0.7829  0.3876  -0.29133  
N1   N     0.4130  0.7829  0.6619  -0.29287  
N1   N     0.4130  0.8866  0.4913  -0.31081  
C2   C     0.4143  0.1247  0.5277  -0.01240  
C2   C     0.4143  0.1981  0.3268  -0.006869 
C2   C     0.4143  0.1981  0.6010  -0.004688 
C2   C     0.4143  0.2534  0.3990  -0.001321 
C2   C     0.4143  0.2534  0.6732  -0.003588 
C2   C     0.4143  0.3268  0.1981  -0.006866 
C2   C     0.4143  0.3268  0.4723  -0.001261 
C2   C     0.4143  0.3268  0.7466  -0.003585 
C2   C     0.4143  0.3990  0.2534  -0.001321 
C2   C     0.4143  0.3990  0.5277  -0.002161 
C2   C     0.4143  0.3990  0.8019  -0.00468  
C2   C     0.4143  0.4723  0.3268  -0.001261 
C2   C     0.4143  0.4723  0.6010  -0.002161 
C2   C     0.4143  0.4723  0.8753  -0.01240  
C2   C     0.4143  0.5277  0.1247  -0.01240  
C2   C     0.4143  0.5277  0.3990  -0.002161 
C2   C     0.4143  0.5277  0.6732  -0.001261 
C2   C     0.4143  0.6010  0.1981  -0.004682 
C2   C     0.4143  0.6010  0.4723  -0.002161 
C2   C     0.4143  0.6010  0.7466  -0.001321 
C2   C     0.4143  0.6732  0.2534  -0.003582 
C2   C     0.4143  0.6732  0.5277  -0.001261 
C2   C     0.4143  0.6732  0.8019  -0.00686  
C2   C     0.4143  0.7466  0.3268  -0.003587 
C2   C     0.4143  0.7466  0.6010  -0.001322 
C2   C     0.4143  0.8019  0.3990  -0.00468  
C2   C     0.4143  0.8019  0.6732  -0.006863 
C2   C     0.4143  0.8753  0.4723  -0.01240  
H2   H     0.4242  0.1222  0.5387  -0.003063 
H2   H     0.4242  0.1871  0.3294  -0.01110  
H2   H     0.4242  0.1871  0.6036   0.0009819
H2   H     0.4242  0.2645  0.3964   0.00578  
H2   H     0.4242  0.2645  0.6706   0.004034 
H2   H     0.4242  0.3294  0.1871  -0.01110  
H2   H     0.4242  0.3294  0.4613   0.005876 
H2   H     0.4242  0.3294  0.7355   0.004034 
H2   H     0.4242  0.3964  0.2645   0.00578  
H2   H     0.4242  0.3964  0.5387   0.006318 
H2   H     0.4242  0.3964  0.8129   0.0009825
H2   H     0.4242  0.4613  0.3294   0.005876 
H2   H     0.4242  0.4613  0.6036   0.006318 
H2   H     0.4242  0.4613  0.8778  -0.003066 
H2   H     0.4242  0.5387  0.1222  -0.003062 
H2   H     0.4242  0.5387  0.3964   0.006318 
H2   H     0.4242  0.5387  0.6706   0.005876 
H2   H     0.4242  0.6036  0.1871   0.000986 
H2   H     0.4242  0.6036  0.4613   0.006318 
H2   H     0.4242  0.6036  0.7355   0.00578  
H2   H     0.4242  0.6706  0.2645   0.004039 
H2   H     0.4242  0.6706  0.5387   0.005875 
H2   H     0.4242  0.6706  0.8129  -0.01110  
H2   H     0.4242  0.7355  0.3294   0.004038 
H2   H     0.4242  0.7355  0.6036   0.00578  
H2   H     0.4242  0.8129  0.3964   0.0009864
H2   H     0.4242  0.8129  0.6706  -0.01110  
H2   H     0.4242  0.8778  0.4613  -0.003066 
Zn1  Zn2+  0.4314  0.2258  0.3629   1.17865  
Zn1  Zn2+  0.4314  0.2258  0.6371   1.17867  
Zn1  Zn2+  0.4314  0.3629  0.2258   1.17865  
Zn1  Zn2+  0.4314  0.3629  0.5000   1.17928  
Zn1  Zn2+  0.4314  0.3629  0.7742   1.17867  
Zn1  Zn2+  0.4314  0.5000  0.3629   1.17928  
Zn1  Zn2+  0.4314  0.5000  0.6371   1.17928  
Zn1  Zn2+  0.4314  0.6371  0.2258   1.17867  
Zn1  Zn2+  0.4314  0.6371  0.5000   1.17928  
Zn1  Zn2+  0.4314  0.6371  0.7742   1.17865  
Zn1  Zn2+  0.4314  0.7742  0.3629   1.17867  
Zn1  Zn2+  0.4314  0.7742  0.6371   1.17865  
H2   H     0.4387  0.0500  0.5335  -0.03567  
H2   H     0.4387  0.1274  0.4665   0.001776 
H2   H     0.4387  0.1923  0.4016   0.003921 
H2   H     0.4387  0.1923  0.6758  -0.01017  
H2   H     0.4387  0.2593  0.3242   0.001991 
H2   H     0.4387  0.2593  0.5984   0.006226 
H2   H     0.4387  0.3242  0.2593   0.001993 
H2   H     0.4387  0.3242  0.5335   0.006089 
H2   H     0.4387  0.3242  0.8077  -0.01017  
H2   H     0.4387  0.4016  0.1923   0.003928 
H2   H     0.4387  0.4016  0.4665   0.006086 
H2   H     0.4387  0.4016  0.7407   0.006226 
H2   H     0.4387  0.4665  0.1274   0.001774 
H2   H     0.4387  0.4665  0.4016   0.006086 
H2   H     0.4387  0.4665  0.6758   0.006089 
H2   H     0.4387  0.4665  0.9500  -0.03567  
H2   H     0.4387  0.5335  0.0500  -0.03567  
H2   H     0.4387  0.5335  0.3242   0.006089 
H2   H     0.4387  0.5335  0.5984   0.006086 
H2   H     0.4387  0.5335  0.8726   0.001771 
H2   H     0.4387  0.5984  0.2593   0.006226 
H2   H     0.4387  0.5984  0.5335   0.006086 
H2   H     0.4387  0.5984  0.8077   0.003925 
H2   H     0.4387  0.6758  0.1923  -0.01017  
H2   H     0.4387  0.6758  0.4665   0.006088 
H2   H     0.4387  0.6758  0.7407   0.001991 
H2   H     0.4387  0.7407  0.4016   0.006225 
H2   H     0.4387  0.7407  0.6758   0.001992 
H2   H     0.4387  0.8077  0.3242  -0.01017  
H2   H     0.4387  0.8077  0.5984   0.003923 
H2   H     0.4387  0.8726  0.5335   0.001778 
H2   H     0.4387  0.9500  0.4665  -0.03567  
C2   C     0.4486  0.0610  0.5361  -0.01834  
C2   C     0.4486  0.1163  0.4639  -0.008924 
C2   C     0.4486  0.1897  0.3906  -0.005728 
C2   C     0.4486  0.1897  0.6648  -0.007097 
C2   C     0.4486  0.2618  0.3352  -0.003539 
C2   C     0.4486  0.2618  0.6094  -0.002119 
C2   C     0.4486  0.3352  0.2618  -0.003537 
C2   C     0.4486  0.3352  0.5361  -0.001792 
C2   C     0.4486  0.3352  0.8103  -0.007089 
C2   C     0.4486  0.3906  0.1897  -0.005729 
C2   C     0.4486  0.3906  0.4639  -0.001789 
C2   C     0.4486  0.3906  0.7382  -0.002119 
C2   C     0.4486  0.4639  0.1163  -0.008925 
C2   C     0.4486  0.4639  0.3906  -0.001789 
C2   C     0.4486  0.4639  0.6648  -0.001792 
C2   C     0.4486  0.4639  0.9390  -0.01834  
C2   C     0.4486  0.5361  0.0610  -0.01834  
C2   C     0.4486  0.5361  0.3352  -0.001792 
C2   C     0.4486  0.5361  0.6094  -0.001789 
C2   C     0.4486  0.5361  0.8837  -0.00892  
C2   C     0.4486  0.6094  0.2618  -0.002119 
C2   C     0.4486  0.6094  0.5361  -0.001789 
C2   C     0.4486  0.6094  0.8103  -0.005727 
C2   C     0.4486  0.6648  0.1897  -0.00709  
C2   C     0.4486  0.6648  0.4639  -0.001792 
C2   C     0.4486  0.6648  0.7382  -0.003536 
C2   C     0.4486  0.7382  0.3906  -0.00211  
C2   C     0.4486  0.7382  0.6648  -0.003534 
C2   C     0.4486  0.8103  0.3352  -0.007095 
C2   C     0.4486  0.8103  0.6094  -0.005723 
C2   C     0.4486  0.8837  0.5361  -0.008923 
C2   C     0.4486  0.9390  0.4639  -0.01834  
N1   N     0.4499  0.0800  0.5248  -0.30857  
N1   N     0.4499  0.0974  0.4752  -0.30606  
N1   N     0.4499  0.2010  0.3716  -0.29079  
N1   N     0.4499  0.2010  0.6458  -0.29208  
N1   N     0.4499  0.2505  0.3542  -0.29061  
N1   N     0.4499  0.2505  0.6284  -0.29065  
N1   N     0.4499  0.3542  0.2505  -0.29061  
N1   N     0.4499  0.3542  0.5248  -0.28940  
N1   N     0.4499  0.3542  0.7990  -0.29208  
N1   N     0.4499  0.3716  0.2010  -0.29079  
N1   N     0.4499  0.3716  0.4752  -0.28942  
N1   N     0.4499  0.3716  0.7495  -0.29065  
N1   N     0.4499  0.4752  0.0974  -0.30606  
N1   N     0.4499  0.4752  0.3716  -0.28942  
N1   N     0.4499  0.4752  0.6458  -0.28940  
N1   N     0.4499  0.4752  0.9200  -0.30857  
N1   N     0.4499  0.5248  0.0800  -0.30857  
N1   N     0.4499  0.5248  0.3542  -0.28940  
N1   N     0.4499  0.5248  0.6284  -0.28942  
N1   N     0.4499  0.5248  0.9026  -0.30606  
N1   N     0.4499  0.6284  0.2505  -0.29065  
N1   N     0.4499  0.6284  0.5248  -0.28942  
N1   N     0.4499  0.6284  0.7990  -0.29079  
N1   N     0.4499  0.6458  0.2010  -0.29208  
N1   N     0.4499  0.6458  0.4752  -0.28940  
N1   N     0.4499  0.6458  0.7495  -0.29061  
N1   N     0.4499  0.7495  0.3716  -0.29065  
N1   N     0.4499  0.7495  0.6458  -0.29061  
N1   N     0.4499  0.7990  0.3542  -0.29208  
N1   N     0.4499  0.7990  0.6284  -0.29079  
N1   N     0.4499  0.9026  0.5248  -0.30606  
N1   N     0.4499  0.9200  0.4752  -0.30857  
H2   H     0.4613  0.1222  0.5758  -0.003069 
H2   H     0.4613  0.1499  0.6036  -0.001061 
H2   H     0.4613  0.3016  0.3964   0.006491 
H2   H     0.4613  0.3016  0.6706   0.004774 
H2   H     0.4613  0.3294  0.4242   0.005876 
H2   H     0.4613  0.3294  0.6984   0.004775 
H2   H     0.4613  0.3964  0.3016   0.006491 
H2   H     0.4613  0.3964  0.5758   0.006318 
H2   H     0.4613  0.3964  0.8501  -0.001064 
H2   H     0.4613  0.4242  0.3294   0.005876 
H2   H     0.4613  0.4242  0.6036   0.006318 
H2   H     0.4613  0.4242  0.8778  -0.003066 
H2   H     0.4613  0.5758  0.1222  -0.003064 
H2   H     0.4613  0.5758  0.3964   0.006318 
H2   H     0.4613  0.5758  0.6706   0.005876 
H2   H     0.4613  0.6036  0.1499  -0.001063 
H2   H     0.4613  0.6036  0.4242   0.006318 
H2   H     0.4613  0.6036  0.6984   0.006491 
H2   H     0.4613  0.6706  0.3016   0.00477  
H2   H     0.4613  0.6706  0.5758   0.005875 
H2   H     0.4613  0.6984  0.3294   0.004779 
H2   H     0.4613  0.6984  0.6036   0.006491 
H2   H     0.4613  0.8501  0.3964  -0.001061 
H2   H     0.4613  0.8778  0.4242  -0.003073 
C2   C     0.4639  0.0610  0.5514  -0.01834  
C2   C     0.4639  0.1163  0.4486  -0.008929 
C2   C     0.4639  0.1744  0.3906  -0.007784 
C2   C     0.4639  0.1744  0.6648  -0.01665  
C2   C     0.4639  0.2772  0.3352  -0.003617 
C2   C     0.4639  0.2772  0.6094  -0.00172  
C2   C     0.4639  0.3352  0.2772  -0.003615 
C2   C     0.4639  0.3352  0.5514  -0.001792 
C2   C     0.4639  0.3352  0.8256  -0.01665  
C2   C     0.4639  0.3906  0.1744  -0.007788 
C2   C     0.4639  0.3906  0.4486  -0.001789 
C2   C     0.4639  0.3906  0.7228  -0.00172  
C2   C     0.4639  0.4486  0.1163  -0.008926 
C2   C     0.4639  0.4486  0.3906  -0.001789 
C2   C     0.4639  0.4486  0.6648  -0.001792 
C2   C     0.4639  0.4486  0.9390  -0.01834  
C2   C     0.4639  0.5514  0.0610  -0.01834  
C2   C     0.4639  0.5514  0.3352  -0.001792 
C2   C     0.4639  0.5514  0.6094  -0.001789 
C2   C     0.4639  0.5514  0.8837  -0.008924 
C2   C     0.4639  0.6094  0.2772  -0.00172  
C2   C     0.4639  0.6094  0.5514  -0.001789 
C2   C     0.4639  0.6094  0.8256  -0.007789 
C2   C     0.4639  0.6648  0.1744  -0.01665  
C2   C     0.4639  0.6648  0.4486  -0.001792 
C2   C     0.4639  0.6648  0.7228  -0.003615 
C2   C     0.4639  0.7228  0.3906  -0.001721 
C2   C     0.4639  0.7228  0.6648  -0.003612 
C2   C     0.4639  0.8256  0.3352  -0.01665  
C2   C     0.4639  0.8256  0.6094  -0.007784 
C2   C     0.4639  0.8837  0.5514  -0.008929 
C2   C     0.4639  0.9390  0.4486  -0.01834  
C1   C     0.4663  0.0865  0.4663   0.10505  
C1   C     0.4663  0.0909  0.5337   0.11693  
C1   C     0.4663  0.1921  0.3607   0.11324  
C1   C     0.4663  0.1921  0.6349   0.11743  
C1   C     0.4663  0.2595  0.3651   0.11819  
C1   C     0.4663  0.2595  0.6393   0.12003  
C1   C     0.4663  0.3607  0.1921   0.11324  
C1   C     0.4663  0.3607  0.4663   0.11900  
C1   C     0.4663  0.3607  0.7405   0.12003  
C1   C     0.4663  0.3651  0.2595   0.11819  
C1   C     0.4663  0.3651  0.5337   0.11901  
C1   C     0.4663  0.3651  0.8079   0.11743  
C1   C     0.4663  0.4663  0.0865   0.10505  
C1   C     0.4663  0.4663  0.3607   0.11900  
C1   C     0.4663  0.4663  0.6349   0.11901  
C1   C     0.4663  0.4663  0.9091   0.11693  
C1   C     0.4663  0.5337  0.0909   0.11693  
C1   C     0.4663  0.5337  0.3651   0.11901  
C1   C     0.4663  0.5337  0.6393   0.11900  
C1   C     0.4663  0.5337  0.9135   0.10505  
C1   C     0.4663  0.6349  0.1921   0.11743  
C1   C     0.4663  0.6349  0.4663   0.11901  
C1   C     0.4663  0.6349  0.7405   0.11819  
C1   C     0.4663  0.6393  0.2595   0.12003  
C1   C     0.4663  0.6393  0.5337   0.11900  
C1   C     0.4663  0.6393  0.8079   0.11324  
C1   C     0.4663  0.7405  0.3607   0.12003  
C1   C     0.4663  0.7405  0.6349   0.11819  
C1   C     0.4663  0.8079  0.3651   0.11743  
C1   C     0.4663  0.8079  0.6393   0.11324  
C1   C     0.4663  0.9091  0.4663   0.11693  
C1   C     0.4663  0.9135  0.5337   0.10505  
H2   H     0.4665  0.0500  0.5613  -0.03567  
H2   H     0.4665  0.1274  0.4387   0.001776 
H2   H     0.4665  0.1645  0.4016   0.00236  
H2   H     0.4665  0.1645  0.6758  -0.03062  
H2   H     0.4665  0.2871  0.3242   0.003667 
H2   H     0.4665  0.2871  0.5984   0.006053 
H2   H     0.4665  0.3242  0.2871   0.003667 
H2   H     0.4665  0.3242  0.5613   0.006089 
H2   H     0.4665  0.3242  0.8355  -0.03062  
H2   H     0.4665  0.4016  0.1645   0.002367 
H2   H     0.4665  0.4016  0.4387   0.006086 
H2   H     0.4665  0.4016  0.7129   0.006053 
H2   H     0.4665  0.4387  0.1274   0.001774 
H2   H     0.4665  0.4387  0.4016   0.006086 
H2   H     0.4665  0.4387  0.6758   0.006089 
H2   H     0.4665  0.4387  0.9500  -0.03567  
H2   H     0.4665  0.5613  0.0500  -0.03567  
H2   H     0.4665  0.5613  0.3242   0.006089 
H2   H     0.4665  0.5613  0.5984   0.006086 
H2   H     0.4665  0.5613  0.8726   0.001771 
H2   H     0.4665  0.5984  0.2871   0.006053 
H2   H     0.4665  0.5984  0.5613   0.006086 
H2   H     0.4665  0.5984  0.8355   0.002362 
H2   H     0.4665  0.6758  0.1645  -0.03062  
H2   H     0.4665  0.6758  0.4387   0.006087 
H2   H     0.4665  0.6758  0.7129   0.003665 
H2   H     0.4665  0.7129  0.4016   0.006052 
H2   H     0.4665  0.7129  0.6758   0.003663 
H2   H     0.4665  0.8355  0.3242  -0.03062  
H2   H     0.4665  0.8355  0.5984   0.00236  
H2   H     0.4665  0.8726  0.5613   0.001779 
H2   H     0.4665  0.9500  0.4387  -0.03567  
C2   C     0.4723  0.1247  0.5857  -0.01240  
C2   C     0.4723  0.1401  0.6010  -0.01395  
C2   C     0.4723  0.3115  0.3990  -0.002735 
C2   C     0.4723  0.3115  0.6732  -0.003123 
C2   C     0.4723  0.3268  0.4143  -0.001261 
C2   C     0.4723  0.3268  0.6885  -0.003122 
C2   C     0.4723  0.3990  0.3115  -0.002735 
C2   C     0.4723  0.3990  0.5857  -0.002161 
C2   C     0.4723  0.3990  0.8599  -0.01395  
C2   C     0.4723  0.4143  0.3268  -0.001261 
C2   C     0.4723  0.4143  0.6010  -0.002161 
C2   C     0.4723  0.4143  0.8753  -0.01240  
C2   C     0.4723  0.5857  0.1247  -0.01240  
C2   C     0.4723  0.5857  0.3990  -0.002161 
C2   C     0.4723  0.5857  0.6732  -0.001261 
C2   C     0.4723  0.6010  0.1401  -0.01395  
C2   C     0.4723  0.6010  0.4143  -0.002161 
C2   C     0.4723  0.6010  0.6885  -0.002735 
C2   C     0.4723  0.6732  0.3115  -0.003129 
C2   C     0.4723  0.6732  0.5857  -0.001262 
C2   C     0.4723  0.6885  0.3268  -0.00313  
C2   C     0.4723  0.6885  0.6010  -0.002736 
C2   C     0.4723  0.8599  0.3990  -0.01395  
C2   C     0.4723  0.8753  0.4143  -0.01240  
C3m  C     0.4743  0.0652  0.4743  -0.19712  
C3m  C     0.4743  0.1121  0.5257  -0.14098  
C3m  C     0.4743  0.2000  0.3395  -0.16942  
C3m  C     0.4743  0.2000  0.6137  -0.13979  
C3m  C     0.4743  0.2515  0.3863  -0.13735  
C3m  C     0.4743  0.2515  0.6605  -0.14655  
C3m  C     0.4743  0.3395  0.2000  -0.16942  
C3m  C     0.4743  0.3395  0.4743  -0.13728  
C3m  C     0.4743  0.3395  0.7485  -0.14655  
C3m  C     0.4743  0.3863  0.2515  -0.13735  
C3m  C     0.4743  0.3863  0.5257  -0.13721  
C3m  C     0.4743  0.3863  0.8000  -0.13979  
C3m  C     0.4743  0.4743  0.0652  -0.19712  
C3m  C     0.4743  0.4743  0.3395  -0.13728  
C3m  C     0.4743  0.4743  0.6137  -0.13721  
C3m  C     0.4743  0.4743  0.8879  -0.14098  
C3m  C     0.4743  0.5257  0.1121  -0.14098  
C3m  C     0.4743  0.5257  0.3863  -0.13721  
C3m  C     0.4743  0.5257  0.6605  -0.13728  
C3m  C     0.4743  0.5257  0.9348  -0.19712  
C3m  C     0.4743  0.6137  0.2000  -0.13979  
C3m  C     0.4743  0.6137  0.4743  -0.13721  
C3m  C     0.4743  0.6137  0.7485  -0.13735  
C3m  C     0.4743  0.6605  0.2515  -0.14655  
C3m  C     0.4743  0.6605  0.5257  -0.13728  
C3m  C     0.4743  0.6605  0.8000  -0.16942  
C3m  C     0.4743  0.7485  0.3395  -0.14655  
C3m  C     0.4743  0.7485  0.6137  -0.13735  
C3m  C     0.4743  0.8000  0.3863  -0.13979  
C3m  C     0.4743  0.8000  0.6605  -0.16942  
C3m  C     0.4743  0.8879  0.4743  -0.14098  
C3m  C     0.4743  0.9348  0.5257  -0.19712  
N1   N     0.4752  0.0800  0.5501  -0.30857  
N1   N     0.4752  0.0974  0.4499  -0.30606  
N1   N     0.4752  0.1757  0.3716  -0.30497  
N1   N     0.4752  0.1757  0.6458  -0.30695  
N1   N     0.4752  0.2759  0.3542  -0.29037  
N1   N     0.4752  0.2759  0.6284  -0.29054  
N1   N     0.4752  0.3542  0.2759  -0.29037  
N1   N     0.4752  0.3542  0.5501  -0.28940  
N1   N     0.4752  0.3542  0.8243  -0.30695  
N1   N     0.4752  0.3716  0.1757  -0.30497  
N1   N     0.4752  0.3716  0.4499  -0.28942  
N1   N     0.4752  0.3716  0.7241  -0.29054  
N1   N     0.4752  0.4499  0.0974  -0.30606  
N1   N     0.4752  0.4499  0.3716  -0.28942  
N1   N     0.4752  0.4499  0.6458  -0.28940  
N1   N     0.4752  0.4499  0.9200  -0.30857  
N1   N     0.4752  0.5501  0.0800  -0.30857  
N1   N     0.4752  0.5501  0.3542  -0.28940  
N1   N     0.4752  0.5501  0.6284  -0.28942  
N1   N     0.4752  0.5501  0.9026  -0.30606  
N1   N     0.4752  0.6284  0.2759  -0.29054  
N1   N     0.4752  0.6284  0.5501  -0.28942  
N1   N     0.4752  0.6284  0.8243  -0.30497  
N1   N     0.4752  0.6458  0.1757  -0.30695  
N1   N     0.4752  0.6458  0.4499  -0.28940  
N1   N     0.4752  0.6458  0.7241  -0.29037  
N1   N     0.4752  0.7241  0.3716  -0.29054  
N1   N     0.4752  0.7241  0.6458  -0.29037  
N1   N     0.4752  0.8243  0.3542  -0.30695  
N1   N     0.4752  0.8243  0.6284  -0.30497  
N1   N     0.4752  0.9026  0.5501  -0.30606  
N1   N     0.4752  0.9200  0.4499  -0.30857  
C3m  C     0.4766  0.1144  0.3886  -0.22254  
C3m  C     0.4766  0.3371  0.3371  -0.13792  
C3m  C     0.4766  0.3371  0.6114  -0.13748  
C3m  C     0.4766  0.3886  0.1144  -0.22254  
C3m  C     0.4766  0.3886  0.3886  -0.13738  
C3m  C     0.4766  0.3886  0.6629  -0.13748  
C3m  C     0.4766  0.6114  0.3371  -0.13748  
C3m  C     0.4766  0.6114  0.6114  -0.13738  
C3m  C     0.4766  0.6114  0.8856  -0.22254  
C3m  C     0.4766  0.6629  0.3886  -0.13748  
C3m  C     0.4766  0.6629  0.6629  -0.13792  
C3m  C     0.4766  0.8856  0.6114  -0.22255  
N1   N     0.4913  0.1134  0.5870  -0.31081  
N1   N     0.4913  0.1388  0.6124  -0.30980  
N1   N     0.4913  0.3128  0.3876  -0.28993  
N1   N     0.4913  0.3128  0.6619  -0.28986  
N1   N     0.4913  0.3381  0.4130  -0.29019  
N1   N     0.4913  0.3381  0.6872  -0.28986  
N1   N     0.4913  0.3876  0.3128  -0.28993  
N1   N     0.4913  0.3876  0.5870  -0.29064  
N1   N     0.4913  0.3876  0.8612  -0.30980  
N1   N     0.4913  0.4130  0.3381  -0.29019  
N1   N     0.4913  0.4130  0.6124  -0.29064  
N1   N     0.4913  0.4130  0.8866  -0.31081  
N1   N     0.4913  0.5870  0.1134  -0.31081  
N1   N     0.4913  0.5870  0.3876  -0.29064  
N1   N     0.4913  0.5870  0.6619  -0.29019  
N1   N     0.4913  0.6124  0.1388  -0.30980  
N1   N     0.4913  0.6124  0.4130  -0.29064  
N1   N     0.4913  0.6124  0.6872  -0.28993  
N1   N     0.4913  0.6619  0.3128  -0.28986  
N1   N     0.4913  0.6619  0.5870  -0.29019  
N1   N     0.4913  0.6872  0.3381  -0.28986  
N1   N     0.4913  0.6872  0.6124  -0.28993  
N1   N     0.4913  0.8612  0.3876  -0.30980  
N1   N     0.4913  0.8866  0.4130  -0.31081  
C1   C     0.4978  0.1224  0.3966   0.10485  
C1   C     0.4978  0.3292  0.3292   0.11900  
C1   C     0.4978  0.3292  0.6034   0.11901  
C1   C     0.4978  0.3966  0.1224   0.10485  
C1   C     0.4978  0.3966  0.3966   0.11833  
C1   C     0.4978  0.3966  0.6708   0.11901  
C1   C     0.4978  0.6034  0.3292   0.11901  
C1   C     0.4978  0.6034  0.6034   0.11833  
C1   C     0.4978  0.6034  0.8776   0.10485  
C1   C     0.4978  0.6708  0.3966   0.11901  
C1   C     0.4978  0.6708  0.6708   0.11900  
C1   C     0.4978  0.8776  0.6034   0.10485  
Zn1  Zn2+  0.5000  0.2943  0.3629   1.17912  
Zn1  Zn2+  0.5000  0.2943  0.6371   1.17912  
Zn1  Zn2+  0.5000  0.3629  0.2943   1.17912  
Zn1  Zn2+  0.5000  0.3629  0.4314   1.17928  
Zn1  Zn2+  0.5000  0.3629  0.5686   1.17928  
Zn1  Zn2+  0.5000  0.3629  0.7057   1.17912  
Zn1  Zn2+  0.5000  0.4314  0.3629   1.17928  
Zn1  Zn2+  0.5000  0.4314  0.6371   1.17928  
Zn1  Zn2+  0.5000  0.5686  0.3629   1.17928  
Zn1  Zn2+  0.5000  0.5686  0.6371   1.17928  
Zn1  Zn2+  0.5000  0.6371  0.2943   1.17912  
Zn1  Zn2+  0.5000  0.6371  0.4314   1.17928  
Zn1  Zn2+  0.5000  0.6371  0.5686   1.17928  
Zn1  Zn2+  0.5000  0.6371  0.7057   1.17912  
Zn1  Zn2+  0.5000  0.7057  0.3629   1.17912  
Zn1  Zn2+  0.5000  0.7057  0.6371   1.17912  
C1   C     0.5022  0.1224  0.6034   0.10485  
C1   C     0.5022  0.3292  0.3966   0.11901  
C1   C     0.5022  0.3292  0.6708   0.11900  
C1   C     0.5022  0.3966  0.3292   0.11901  
C1   C     0.5022  0.3966  0.6034   0.11833  
C1   C     0.5022  0.3966  0.8776   0.10485  
C1   C     0.5022  0.6034  0.1224   0.10485  
C1   C     0.5022  0.6034  0.3966   0.11833  
C1   C     0.5022  0.6034  0.6708   0.11901  
C1   C     0.5022  0.6708  0.3292   0.11900  
C1   C     0.5022  0.6708  0.6034   0.11901  
C1   C     0.5022  0.8776  0.3966   0.10485  
N1   N     0.5087  0.1134  0.4130  -0.31081  
N1   N     0.5087  0.1388  0.3876  -0.30980  
N1   N     0.5087  0.3128  0.3381  -0.28986  
N1   N     0.5087  0.3128  0.6124  -0.28993  
N1   N     0.5087  0.3381  0.3128  -0.28986  
N1   N     0.5087  0.3381  0.5870  -0.29019  
N1   N     0.5087  0.3876  0.1388  -0.30980  
N1   N     0.5087  0.3876  0.4130  -0.29064  
N1   N     0.5087  0.3876  0.6872  -0.28993  
N1   N     0.5087  0.4130  0.1134  -0.31081  
N1   N     0.5087  0.4130  0.3876  -0.29064  
N1   N     0.5087  0.4130  0.6619  -0.29019  
N1   N     0.5087  0.5870  0.3381  -0.29019  
N1   N     0.5087  0.5870  0.6124  -0.29064  
N1   N     0.5087  0.5870  0.8866  -0.31081  
N1   N     0.5087  0.6124  0.3128  -0.28993  
N1   N     0.5087  0.6124  0.5870  -0.29064  
N1   N     0.5087  0.6124  0.8612  -0.30980  
N1   N     0.5087  0.6619  0.4130  -0.29019  
N1   N     0.5087  0.6619  0.6872  -0.28986  
N1   N     0.5087  0.6872  0.3876  -0.28993  
N1   N     0.5087  0.6872  0.6619  -0.28986  
N1   N     0.5087  0.8612  0.6124  -0.30980  
N1   N     0.5087  0.8866  0.5870  -0.31081  
C3m  C     0.5234  0.1144  0.6114  -0.22255  
C3m  C     0.5234  0.3371  0.3886  -0.13748  
C3m  C     0.5234  0.3371  0.6629  -0.13792  
C3m  C     0.5234  0.3886  0.3371  -0.13748  
C3m  C     0.5234  0.3886  0.6114  -0.13738  
C3m  C     0.5234  0.3886  0.8856  -0.22254  
C3m  C     0.5234  0.6114  0.1144  -0.22254  
C3m  C     0.5234  0.6114  0.3886  -0.13738  
C3m  C     0.5234  0.6114  0.6629  -0.13748  
C3m  C     0.5234  0.6629  0.3371  -0.13792  
C3m  C     0.5234  0.6629  0.6114  -0.13748  
C3m  C     0.5234  0.8856  0.3886  -0.22256  
N1   N     0.5248  0.0800  0.4499  -0.30857  
N1   N     0.5248  0.0974  0.5501  -0.30606  
N1   N     0.5248  0.1757  0.3542  -0.30695  
N1   N     0.5248  0.1757  0.6284  -0.30497  
N1   N     0.5248  0.2759  0.3716  -0.29054  
N1   N     0.5248  0.2759  0.6458  -0.29037  
N1   N     0.5248  0.3542  0.1757  -0.30695  
N1   N     0.5248  0.3542  0.4499  -0.28940  
N1   N     0.5248  0.3542  0.7241  -0.29037  
N1   N     0.5248  0.3716  0.2759  -0.29054  
N1   N     0.5248  0.3716  0.5501  -0.28942  
N1   N     0.5248  0.3716  0.8243  -0.30497  
N1   N     0.5248  0.4499  0.0800  -0.30857  
N1   N     0.5248  0.4499  0.3542  -0.28940  
N1   N     0.5248  0.4499  0.6284  -0.28942  
N1   N     0.5248  0.4499  0.9026  -0.30606  
N1   N     0.5248  0.5501  0.0974  -0.30606  
N1   N     0.5248  0.5501  0.3716  -0.28942  
N1   N     0.5248  0.5501  0.6458  -0.28940  
N1   N     0.5248  0.5501  0.9200  -0.30857  
N1   N     0.5248  0.6284  0.1757  -0.30497  
N1   N     0.5248  0.6284  0.4499  -0.28942  
N1   N     0.5248  0.6284  0.7241  -0.29054  
N1   N     0.5248  0.6458  0.2759  -0.29037  
N1   N     0.5248  0.6458  0.5501  -0.28940  
N1   N     0.5248  0.6458  0.8243  -0.30695  
N1   N     0.5248  0.7241  0.3542  -0.29037  
N1   N     0.5248  0.7241  0.6284  -0.29054  
N1   N     0.5248  0.8243  0.3716  -0.30497  
N1   N     0.5248  0.8243  0.6458  -0.30695  
N1   N     0.5248  0.9026  0.4499  -0.30606  
N1   N     0.5248  0.9200  0.5501  -0.30857  
C3m  C     0.5257  0.0652  0.5257  -0.19712  
C3m  C     0.5257  0.1121  0.4743  -0.14098  
C3m  C     0.5257  0.2000  0.3863  -0.13979  
C3m  C     0.5257  0.2000  0.6605  -0.16942  
C3m  C     0.5257  0.2515  0.3395  -0.14655  
C3m  C     0.5257  0.2515  0.6137  -0.13735  
C3m  C     0.5257  0.3395  0.2515  -0.14655  
C3m  C     0.5257  0.3395  0.5257  -0.13728  
C3m  C     0.5257  0.3395  0.8000  -0.16942  
C3m  C     0.5257  0.3863  0.2000  -0.13979  
C3m  C     0.5257  0.3863  0.4743  -0.13721  
C3m  C     0.5257  0.3863  0.7485  -0.13735  
C3m  C     0.5257  0.4743  0.1121  -0.14098  
C3m  C     0.5257  0.4743  0.3863  -0.13721  
C3m  C     0.5257  0.4743  0.6605  -0.13728  
C3m  C     0.5257  0.4743  0.9348  -0.19712  
C3m  C     0.5257  0.5257  0.0652  -0.19712  
C3m  C     0.5257  0.5257  0.3395  -0.13728  
C3m  C     0.5257  0.5257  0.6137  -0.13721  
C3m  C     0.5257  0.5257  0.8879  -0.14098  
C3m  C     0.5257  0.6137  0.2515  -0.13735  
C3m  C     0.5257  0.6137  0.5257  -0.13721  
C3m  C     0.5257  0.6137  0.8000  -0.13979  
C3m  C     0.5257  0.6605  0.2000  -0.16942  
C3m  C     0.5257  0.6605  0.4743  -0.13728  
C3m  C     0.5257  0.6605  0.7485  -0.14655  
C3m  C     0.5257  0.7485  0.3863  -0.13735  
C3m  C     0.5257  0.7485  0.6605  -0.14655  
C3m  C     0.5257  0.8000  0.3395  -0.16942  
C3m  C     0.5257  0.8000  0.6137  -0.13979  
C3m  C     0.5257  0.8879  0.5257  -0.14098  
C3m  C     0.5257  0.9348  0.4743  -0.19713  
C2   C     0.5277  0.1247  0.4143  -0.01240  
C2   C     0.5277  0.1401  0.3990  -0.01395  
C2   C     0.5277  0.3115  0.3268  -0.003122 
C2   C     0.5277  0.3115  0.6010  -0.002735 
C2   C     0.5277  0.3268  0.3115  -0.003121 
C2   C     0.5277  0.3268  0.5857  -0.001261 
C2   C     0.5277  0.3990  0.1401  -0.01395  
C2   C     0.5277  0.3990  0.4143  -0.002161 
C2   C     0.5277  0.3990  0.6885  -0.002735 
C2   C     0.5277  0.4143  0.1247  -0.01240  
C2   C     0.5277  0.4143  0.3990  -0.002161 
C2   C     0.5277  0.4143  0.6732  -0.001261 
C2   C     0.5277  0.5857  0.3268  -0.001261 
C2   C     0.5277  0.5857  0.6010  -0.002163 
C2   C     0.5277  0.5857  0.8753  -0.01240  
C2   C     0.5277  0.6010  0.3115  -0.002736 
C2   C     0.5277  0.6010  0.5857  -0.002163 
C2   C     0.5277  0.6010  0.8599  -0.01395  
C2   C     0.5277  0.6732  0.4143  -0.001264 
C2   C     0.5277  0.6732  0.6885  -0.003134 
C2   C     0.5277  0.6885  0.3990  -0.002736 
C2   C     0.5277  0.6885  0.6732  -0.003138 
C2   C     0.5277  0.8599  0.6010  -0.01395  
C2   C     0.5277  0.8753  0.5857  -0.01240  
H2   H     0.5335  0.0500  0.4387  -0.03567  
H2   H     0.5335  0.1274  0.5613   0.001779 
H2   H     0.5335  0.1645  0.3242  -0.03062  
H2   H     0.5335  0.1645  0.5984   0.002367 
H2   H     0.5335  0.2871  0.4016   0.006053 
H2   H     0.5335  0.2871  0.6758   0.003662 
H2   H     0.5335  0.3242  0.1645  -0.03062  
H2   H     0.5335  0.3242  0.4387   0.006089 
H2   H     0.5335  0.3242  0.7129   0.003663 
H2   H     0.5335  0.4016  0.2871   0.006053 
H2   H     0.5335  0.4016  0.5613   0.006086 
H2   H     0.5335  0.4016  0.8355   0.002363 
H2   H     0.5335  0.4387  0.0500  -0.03567  
H2   H     0.5335  0.4387  0.3242   0.006089 
H2   H     0.5335  0.4387  0.5984   0.006086 
H2   H     0.5335  0.4387  0.8726   0.00177  
H2   H     0.5335  0.5613  0.1274   0.001773 
H2   H     0.5335  0.5613  0.4016   0.006085 
H2   H     0.5335  0.5613  0.6758   0.006087 
H2   H     0.5335  0.5613  0.9500  -0.03567  
H2   H     0.5335  0.5984  0.1645   0.002365 
H2   H     0.5335  0.5984  0.4387   0.006085 
H2   H     0.5335  0.5984  0.7129   0.006052 
H2   H     0.5335  0.6758  0.2871   0.003667 
H2   H     0.5335  0.6758  0.5613   0.006085 
H2   H     0.5335  0.6758  0.8355  -0.03062  
H2   H     0.5335  0.7129  0.3242   0.003662 
H2   H     0.5335  0.7129  0.5984   0.006055 
H2   H     0.5335  0.8355  0.4016   0.002359 
H2   H     0.5335  0.8355  0.6758  -0.03063  
H2   H     0.5335  0.8726  0.4387   0.001779 
H2   H     0.5335  0.9500  0.5613  -0.03567  
C1   C     0.5337  0.0865  0.5337   0.10505  
C1   C     0.5337  0.0909  0.4663   0.11693  
C1   C     0.5337  0.1921  0.3651   0.11743  
C1   C     0.5337  0.1921  0.6393   0.11324  
C1   C     0.5337  0.2595  0.3607   0.12003  
C1   C     0.5337  0.2595  0.6349   0.11819  
C1   C     0.5337  0.3607  0.2595   0.12003  
C1   C     0.5337  0.3607  0.5337   0.11900  
C1   C     0.5337  0.3607  0.8079   0.11324  
C1   C     0.5337  0.3651  0.1921   0.11743  
C1   C     0.5337  0.3651  0.4663   0.11901  
C1   C     0.5337  0.3651  0.7405   0.11819  
C1   C     0.5337  0.4663  0.0909   0.11693  
C1   C     0.5337  0.4663  0.3651   0.11901  
C1   C     0.5337  0.4663  0.6393   0.11900  
C1   C     0.5337  0.4663  0.9135   0.10505  
C1   C     0.5337  0.5337  0.0865   0.10505  
C1   C     0.5337  0.5337  0.3607   0.11900  
C1   C     0.5337  0.5337  0.6349   0.11901  
C1   C     0.5337  0.5337  0.9091   0.11693  
C1   C     0.5337  0.6349  0.2595   0.11819  
C1   C     0.5337  0.6349  0.5337   0.11901  
C1   C     0.5337  0.6349  0.8079   0.11743  
C1   C     0.5337  0.6393  0.1921   0.11324  
C1   C     0.5337  0.6393  0.4663   0.11900  
C1   C     0.5337  0.6393  0.7405   0.12003  
C1   C     0.5337  0.7405  0.3651   0.11819  
C1   C     0.5337  0.7405  0.6393   0.12003  
C1   C     0.5337  0.8079  0.3607   0.11324  
C1   C     0.5337  0.8079  0.6349   0.11743  
C1   C     0.5337  0.9091  0.5337   0.11693  
C1   C     0.5337  0.9135  0.4663   0.10504  
C2   C     0.5361  0.0610  0.4486  -0.01834  
C2   C     0.5361  0.1163  0.5514  -0.008928 
C2   C     0.5361  0.1744  0.3352  -0.01665  
C2   C     0.5361  0.1744  0.6094  -0.007787 
C2   C     0.5361  0.2772  0.3906  -0.00172  
C2   C     0.5361  0.2772  0.6648  -0.003612 
C2   C     0.5361  0.3352  0.1744  -0.01665  
C2   C     0.5361  0.3352  0.4486  -0.001792 
C2   C     0.5361  0.3352  0.7228  -0.003619 
C2   C     0.5361  0.3906  0.2772  -0.00172  
C2   C     0.5361  0.3906  0.5514  -0.001789 
C2   C     0.5361  0.3906  0.8256  -0.007783 
C2   C     0.5361  0.4486  0.0610  -0.01834  
C2   C     0.5361  0.4486  0.3352  -0.001792 
C2   C     0.5361  0.4486  0.6094  -0.001789 
C2   C     0.5361  0.4486  0.8837  -0.008922 
C2   C     0.5361  0.5514  0.1163  -0.008924 
C2   C     0.5361  0.5514  0.3906  -0.00178  
C2   C     0.5361  0.5514  0.6648  -0.001793 
C2   C     0.5361  0.5514  0.9390  -0.01834  
C2   C     0.5361  0.6094  0.1744  -0.007789 
C2   C     0.5361  0.6094  0.4486  -0.00178  
C2   C     0.5361  0.6094  0.7228  -0.001724 
C2   C     0.5361  0.6648  0.2772  -0.003611 
C2   C     0.5361  0.6648  0.5514  -0.001794 
C2   C     0.5361  0.6648  0.8256  -0.01665  
C2   C     0.5361  0.7228  0.3352  -0.003612 
C2   C     0.5361  0.7228  0.6094  -0.001728 
C2   C     0.5361  0.8256  0.3906  -0.007787 
C2   C     0.5361  0.8256  0.6648  -0.01665  
C2   C     0.5361  0.8837  0.4486  -0.008935 
C2   C     0.5361  0.9390  0.5514  -0.01834  
H2   H     0.5387  0.1222  0.4242  -0.003072 
H2   H     0.5387  0.1499  0.3964  -0.00106  
H2   H     0.5387  0.3016  0.3294   0.004774 
H2   H     0.5387  0.3016  0.6036   0.006491 
H2   H     0.5387  0.3294  0.3016   0.004774 
H2   H     0.5387  0.3294  0.5758   0.005875 
H2   H     0.5387  0.3964  0.1499  -0.00106  
H2   H     0.5387  0.3964  0.4242   0.006318 
H2   H     0.5387  0.3964  0.6984   0.006491 
H2   H     0.5387  0.4242  0.1222  -0.003063 
H2   H     0.5387  0.4242  0.3964   0.006318 
H2   H     0.5387  0.4242  0.6706   0.005876 
H2   H     0.5387  0.5758  0.3294   0.005875 
H2   H     0.5387  0.5758  0.6036   0.006316 
H2   H     0.5387  0.5758  0.8778  -0.003069 
H2   H     0.5387  0.6036  0.3016   0.006491 
H2   H     0.5387  0.6036  0.5758   0.006316 
H2   H     0.5387  0.6036  0.8501  -0.001064 
H2   H     0.5387  0.6706  0.4242   0.005873 
H2   H     0.5387  0.6706  0.6984   0.004777 
H2   H     0.5387  0.6984  0.3964   0.006496 
H2   H     0.5387  0.6984  0.6706   0.004773 
H2   H     0.5387  0.8501  0.6036  -0.001073 
H2   H     0.5387  0.8778  0.5758  -0.003072 
N1   N     0.5501  0.0800  0.4752  -0.30857  
N1   N     0.5501  0.0974  0.5248  -0.30606  
N1   N     0.5501  0.2010  0.3542  -0.29208  
N1   N     0.5501  0.2010  0.6284  -0.29079  
N1   N     0.5501  0.2505  0.3716  -0.29065  
N1   N     0.5501  0.2505  0.6458  -0.29061  
N1   N     0.5501  0.3542  0.2010  -0.29208  
N1   N     0.5501  0.3542  0.4752  -0.28940  
N1   N     0.5501  0.3542  0.7495  -0.29061  
N1   N     0.5501  0.3716  0.2505  -0.29065  
N1   N     0.5501  0.3716  0.5248  -0.28942  
N1   N     0.5501  0.3716  0.7990  -0.29079  
N1   N     0.5501  0.4752  0.0800  -0.30857  
N1   N     0.5501  0.4752  0.3542  -0.28940  
N1   N     0.5501  0.4752  0.6284  -0.28942  
N1   N     0.5501  0.4752  0.9026  -0.30606  
N1   N     0.5501  0.5248  0.0974  -0.30606  
N1   N     0.5501  0.5248  0.3716  -0.28942  
N1   N     0.5501  0.5248  0.6458  -0.28940  
N1   N     0.5501  0.5248  0.9200  -0.30857  
N1   N     0.5501  0.6284  0.2010  -0.29079  
N1   N     0.5501  0.6284  0.4752  -0.28942  
N1   N     0.5501  0.6284  0.7495  -0.29065  
N1   N     0.5501  0.6458  0.2505  -0.29061  
N1   N     0.5501  0.6458  0.5248  -0.28940  
N1   N     0.5501  0.6458  0.7990  -0.29208  
N1   N     0.5501  0.7495  0.3542  -0.29061  
N1   N     0.5501  0.7495  0.6284  -0.29065  
N1   N     0.5501  0.7990  0.3716  -0.29079  
N1   N     0.5501  0.7990  0.6458  -0.29208  
N1   N     0.5501  0.9026  0.4752  -0.30606  
N1   N     0.5501  0.9200  0.5248  -0.30857  
C2   C     0.5514  0.0610  0.4639  -0.01834  
C2   C     0.5514  0.1163  0.5361  -0.008922 
C2   C     0.5514  0.1897  0.3352  -0.00709  
C2   C     0.5514  0.1897  0.6094  -0.005727 
C2   C     0.5514  0.2618  0.3906  -0.002119 
C2   C     0.5514  0.2618  0.6648  -0.003532 
C2   C     0.5514  0.3352  0.1897  -0.007081 
C2   C     0.5514  0.3352  0.4639  -0.001792 
C2   C     0.5514  0.3352  0.7382  -0.003539 
C2   C     0.5514  0.3906  0.2618  -0.002119 
C2   C     0.5514  0.3906  0.5361  -0.001789 
C2   C     0.5514  0.3906  0.8103  -0.005724 
C2   C     0.5514  0.4639  0.0610  -0.01834  
C2   C     0.5514  0.4639  0.3352  -0.001792 
C2   C     0.5514  0.4639  0.6094  -0.001789 
C2   C     0.5514  0.4639  0.8837  -0.008922 
C2   C     0.5514  0.5361  0.1163  -0.008923 
C2   C     0.5514  0.5361  0.3906  -0.00178  
C2   C     0.5514  0.5361  0.6648  -0.001793 
C2   C     0.5514  0.5361  0.9390  -0.01834  
C2   C     0.5514  0.6094  0.1897  -0.005727 
C2   C     0.5514  0.6094  0.4639  -0.00178  
C2   C     0.5514  0.6094  0.7382  -0.002112 
C2   C     0.5514  0.6648  0.2618  -0.003537 
C2   C     0.5514  0.6648  0.5361  -0.001794 
C2   C     0.5514  0.6648  0.8103  -0.007092 
C2   C     0.5514  0.7382  0.3352  -0.003537 
C2   C     0.5514  0.7382  0.6094  -0.002111 
C2   C     0.5514  0.8103  0.3906  -0.005725 
C2   C     0.5514  0.8103  0.6648  -0.007092 
C2   C     0.5514  0.8837  0.4639  -0.00893  
C2   C     0.5514  0.9390  0.5361  -0.01834  
H2   H     0.5613  0.0500  0.4665  -0.03567  
H2   H     0.5613  0.1274  0.5335   0.001778 
H2   H     0.5613  0.1923  0.3242  -0.01017  
H2   H     0.5613  0.1923  0.5984   0.003923 
H2   H     0.5613  0.2593  0.4016   0.006226 
H2   H     0.5613  0.2593  0.6758   0.001998 
H2   H     0.5613  0.3242  0.1923  -0.01017  
H2   H     0.5613  0.3242  0.4665   0.006088 
H2   H     0.5613  0.3242  0.7407   0.001994 
H2   H     0.5613  0.4016  0.2593   0.006226 
H2   H     0.5613  0.4016  0.5335   0.006086 
H2   H     0.5613  0.4016  0.8077   0.003924 
H2   H     0.5613  0.4665  0.0500  -0.03567  
H2   H     0.5613  0.4665  0.3242   0.006089 
H2   H     0.5613  0.4665  0.5984   0.006086 
H2   H     0.5613  0.4665  0.8726   0.001771 
H2   H     0.5613  0.5335  0.1274   0.001774 
H2   H     0.5613  0.5335  0.4016   0.006085 
H2   H     0.5613  0.5335  0.6758   0.006087 
H2   H     0.5613  0.5335  0.9500  -0.03567  
H2   H     0.5613  0.5984  0.1923   0.003927 
H2   H     0.5613  0.5984  0.4665   0.006085 
H2   H     0.5613  0.5984  0.7407   0.006224 
H2   H     0.5613  0.6758  0.2593   0.001995 
H2   H     0.5613  0.6758  0.5335   0.006085 
H2   H     0.5613  0.6758  0.8077  -0.01017  
H2   H     0.5613  0.7407  0.3242   0.001998 
H2   H     0.5613  0.7407  0.5984   0.006228 
H2   H     0.5613  0.8077  0.4016   0.003927 
H2   H     0.5613  0.8077  0.6758  -0.01018  
H2   H     0.5613  0.8726  0.4665   0.00177  
H2   H     0.5613  0.9500  0.5335  -0.03568  
Zn1  Zn2+  0.5686  0.2258  0.3629   1.17867  
Zn1  Zn2+  0.5686  0.2258  0.6371   1.17865  
Zn1  Zn2+  0.5686  0.3629  0.2258   1.17867  
Zn1  Zn2+  0.5686  0.3629  0.5000   1.17928  
Zn1  Zn2+  0.5686  0.3629  0.7742   1.17865  
Zn1  Zn2+  0.5686  0.5000  0.3629   1.17928  
Zn1  Zn2+  0.5686  0.5000  0.6371   1.17928  
Zn1  Zn2+  0.5686  0.6371  0.2258   1.17865  
Zn1  Zn2+  0.5686  0.6371  0.5000   1.17928  
Zn1  Zn2+  0.5686  0.6371  0.7742   1.17867  
Zn1  Zn2+  0.5686  0.7742  0.3629   1.17865  
Zn1  Zn2+  0.5686  0.7742  0.6371   1.17867  
H2   H     0.5758  0.1222  0.4613  -0.003077 
H2   H     0.5758  0.1871  0.3964   0.0009869
H2   H     0.5758  0.1871  0.6706  -0.01110  
H2   H     0.5758  0.2645  0.3294   0.004033 
H2   H     0.5758  0.2645  0.6036   0.00578  
H2   H     0.5758  0.3294  0.2645   0.004034 
H2   H     0.5758  0.3294  0.5387   0.005875 
H2   H     0.5758  0.3294  0.8129  -0.01110  
H2   H     0.5758  0.3964  0.1871   0.0009864
H2   H     0.5758  0.3964  0.4613   0.006318 
H2   H     0.5758  0.3964  0.7355   0.00578  
H2   H     0.5758  0.4613  0.1222  -0.003064 
H2   H     0.5758  0.4613  0.3964   0.006318 
H2   H     0.5758  0.4613  0.6706   0.005876 
H2   H     0.5758  0.5387  0.3294   0.005875 
H2   H     0.5758  0.5387  0.6036   0.006316 
H2   H     0.5758  0.5387  0.8778  -0.003067 
H2   H     0.5758  0.6036  0.2645   0.005789 
H2   H     0.5758  0.6036  0.5387   0.006316 
H2   H     0.5758  0.6036  0.8129   0.0009849
H2   H     0.5758  0.6706  0.1871  -0.01110  
H2   H     0.5758  0.6706  0.4613   0.005872 
H2   H     0.5758  0.6706  0.7355   0.004033 
H2   H     0.5758  0.7355  0.3964   0.005785 
H2   H     0.5758  0.7355  0.6706   0.004038 
H2   H     0.5758  0.8129  0.3294  -0.01111  
H2   H     0.5758  0.8129  0.6036   0.0009807
H2   H     0.5758  0.8778  0.5387  -0.003079 
C2   C     0.5857  0.1247  0.4723  -0.01240  
C2   C     0.5857  0.1981  0.3990  -0.004693 
C2   C     0.5857  0.1981  0.6732  -0.006864 
C2   C     0.5857  0.2534  0.3268  -0.003583 
C2   C     0.5857  0.2534  0.6010  -0.001323 
C2   C     0.5857  0.3268  0.2534  -0.003586 
C2   C     0.5857  0.3268  0.5277  -0.001261 
C2   C     0.5857  0.3268  0.8019  -0.00686  
C2   C     0.5857  0.3990  0.1981  -0.004684 
C2   C     0.5857  0.3990  0.4723  -0.002161 
C2   C     0.5857  0.3990  0.7466  -0.001321 
C2   C     0.5857  0.4723  0.1247  -0.01240  
C2   C     0.5857  0.4723  0.3990  -0.002161 
C2   C     0.5857  0.4723  0.6732  -0.001261 
C2   C     0.5857  0.5277  0.3268  -0.001261 
C2   C     0.5857  0.5277  0.6010  -0.002163 
C2   C     0.5857  0.5277  0.8753  -0.01240  
C2   C     0.5857  0.6010  0.2534  -0.001322 
C2   C     0.5857  0.6010  0.5277  -0.002163 
C2   C     0.5857  0.6010  0.8019  -0.004682 
C2   C     0.5857  0.6732  0.1981  -0.006867 
C2   C     0.5857  0.6732  0.4723  -0.001262 
C2   C     0.5857  0.6732  0.7466  -0.003582 
C2   C     0.5857  0.7466  0.3990  -0.001323 
C2   C     0.5857  0.7466  0.6732  -0.003584 
C2   C     0.5857  0.8019  0.3268  -0.006873 
C2   C     0.5857  0.8019  0.6010  -0.004693 
C2   C     0.5857  0.8753  0.5277  -0.01240  
N1   N     0.5870  0.1134  0.4913  -0.31081  
N1   N     0.5870  0.2171  0.3876  -0.29133  
N1   N     0.5870  0.2171  0.6619  -0.29287  
N1   N     0.5870  0.2345  0.3381  -0.29160  
N1   N     0.5870  0.2345  0.6124  -0.29163  
N1   N     0.5870  0.3381  0.2345  -0.29160  
N1   N     0.5870  0.3381  0.5087  -0.29019  
N1   N     0.5870  0.3381  0.7829  -0.29287  
N1   N     0.5870  0.3876  0.2171  -0.29133  
N1   N     0.5870  0.3876  0.4913  -0.29064  
N1   N     0.5870  0.3876  0.7655  -0.29163  
N1   N     0.5870  0.4913  0.1134  -0.31081  
N1   N     0.5870  0.4913  0.3876  -0.29064  
N1   N     0.5870  0.4913  0.6619  -0.29019  
N1   N     0.5870  0.5087  0.3381  -0.29019  
N1   N     0.5870  0.5087  0.6124  -0.29064  
N1   N     0.5870  0.5087  0.8866  -0.31081  
N1   N     0.5870  0.6124  0.2345  -0.29163  
N1   N     0.5870  0.6124  0.5087  -0.29064  
N1   N     0.5870  0.6124  0.7829  -0.29133  
N1   N     0.5870  0.6619  0.2171  -0.29287  
N1   N     0.5870  0.6619  0.4913  -0.29019  
N1   N     0.5870  0.6619  0.7655  -0.29160  
N1   N     0.5870  0.7655  0.3876  -0.29163  
N1   N     0.5870  0.7655  0.6619  -0.29161  
N1   N     0.5870  0.7829  0.3381  -0.29287  
N1   N     0.5870  0.7829  0.6124  -0.29134  
N1   N     0.5870  0.8866  0.5087  -0.31082  
H2   H     0.5984  0.1645  0.5335   0.002364 
H2   H     0.5984  0.1923  0.5613   0.003922 
H2   H     0.5984  0.2593  0.4387   0.006226 
H2   H     0.5984  0.2593  0.7129  -0.0004118
H2   H     0.5984  0.2871  0.4665   0.006053 
H2   H     0.5984  0.2871  0.7407  -0.0004128
H2   H     0.5984  0.4387  0.2593   0.006226 
H2   H     0.5984  0.4387  0.5335   0.006086 
H2   H     0.5984  0.4387  0.8077   0.003924 
H2   H     0.5984  0.4665  0.2871   0.006053 
H2   H     0.5984  0.4665  0.5613   0.006086 
H2   H     0.5984  0.4665  0.8355   0.002363 
H2   H     0.5984  0.5335  0.1645   0.002367 
H2   H     0.5984  0.5335  0.4387   0.006085 
H2   H     0.5984  0.5335  0.7129   0.006052 
H2   H     0.5984  0.5613  0.1923   0.003928 
H2   H     0.5984  0.5613  0.4665   0.006085 
H2   H     0.5984  0.5613  0.7407   0.006224 
H2   H     0.5984  0.7129  0.2593  -0.000417 
H2   H     0.5984  0.7129  0.5335   0.006059 
H2   H     0.5984  0.7407  0.2871  -0.0004116
H2   H     0.5984  0.7407  0.5613   0.006221 
H2   H     0.5984  0.8077  0.4387   0.003919 
H2   H     0.5984  0.8355  0.4665   0.002354 
C2   C     0.6010  0.1401  0.4723  -0.01395  
C2   C     0.6010  0.1981  0.4143  -0.004698 
C2   C     0.6010  0.1981  0.6885  -0.01805  
C2   C     0.6010  0.2534  0.3115  -0.007213 
C2   C     0.6010  0.2534  0.5857  -0.001323 
C2   C     0.6010  0.3115  0.2534  -0.007215 
C2   C     0.6010  0.3115  0.5277  -0.002735 
C2   C     0.6010  0.3115  0.8019  -0.01805  
C2   C     0.6010  0.4143  0.1981  -0.004684 
C2   C     0.6010  0.4143  0.4723  -0.002161 
C2   C     0.6010  0.4143  0.7466  -0.001321 
C2   C     0.6010  0.4723  0.1401  -0.01395  
C2   C     0.6010  0.4723  0.4143  -0.002161 
C2   C     0.6010  0.4723  0.6885  -0.002735 
C2   C     0.6010  0.5277  0.3115  -0.002735 
C2   C     0.6010  0.5277  0.5857  -0.002163 
C2   C     0.6010  0.5277  0.8599  -0.01395  
C2   C     0.6010  0.5857  0.2534  -0.001322 
C2   C     0.6010  0.5857  0.5277  -0.002163 
C2   C     0.6010  0.5857  0.8019  -0.004682 
C2   C     0.6010  0.6885  0.1981  -0.01805  
C2   C     0.6010  0.6885  0.4723  -0.002731 
C2   C     0.6010  0.6885  0.7466  -0.007214 
C2   C     0.6010  0.7466  0.4143  -0.001321 
C2   C     0.6010  0.7466  0.6885  -0.007229 
C2   C     0.6010  0.8019  0.3115  -0.01806  
C2   C     0.6010  0.8019  0.5857  -0.004707 
C2   C     0.6010  0.8599  0.5277  -0.01395  
C1   C     0.6034  0.1224  0.5022   0.10485  
C1   C     0.6034  0.2236  0.3292   0.11277  
C1   C     0.6034  0.2236  0.6034   0.11962  
C1   C     0.6034  0.2280  0.3966   0.11766  
C1   C     0.6034  0.2280  0.6708   0.11715  
C1   C     0.6034  0.3292  0.2236   0.11277  
C1   C     0.6034  0.3292  0.4978   0.11901  
C1   C     0.6034  0.3292  0.7720   0.11715  
C1   C     0.6034  0.3966  0.2280   0.11766  
C1   C     0.6034  0.3966  0.5022   0.11833  
C1   C     0.6034  0.3966  0.7764   0.11962  
C1   C     0.6034  0.4978  0.3292   0.11901  
C1   C     0.6034  0.4978  0.6034   0.11833  
C1   C     0.6034  0.4978  0.8776   0.10485  
C1   C     0.6034  0.5022  0.1224   0.10485  
C1   C     0.6034  0.5022  0.3966   0.11833  
C1   C     0.6034  0.5022  0.6708   0.11901  
C1   C     0.6034  0.6034  0.2236   0.11962  
C1   C     0.6034  0.6034  0.4978   0.11833  
C1   C     0.6034  0.6034  0.7720   0.11766  
C1   C     0.6034  0.6708  0.2280   0.11715  
C1   C     0.6034  0.6708  0.5022   0.11901  
C1   C     0.6034  0.6708  0.7764   0.11277  
C1   C     0.6034  0.7720  0.3292   0.11715  
C1   C     0.6034  0.7720  0.6034   0.11765  
C1   C     0.6034  0.7764  0.3966   0.11963  
C1   C     0.6034  0.7764  0.6708   0.11278  
C1   C     0.6034  0.8776  0.4978   0.10485  
H2   H     0.6036  0.1499  0.4613  -0.001063 
H2   H     0.6036  0.1871  0.4242   0.0009877
H2   H     0.6036  0.1871  0.6984  -0.03164  
H2   H     0.6036  0.2645  0.3016   0.003096 
H2   H     0.6036  0.2645  0.5758   0.00578  
H2   H     0.6036  0.3016  0.2645   0.003098 
H2   H     0.6036  0.3016  0.5387   0.006491 
H2   H     0.6036  0.3016  0.8129  -0.03164  
H2   H     0.6036  0.4242  0.1871   0.0009868
H2   H     0.6036  0.4242  0.4613   0.006318 
H2   H     0.6036  0.4242  0.7355   0.00578  
H2   H     0.6036  0.4613  0.1499  -0.00106  
H2   H     0.6036  0.4613  0.4242   0.006318 
H2   H     0.6036  0.4613  0.6984   0.006491 
H2   H     0.6036  0.5387  0.3016   0.006491 
H2   H     0.6036  0.5387  0.5758   0.006316 
H2   H     0.6036  0.5387  0.8501  -0.001064 
H2   H     0.6036  0.5758  0.2645   0.005789 
H2   H     0.6036  0.5758  0.5387   0.006316 
H2   H     0.6036  0.5758  0.8129   0.0009823
H2   H     0.6036  0.6984  0.1871  -0.03164  
H2   H     0.6036  0.6984  0.4613   0.00649  
H2   H     0.6036  0.6984  0.7355   0.003099 
H2   H     0.6036  0.7355  0.4242   0.005785 
H2   H     0.6036  0.7355  0.6984   0.003097 
H2   H     0.6036  0.8129  0.3016  -0.03166  
H2   H     0.6036  0.8129  0.5758   0.0009758
H2   H     0.6036  0.8501  0.5387  -0.001076 
C2   C     0.6094  0.1744  0.5361  -0.007784 
C2   C     0.6094  0.1897  0.5514  -0.005728 
C2   C     0.6094  0.2618  0.4486  -0.002119 
C2   C     0.6094  0.2618  0.7228  -0.01244  
C2   C     0.6094  0.2772  0.4639  -0.001721 
C2   C     0.6094  0.2772  0.7382  -0.01244  
C2   C     0.6094  0.4486  0.2618  -0.002119 
C2   C     0.6094  0.4486  0.5361  -0.001789 
C2   C     0.6094  0.4486  0.8103  -0.005724 
C2   C     0.6094  0.4639  0.2772  -0.00172  
C2   C     0.6094  0.4639  0.5514  -0.001789 
C2   C     0.6094  0.4639  0.8256  -0.007783 
C2   C     0.6094  0.5361  0.1744  -0.007782 
C2   C     0.6094  0.5361  0.4486  -0.00178  
C2   C     0.6094  0.5361  0.7228  -0.001722 
C2   C     0.6094  0.5514  0.1897  -0.005723 
C2   C     0.6094  0.5514  0.4639  -0.00178  
C2   C     0.6094  0.5514  0.7382  -0.002111 
C2   C     0.6094  0.7228  0.2618  -0.01244  
C2   C     0.6094  0.7228  0.5361  -0.001728 
C2   C     0.6094  0.7382  0.2772  -0.01244  
C2   C     0.6094  0.7382  0.5514  -0.002113 
C2   C     0.6094  0.8103  0.4486  -0.005737 
C2   C     0.6094  0.8256  0.4639  -0.007795 
C3m  C     0.6114  0.1144  0.5234  -0.22255  
C3m  C     0.6114  0.2023  0.3371  -0.17166  
C3m  C     0.6114  0.2023  0.6114  -0.15161  
C3m  C     0.6114  0.2492  0.3886  -0.13732  
C3m  C     0.6114  0.2492  0.6629  -0.13961  
C3m  C     0.6114  0.3371  0.2023  -0.17165  
C3m  C     0.6114  0.3371  0.4766  -0.13748  
C3m  C     0.6114  0.3371  0.7508  -0.13961  
C3m  C     0.6114  0.3886  0.2492  -0.13732  
C3m  C     0.6114  0.3886  0.5234  -0.13738  
C3m  C     0.6114  0.3886  0.7977  -0.15161  
C3m  C     0.6114  0.4766  0.3371  -0.13748  
C3m  C     0.6114  0.4766  0.6114  -0.13738  
C3m  C     0.6114  0.4766  0.8856  -0.22254  
C3m  C     0.6114  0.5234  0.1144  -0.22254  
C3m  C     0.6114  0.5234  0.3886  -0.13738  
C3m  C     0.6114  0.5234  0.6629  -0.13748  
C3m  C     0.6114  0.6114  0.2023  -0.15161  
C3m  C     0.6114  0.6114  0.4766  -0.13738  
C3m  C     0.6114  0.6114  0.7508  -0.13732  
C3m  C     0.6114  0.6629  0.2492  -0.13961  
C3m  C     0.6114  0.6629  0.5234  -0.13748  
C3m  C     0.6114  0.6629  0.7977  -0.17166  
C3m  C     0.6114  0.7508  0.3371  -0.13961  
C3m  C     0.6114  0.7508  0.6114  -0.13732  
C3m  C     0.6114  0.7977  0.3886  -0.15170  
C3m  C     0.6114  0.7977  0.6629  -0.17176  
C3m  C     0.6114  0.8856  0.4766  -0.22259  
N1   N     0.6124  0.1388  0.4913  -0.30980  
N1   N     0.6124  0.2171  0.4130  -0.29133  
N1   N     0.6124  0.2171  0.6872  -0.30773  
N1   N     0.6124  0.2345  0.3128  -0.30549  
N1   N     0.6124  0.2345  0.5870  -0.29163  
N1   N     0.6124  0.3128  0.2345  -0.30549  
N1   N     0.6124  0.3128  0.5087  -0.28993  
N1   N     0.6124  0.3128  0.7829  -0.30773  
N1   N     0.6124  0.4130  0.2171  -0.29133  
N1   N     0.6124  0.4130  0.4913  -0.29064  
N1   N     0.6124  0.4130  0.7655  -0.29163  
N1   N     0.6124  0.4913  0.1388  -0.30980  
N1   N     0.6124  0.4913  0.4130  -0.29064  
N1   N     0.6124  0.4913  0.6872  -0.28993  
N1   N     0.6124  0.5087  0.3128  -0.28993  
N1   N     0.6124  0.5087  0.5870  -0.29064  
N1   N     0.6124  0.5087  0.8612  -0.30980  
N1   N     0.6124  0.5870  0.2345  -0.29163  
N1   N     0.6124  0.5870  0.5087  -0.29064  
N1   N     0.6124  0.5870  0.7829  -0.29133  
N1   N     0.6124  0.6872  0.2171  -0.30773  
N1   N     0.6124  0.6872  0.4913  -0.28993  
N1   N     0.6124  0.6872  0.7655  -0.30549  
N1   N     0.6124  0.7655  0.4130  -0.29163  
N1   N     0.6124  0.7655  0.6872  -0.30551  
N1   N     0.6124  0.7829  0.3128  -0.30773  
N1   N     0.6124  0.7829  0.5870  -0.29134  
N1   N     0.6124  0.8612  0.5087  -0.30981  
C3m  C     0.6137  0.2000  0.4743  -0.13979  
C3m  C     0.6137  0.2515  0.2515  -0.21685  
C3m  C     0.6137  0.2515  0.5257  -0.13735  
C3m  C     0.6137  0.4743  0.2000  -0.13979  
C3m  C     0.6137  0.4743  0.4743  -0.13721  
C3m  C     0.6137  0.4743  0.7485  -0.13735  
C3m  C     0.6137  0.5257  0.2515  -0.13735  
C3m  C     0.6137  0.5257  0.5257  -0.13721  
C3m  C     0.6137  0.5257  0.8000  -0.13979  
C3m  C     0.6137  0.7485  0.4743  -0.13735  
C3m  C     0.6137  0.7485  0.7485  -0.21687  
C3m  C     0.6137  0.8000  0.5257  -0.13979  
N1   N     0.6284  0.1757  0.5248  -0.30497  
N1   N     0.6284  0.2010  0.5501  -0.29079  
N1   N     0.6284  0.2505  0.4499  -0.29065  
N1   N     0.6284  0.2505  0.7241  -0.31031  
N1   N     0.6284  0.2759  0.4752  -0.29054  
N1   N     0.6284  0.2759  0.7495  -0.31031  
N1   N     0.6284  0.4499  0.2505  -0.29065  
N1   N     0.6284  0.4499  0.5248  -0.28942  
N1   N     0.6284  0.4499  0.7990  -0.29079  
N1   N     0.6284  0.4752  0.2759  -0.29054  
N1   N     0.6284  0.4752  0.5501  -0.28942  
N1   N     0.6284  0.4752  0.8243  -0.30497  
N1   N     0.6284  0.5248  0.1757  -0.30497  
N1   N     0.6284  0.5248  0.4499  -0.28942  
N1   N     0.6284  0.5248  0.7241  -0.29054  
N1   N     0.6284  0.5501  0.2010  -0.29079  
N1   N     0.6284  0.5501  0.4752  -0.28942  
N1   N     0.6284  0.5501  0.7495  -0.29065  
N1   N     0.6284  0.7241  0.2505  -0.31031  
N1   N     0.6284  0.7241  0.5248  -0.29054  
N1   N     0.6284  0.7495  0.2759  -0.31031  
N1   N     0.6284  0.7495  0.5501  -0.29065  
N1   N     0.6284  0.7990  0.4499  -0.29079  
N1   N     0.6284  0.8243  0.4752  -0.30498  
C1   C     0.6349  0.1921  0.4663   0.11743  
C1   C     0.6349  0.2595  0.2595   0.10430  
C1   C     0.6349  0.2595  0.5337   0.11819  
C1   C     0.6349  0.4663  0.1921   0.11743  
C1   C     0.6349  0.4663  0.4663   0.11901  
C1   C     0.6349  0.4663  0.7405   0.11819  
C1   C     0.6349  0.5337  0.2595   0.11819  
C1   C     0.6349  0.5337  0.5337   0.11901  
C1   C     0.6349  0.5337  0.8079   0.11743  
C1   C     0.6349  0.7405  0.4663   0.11819  
C1   C     0.6349  0.7405  0.7405   0.10430  
C1   C     0.6349  0.8079  0.5337   0.11742  
Zn1  Zn2+  0.6371  0.2258  0.4314   1.17867  
Zn1  Zn2+  0.6371  0.2258  0.5686   1.17865  
Zn1  Zn2+  0.6371  0.2943  0.5000   1.17912  
Zn1  Zn2+  0.6371  0.4314  0.2258   1.17867  
Zn1  Zn2+  0.6371  0.4314  0.5000   1.17928  
Zn1  Zn2+  0.6371  0.4314  0.7742   1.17865  
Zn1  Zn2+  0.6371  0.5000  0.2943   1.17912  
Zn1  Zn2+  0.6371  0.5000  0.4314   1.17928  
Zn1  Zn2+  0.6371  0.5000  0.5686   1.17928  
Zn1  Zn2+  0.6371  0.5000  0.7057   1.17912  
Zn1  Zn2+  0.6371  0.5686  0.2258   1.17865  
Zn1  Zn2+  0.6371  0.5686  0.5000   1.17928  
Zn1  Zn2+  0.6371  0.5686  0.7742   1.17867  
Zn1  Zn2+  0.6371  0.7057  0.5000   1.17912  
Zn1  Zn2+  0.6371  0.7742  0.4314   1.17865  
Zn1  Zn2+  0.6371  0.7742  0.5686   1.17867  
C1   C     0.6393  0.1921  0.5337   0.11324  
C1   C     0.6393  0.2595  0.4663   0.12003  
C1   C     0.6393  0.2595  0.7405   0.10558  
C1   C     0.6393  0.4663  0.2595   0.12003  
C1   C     0.6393  0.4663  0.5337   0.11900  
C1   C     0.6393  0.4663  0.8079   0.11324  
C1   C     0.6393  0.5337  0.1921   0.11324  
C1   C     0.6393  0.5337  0.4663   0.11900  
C1   C     0.6393  0.5337  0.7405   0.12003  
C1   C     0.6393  0.7405  0.2595   0.10558  
C1   C     0.6393  0.7405  0.5337   0.12003  
C1   C     0.6393  0.8079  0.4663   0.11323  
N1   N     0.6458  0.1757  0.4752  -0.30695  
N1   N     0.6458  0.2010  0.4499  -0.29208  
N1   N     0.6458  0.2505  0.2759  -0.30992  
N1   N     0.6458  0.2505  0.5501  -0.29061  
N1   N     0.6458  0.2759  0.2505  -0.30992  
N1   N     0.6458  0.2759  0.5248  -0.29037  
N1   N     0.6458  0.4499  0.2010  -0.29208  
N1   N     0.6458  0.4499  0.4752  -0.28940  
N1   N     0.6458  0.4499  0.7495  -0.29061  
N1   N     0.6458  0.4752  0.1757  -0.30695  
N1   N     0.6458  0.4752  0.4499  -0.28940  
N1   N     0.6458  0.4752  0.7241  -0.29037  
N1   N     0.6458  0.5248  0.2759  -0.29037  
N1   N     0.6458  0.5248  0.5501  -0.28940  
N1   N     0.6458  0.5248  0.8243  -0.30695  
N1   N     0.6458  0.5501  0.2505  -0.29061  
N1   N     0.6458  0.5501  0.5248  -0.28940  
N1   N     0.6458  0.5501  0.7990  -0.29208  
N1   N     0.6458  0.7241  0.4752  -0.29037  
N1   N     0.6458  0.7241  0.7495  -0.30992  
N1   N     0.6458  0.7495  0.4499  -0.29062  
N1   N     0.6458  0.7495  0.7241  -0.30993  
N1   N     0.6458  0.7990  0.5501  -0.29208  
N1   N     0.6458  0.8243  0.5248  -0.30695  
C3m  C     0.6605  0.2000  0.5257  -0.16942  
C3m  C     0.6605  0.2515  0.4743  -0.14655  
C3m  C     0.6605  0.2515  0.7485  -0.22676  
C3m  C     0.6605  0.4743  0.2515  -0.14655  
C3m  C     0.6605  0.4743  0.5257  -0.13728  
C3m  C     0.6605  0.4743  0.8000  -0.16942  
C3m  C     0.6605  0.5257  0.2000  -0.16942  
C3m  C     0.6605  0.5257  0.4743  -0.13728  
C3m  C     0.6605  0.5257  0.7485  -0.14655  
C3m  C     0.6605  0.7485  0.2515  -0.22678  
C3m  C     0.6605  0.7485  0.5257  -0.14657  
C3m  C     0.6605  0.8000  0.4743  -0.16948  
N1   N     0.6619  0.2171  0.3128  -0.30808  
N1   N     0.6619  0.2171  0.5870  -0.29287  
N1   N     0.6619  0.2345  0.4130  -0.29160  
N1   N     0.6619  0.2345  0.6872  -0.30607  
N1   N     0.6619  0.3128  0.2171  -0.30808  
N1   N     0.6619  0.3128  0.4913  -0.28986  
N1   N     0.6619  0.3128  0.7655  -0.30607  
N1   N     0.6619  0.4130  0.2345  -0.29160  
N1   N     0.6619  0.4130  0.5087  -0.29019  
N1   N     0.6619  0.4130  0.7829  -0.29287  
N1   N     0.6619  0.4913  0.3128  -0.28986  
N1   N     0.6619  0.4913  0.5870  -0.29019  
N1   N     0.6619  0.5087  0.4130  -0.29019  
N1   N     0.6619  0.5087  0.6872  -0.28986  
N1   N     0.6619  0.5870  0.2171  -0.29287  
N1   N     0.6619  0.5870  0.4913  -0.29019  
N1   N     0.6619  0.5870  0.7655  -0.29160  
N1   N     0.6619  0.6872  0.2345  -0.30607  
N1   N     0.6619  0.6872  0.5087  -0.28986  
N1   N     0.6619  0.6872  0.7829  -0.30809  
N1   N     0.6619  0.7655  0.3128  -0.30607  
N1   N     0.6619  0.7655  0.5870  -0.29161  
N1   N     0.6619  0.7829  0.4130  -0.29293  
N1   N     0.6619  0.7829  0.6872  -0.30643  
C3m  C     0.6629  0.2023  0.3886  -0.17166  
C3m  C     0.6629  0.2023  0.6629  -0.19553  
C3m  C     0.6629  0.2492  0.3371  -0.14168  
C3m  C     0.6629  0.2492  0.6114  -0.13961  
C3m  C     0.6629  0.3371  0.2492  -0.14168  
C3m  C     0.6629  0.3371  0.5234  -0.13792  
C3m  C     0.6629  0.3371  0.7977  -0.19553  
C3m  C     0.6629  0.3886  0.2023  -0.17165  
C3m  C     0.6629  0.3886  0.4766  -0.13748  
C3m  C     0.6629  0.3886  0.7508  -0.13961  
C3m  C     0.6629  0.4766  0.3886  -0.13748  
C3m  C     0.6629  0.4766  0.6629  -0.13792  
C3m  C     0.6629  0.5234  0.3371  -0.13792  
C3m  C     0.6629  0.5234  0.6114  -0.13748  
C3m  C     0.6629  0.6114  0.2492  -0.13961  
C3m  C     0.6629  0.6114  0.5234  -0.13748  
C3m  C     0.6629  0.6114  0.7977  -0.17166  
C3m  C     0.6629  0.6629  0.2023  -0.19553  
C3m  C     0.6629  0.6629  0.4766  -0.13792  
C3m  C     0.6629  0.6629  0.7508  -0.14169  
C3m  C     0.6629  0.7508  0.3886  -0.13967  
C3m  C     0.6629  0.7508  0.6629  -0.14169  
C3m  C     0.6629  0.7977  0.3371  -0.19582  
C3m  C     0.6629  0.7977  0.6114  -0.17197  
C2   C     0.6648  0.1744  0.4639  -0.01665  
C2   C     0.6648  0.1897  0.4486  -0.007094 
C2   C     0.6648  0.2618  0.2772  -0.01335  
C2   C     0.6648  0.2618  0.5514  -0.003535 
C2   C     0.6648  0.2772  0.2618  -0.01335  
C2   C     0.6648  0.2772  0.5361  -0.003615 
C2   C     0.6648  0.4486  0.1897  -0.00708  
C2   C     0.6648  0.4486  0.4639  -0.001792 
C2   C     0.6648  0.4486  0.7382  -0.003537 
C2   C     0.6648  0.4639  0.1744  -0.01665  
C2   C     0.6648  0.4639  0.4486  -0.001792 
C2   C     0.6648  0.4639  0.7228  -0.003616 
C2   C     0.6648  0.5361  0.2772  -0.003617 
C2   C     0.6648  0.5361  0.5514  -0.001793 
C2   C     0.6648  0.5361  0.8256  -0.01665  
C2   C     0.6648  0.5514  0.2618  -0.003537 
C2   C     0.6648  0.5514  0.5361  -0.001793 
C2   C     0.6648  0.5514  0.8103  -0.00709  
C2   C     0.6648  0.7228  0.4639  -0.003621 
C2   C     0.6648  0.7228  0.7382  -0.01336  
C2   C     0.6648  0.7382  0.4486  -0.003538 
C2   C     0.6648  0.7382  0.7228  -0.01335  
C2   C     0.6648  0.8103  0.5514  -0.007108 
C2   C     0.6648  0.8256  0.5361  -0.01667  
H2   H     0.6706  0.1871  0.3016  -0.03307  
H2   H     0.6706  0.1871  0.5758  -0.01110  
H2   H     0.6706  0.2645  0.4242   0.004033 
H2   H     0.6706  0.2645  0.6984   0.001124 
H2   H     0.6706  0.3016  0.1871  -0.03306  
H2   H     0.6706  0.3016  0.4613   0.004774 
H2   H     0.6706  0.3016  0.7355   0.001127 
H2   H     0.6706  0.4242  0.2645   0.004036 
H2   H     0.6706  0.4242  0.5387   0.005876 
H2   H     0.6706  0.4242  0.8129  -0.01110  
H2   H     0.6706  0.4613  0.3016   0.004776 
H2   H     0.6706  0.4613  0.5758   0.005876 
H2   H     0.6706  0.5387  0.4242   0.005874 
H2   H     0.6706  0.5387  0.6984   0.00477  
H2   H     0.6706  0.5758  0.1871  -0.01110  
H2   H     0.6706  0.5758  0.4613   0.005873 
H2   H     0.6706  0.5758  0.7355   0.004037 
H2   H     0.6706  0.6984  0.2645   0.001116 
H2   H     0.6706  0.6984  0.5387   0.00477  
H2   H     0.6706  0.6984  0.8129  -0.03307  
H2   H     0.6706  0.7355  0.3016   0.001127 
H2   H     0.6706  0.7355  0.5758   0.004035 
H2   H     0.6706  0.8129  0.4242  -0.01120  
H2   H     0.6706  0.8129  0.6984  -0.02912  
C1   C     0.6708  0.2236  0.3966   0.11277  
C1   C     0.6708  0.2236  0.6708   0.10547  
C1   C     0.6708  0.2280  0.3292   0.11759  
C1   C     0.6708  0.2280  0.6034   0.11715  
C1   C     0.6708  0.3292  0.2280   0.11759  
C1   C     0.6708  0.3292  0.5022   0.11900  
C1   C     0.6708  0.3292  0.7764   0.10547  
C1   C     0.6708  0.3966  0.2236   0.11277  
C1   C     0.6708  0.3966  0.4978   0.11901  
C1   C     0.6708  0.3966  0.7720   0.11715  
C1   C     0.6708  0.4978  0.3966   0.11901  
C1   C     0.6708  0.4978  0.6708   0.11900  
C1   C     0.6708  0.5022  0.3292   0.11900  
C1   C     0.6708  0.5022  0.6034   0.11901  
C1   C     0.6708  0.6034  0.2280   0.11715  
C1   C     0.6708  0.6034  0.5022   0.11901  
C1   C     0.6708  0.6034  0.7764   0.11277  
C1   C     0.6708  0.6708  0.2236   0.10547  
C1   C     0.6708  0.6708  0.4978   0.119    
C1   C     0.6708  0.6708  0.7720   0.11759  
C1   C     0.6708  0.7720  0.3966   0.11727  
C1   C     0.6708  0.7720  0.6708   0.11747  
C1   C     0.6708  0.7764  0.3292   0.10547  
C1   C     0.6708  0.7764  0.6034   0.11279  
C2   C     0.6732  0.1981  0.3115  -0.01762  
C2   C     0.6732  0.1981  0.5857  -0.006865 
C2   C     0.6732  0.2534  0.4143  -0.003583 
C2   C     0.6732  0.2534  0.6885  -0.00941  
C2   C     0.6732  0.3115  0.1981  -0.01762  
C2   C     0.6732  0.3115  0.4723  -0.003132 
C2   C     0.6732  0.3115  0.7466  -0.009413 
C2   C     0.6732  0.4143  0.2534  -0.003583 
C2   C     0.6732  0.4143  0.5277  -0.001261 
C2   C     0.6732  0.4143  0.8019  -0.006865 
C2   C     0.6732  0.4723  0.3115  -0.00312  
C2   C     0.6732  0.4723  0.5857  -0.001261 
C2   C     0.6732  0.5277  0.4143  -0.001262 
C2   C     0.6732  0.5277  0.6885  -0.003123 
C2   C     0.6732  0.5857  0.1981  -0.006866 
C2   C     0.6732  0.5857  0.4723  -0.001262 
C2   C     0.6732  0.5857  0.7466  -0.003585 
C2   C     0.6732  0.6885  0.2534  -0.009413 
C2   C     0.6732  0.6885  0.5277  -0.003138 
C2   C     0.6732  0.6885  0.8019  -0.01763  
C2   C     0.6732  0.7466  0.3115  -0.009428 
C2   C     0.6732  0.7466  0.5857  -0.003595 
C2   C     0.6732  0.8019  0.4143  -0.006997 
C2   C     0.6732  0.8019  0.6885  -0.02948  
H2   H     0.6758  0.1645  0.4665  -0.03063  
H2   H     0.6758  0.1923  0.4387  -0.01017  
H2   H     0.6758  0.2593  0.2871  -0.003296 
H2   H     0.6758  0.2593  0.5613   0.001992 
H2   H     0.6758  0.2871  0.2593  -0.003298 
H2   H     0.6758  0.2871  0.5335   0.003665 
H2   H     0.6758  0.4387  0.1923  -0.01017  
H2   H     0.6758  0.4387  0.4665   0.006089 
H2   H     0.6758  0.4387  0.7407   0.001992 
H2   H     0.6758  0.4665  0.1645  -0.03062  
H2   H     0.6758  0.4665  0.4387   0.006089 
H2   H     0.6758  0.4665  0.7129   0.003667 
H2   H     0.6758  0.5335  0.2871   0.003667 
H2   H     0.6758  0.5335  0.5613   0.006088 
H2   H     0.6758  0.5335  0.8355  -0.03062  
H2   H     0.6758  0.5613  0.2593   0.001997 
H2   H     0.6758  0.5613  0.5335   0.006087 
H2   H     0.6758  0.5613  0.8077  -0.01017  
H2   H     0.6758  0.7129  0.4665   0.003664 
H2   H     0.6758  0.7129  0.7407  -0.00330  
H2   H     0.6758  0.7407  0.4387   0.001979 
H2   H     0.6758  0.7407  0.7129  -0.003338 
H2   H     0.6758  0.8077  0.5613  -0.01021  
H2   H     0.6758  0.8355  0.5335  -0.03066  
N1   N     0.6872  0.2171  0.3381  -0.30808  
N1   N     0.6872  0.2171  0.6124  -0.30773  
N1   N     0.6872  0.2345  0.3876  -0.30549  
N1   N     0.6872  0.2345  0.6619  -0.30607  
N1   N     0.6872  0.3381  0.2171  -0.30808  
N1   N     0.6872  0.3381  0.4913  -0.28986  
N1   N     0.6872  0.3381  0.7655  -0.30607  
N1   N     0.6872  0.3876  0.2345  -0.30549  
N1   N     0.6872  0.3876  0.5087  -0.28993  
N1   N     0.6872  0.3876  0.7829  -0.30773  
N1   N     0.6872  0.4913  0.3381  -0.28986  
N1   N     0.6872  0.4913  0.6124  -0.28993  
N1   N     0.6872  0.5087  0.3876  -0.28993  
N1   N     0.6872  0.5087  0.6619  -0.28986  
N1   N     0.6872  0.6124  0.2171  -0.30773  
N1   N     0.6872  0.6124  0.4913  -0.28993  
N1   N     0.6872  0.6124  0.7655  -0.30549  
N1   N     0.6872  0.6619  0.2345  -0.30607  
N1   N     0.6872  0.6619  0.5087  -0.28986  
N1   N     0.6872  0.6619  0.7829  -0.30809  
N1   N     0.6872  0.7655  0.3381  -0.30613  
N1   N     0.6872  0.7655  0.6124  -0.30553  
N1   N     0.6872  0.7829  0.3876  -0.30873  
N1   N     0.6872  0.7829  0.6619  -0.31194  
C2   C     0.6881  0.8016  0.3999  -0.01674  
C2   C     0.6882  0.8012  0.6737   0.0008593
C2   C     0.6885  0.1981  0.3268  -0.01762  
C2   C     0.6885  0.1981  0.6010  -0.01805  
C2   C     0.6885  0.2534  0.3990  -0.007219 
C2   C     0.6885  0.2534  0.6732  -0.009412 
C2   C     0.6885  0.3268  0.1981  -0.01762  
C2   C     0.6885  0.3268  0.4723  -0.003132 
C2   C     0.6885  0.3268  0.7466  -0.009418 
C2   C     0.6885  0.3990  0.2534  -0.007218 
C2   C     0.6885  0.3990  0.5277  -0.002735 
C2   C     0.6885  0.3990  0.8019  -0.01805  
C2   C     0.6885  0.4723  0.3268  -0.00312  
C2   C     0.6885  0.4723  0.6010  -0.002735 
C2   C     0.6885  0.5277  0.3990  -0.002736 
C2   C     0.6885  0.5277  0.6732  -0.003123 
C2   C     0.6885  0.6010  0.1981  -0.01805  
C2   C     0.6885  0.6010  0.4723  -0.00273  
C2   C     0.6885  0.6010  0.7466  -0.007214 
C2   C     0.6885  0.6732  0.2534  -0.009413 
C2   C     0.6885  0.6732  0.5277  -0.003133 
C2   C     0.6885  0.6732  0.8019  -0.01763  
C2   C     0.6885  0.7466  0.3268  -0.009412 
C2   C     0.6885  0.7466  0.6010  -0.007213 
H2   H     0.6978  0.8128  0.3976  -0.02950  
H2   H     0.6981  0.8122  0.6712  -0.03918  
H2   H     0.6984  0.1871  0.3294  -0.03307  
H2   H     0.6984  0.1871  0.6036  -0.03164  
H2   H     0.6984  0.2645  0.3964   0.003094 
H2   H     0.6984  0.2645  0.6706   0.001123 
H2   H     0.6984  0.3294  0.1871  -0.03306  
H2   H     0.6984  0.3294  0.4613   0.004776 
H2   H     0.6984  0.3294  0.7355   0.001129 
H2   H     0.6984  0.3964  0.2645   0.003091 
H2   H     0.6984  0.3964  0.5387   0.006491 
H2   H     0.6984  0.3964  0.8129  -0.03164  
H2   H     0.6984  0.4613  0.3294   0.004776 
H2   H     0.6984  0.4613  0.6036   0.006491 
H2   H     0.6984  0.5387  0.3964   0.00649  
H2   H     0.6984  0.5387  0.6706   0.00477  
H2   H     0.6984  0.6036  0.1871  -0.03164  
H2   H     0.6984  0.6036  0.4613   0.006498 
H2   H     0.6984  0.6036  0.7355   0.003098 
H2   H     0.6984  0.6706  0.2645   0.00111  
H2   H     0.6984  0.6706  0.5387   0.004771 
H2   H     0.6984  0.6706  0.8129  -0.03307  
H2   H     0.6984  0.7355  0.3294   0.001114 
H2   H     0.6984  0.7355  0.6036   0.003094 
Zn1  Zn2+  0.7057  0.3629  0.5000   1.17912  
Zn1  Zn2+  0.7057  0.5000  0.3629   1.17912  
Zn1  Zn2+  0.7057  0.5000  0.6371   1.17912  
Zn1  Zn2+  0.7057  0.6371  0.5000   1.17912  
H2   H     0.7129  0.2593  0.3242  -0.003299 
H2   H     0.7129  0.2593  0.5984  -0.00041  
H2   H     0.7129  0.3242  0.2593  -0.003295 
H2   H     0.7129  0.3242  0.5335   0.003667 
H2   H     0.7129  0.4016  0.4665   0.006053 
H2   H     0.7129  0.4016  0.7407  -0.0004107
H2   H     0.7129  0.4665  0.4016   0.006053 
H2   H     0.7129  0.4665  0.6758   0.003667 
H2   H     0.7129  0.5335  0.3242   0.003667 
H2   H     0.7129  0.5335  0.5984   0.006052 
H2   H     0.7129  0.5984  0.2593  -0.0004198
H2   H     0.7129  0.5984  0.5335   0.006052 
H2   H     0.7129  0.6758  0.4665   0.00366  
H2   H     0.7129  0.6758  0.7407  -0.003303 
H2   H     0.7129  0.7407  0.4016  -0.0004502
H2   H     0.7129  0.7407  0.6758  -0.003354 
C2   C     0.7228  0.2618  0.3352  -0.01335  
C2   C     0.7228  0.2618  0.6094  -0.01244  
C2   C     0.7228  0.3352  0.2618  -0.01335  
C2   C     0.7228  0.3352  0.5361  -0.003619 
C2   C     0.7228  0.3906  0.4639  -0.00172  
C2   C     0.7228  0.3906  0.7382  -0.01244  
C2   C     0.7228  0.4639  0.3906  -0.00172  
C2   C     0.7228  0.4639  0.6648  -0.003616 
C2   C     0.7228  0.5361  0.3352  -0.003618 
C2   C     0.7228  0.5361  0.6094  -0.001722 
C2   C     0.7228  0.6094  0.2618  -0.01244  
C2   C     0.7228  0.6094  0.5361  -0.001726 
C2   C     0.7228  0.6648  0.4639  -0.003611 
C2   C     0.7228  0.6648  0.7382  -0.01335  
C2   C     0.7228  0.7382  0.3906  -0.01248  
C2   C     0.7228  0.7382  0.6648  -0.01338  
N1   N     0.7241  0.2505  0.3542  -0.30992  
N1   N     0.7241  0.2505  0.6284  -0.31031  
N1   N     0.7241  0.3542  0.2505  -0.30992  
N1   N     0.7241  0.3542  0.5248  -0.29037  
N1   N     0.7241  0.3716  0.4752  -0.29054  
N1   N     0.7241  0.3716  0.7495  -0.31031  
N1   N     0.7241  0.4752  0.3716  -0.29054  
N1   N     0.7241  0.4752  0.6458  -0.29037  
N1   N     0.7241  0.5248  0.3542  -0.29037  
N1   N     0.7241  0.5248  0.6284  -0.29054  
N1   N     0.7241  0.6284  0.2505  -0.31031  
N1   N     0.7241  0.6284  0.5248  -0.29054  
N1   N     0.7241  0.6458  0.4752  -0.29037  
N1   N     0.7241  0.6458  0.7495  -0.30992  
N1   N     0.7241  0.7495  0.3716  -0.31037  
N1   N     0.7241  0.7495  0.6458  -0.30997  
H2   H     0.7355  0.3016  0.3964   0.003097 
H2   H     0.7355  0.3016  0.6706   0.001127 
H2   H     0.7355  0.3294  0.4242   0.004035 
H2   H     0.7355  0.3294  0.6984   0.001129 
H2   H     0.7355  0.3964  0.3016   0.003091 
H2   H     0.7355  0.3964  0.5758   0.00578  
H2   H     0.7355  0.4242  0.3294   0.004036 
H2   H     0.7355  0.4242  0.6036   0.00578  
H2   H     0.7355  0.5758  0.3964   0.005788 
H2   H     0.7355  0.5758  0.6706   0.004038 
H2   H     0.7355  0.6036  0.4242   0.005787 
H2   H     0.7355  0.6036  0.6984   0.003097 
H2   H     0.7355  0.6706  0.3016   0.001112 
H2   H     0.7355  0.6706  0.5758   0.004038 
H2   H     0.7355  0.6984  0.3294   0.00111  
H2   H     0.7355  0.6984  0.6036   0.003096 
C2   C     0.7382  0.2772  0.3352  -0.01335  
C2   C     0.7382  0.2772  0.6094  -0.01244  
C2   C     0.7382  0.3352  0.2772  -0.01335  
C2   C     0.7382  0.3352  0.5514  -0.003538 
C2   C     0.7382  0.3906  0.4486  -0.002119 
C2   C     0.7382  0.3906  0.7228  -0.01244  
C2   C     0.7382  0.4486  0.3906  -0.002119 
C2   C     0.7382  0.4486  0.6648  -0.003538 
C2   C     0.7382  0.5514  0.3352  -0.003538 
C2   C     0.7382  0.5514  0.6094  -0.00211  
C2   C     0.7382  0.6094  0.2772  -0.01244  
C2   C     0.7382  0.6094  0.5514  -0.002114 
C2   C     0.7382  0.6648  0.4486  -0.003533 
C2   C     0.7382  0.6648  0.7228  -0.01335  
C2   C     0.7382  0.7228  0.3906  -0.01245  
C2   C     0.7382  0.7228  0.6648  -0.01337  
C1   C     0.7405  0.2595  0.3651   0.10430  
C1   C     0.7405  0.2595  0.6393   0.10558  
C1   C     0.7405  0.3607  0.4663   0.12003  
C1   C     0.7405  0.3607  0.7405   0.10558  
C1   C     0.7405  0.3651  0.2595   0.10430  
C1   C     0.7405  0.3651  0.5337   0.11819  
C1   C     0.7405  0.4663  0.3607   0.12003  
C1   C     0.7405  0.4663  0.6349   0.11819  
C1   C     0.7405  0.5337  0.3651   0.11819  
C1   C     0.7405  0.5337  0.6393   0.12003  
C1   C     0.7405  0.6349  0.4663   0.11819  
C1   C     0.7405  0.6349  0.7405   0.10430  
C1   C     0.7405  0.6393  0.2595   0.10558  
C1   C     0.7405  0.6393  0.5337   0.12003  
C1   C     0.7405  0.7405  0.3607   0.10555  
C1   C     0.7405  0.7405  0.6349   0.10428  
H2   H     0.7407  0.2871  0.3242  -0.003293 
H2   H     0.7407  0.2871  0.5984  -0.0004156
H2   H     0.7407  0.3242  0.2871  -0.003298 
H2   H     0.7407  0.3242  0.5613   0.001995 
H2   H     0.7407  0.4016  0.4387   0.006226 
H2   H     0.7407  0.4016  0.7129  -0.0004109
H2   H     0.7407  0.4387  0.4016   0.006226 
H2   H     0.7407  0.4387  0.6758   0.001992 
H2   H     0.7407  0.5613  0.3242   0.001996 
H2   H     0.7407  0.5613  0.5984   0.006225 
H2   H     0.7407  0.5984  0.2871  -0.0004135
H2   H     0.7407  0.5984  0.5613   0.006225 
H2   H     0.7407  0.6758  0.4387   0.001989 
H2   H     0.7407  0.6758  0.7129  -0.003308 
H2   H     0.7407  0.7129  0.4016  -0.0004242
H2   H     0.7407  0.7129  0.6758  -0.003304 
C2   C     0.7466  0.3115  0.3990  -0.007213 
C2   C     0.7466  0.3115  0.6732  -0.009417 
C2   C     0.7466  0.3268  0.4143  -0.00358  
C2   C     0.7466  0.3268  0.6885  -0.00941  
C2   C     0.7466  0.3990  0.3115  -0.007218 
C2   C     0.7466  0.3990  0.5857  -0.001322 
C2   C     0.7466  0.4143  0.3268  -0.003583 
C2   C     0.7466  0.4143  0.6010  -0.001322 
C2   C     0.7466  0.5857  0.3990  -0.001323 
C2   C     0.7466  0.5857  0.6732  -0.003585 
C2   C     0.7466  0.6010  0.4143  -0.001326 
C2   C     0.7466  0.6010  0.6885  -0.007214 
C2   C     0.7466  0.6732  0.3115  -0.00941  
C2   C     0.7466  0.6732  0.5857  -0.003582 
C2   C     0.7466  0.6885  0.3268  -0.009418 
C2   C     0.7466  0.6885  0.6010  -0.007214 
C3m  C     0.7485  0.2515  0.3863  -0.21685  
C3m  C     0.7485  0.2515  0.6605  -0.22676  
C3m  C     0.7485  0.3395  0.4743  -0.14655  
C3m  C     0.7485  0.3395  0.7485  -0.22676  
C3m  C     0.7485  0.3863  0.2515  -0.21685  
C3m  C     0.7485  0.3863  0.5257  -0.13735  
C3m  C     0.7485  0.4743  0.3395  -0.14655  
C3m  C     0.7485  0.4743  0.6137  -0.13735  
C3m  C     0.7485  0.5257  0.3863  -0.13735  
C3m  C     0.7485  0.5257  0.6605  -0.14655  
C3m  C     0.7485  0.6137  0.4743  -0.13735  
C3m  C     0.7485  0.6137  0.7485  -0.21685  
C3m  C     0.7485  0.6605  0.2515  -0.22676  
C3m  C     0.7485  0.6605  0.5257  -0.14656  
C3m  C     0.7485  0.7485  0.3395  -0.22686  
C3m  C     0.7485  0.7485  0.6137  -0.21693  
N1   N     0.7495  0.2759  0.3542  -0.30992  
N1   N     0.7495  0.2759  0.6284  -0.31031  
N1   N     0.7495  0.3542  0.2759  -0.30992  
N1   N     0.7495  0.3542  0.5501  -0.29061  
N1   N     0.7495  0.3716  0.4499  -0.29065  
N1   N     0.7495  0.3716  0.7241  -0.31031  
N1   N     0.7495  0.4499  0.3716  -0.29065  
N1   N     0.7495  0.4499  0.6458  -0.29061  
N1   N     0.7495  0.5501  0.3542  -0.29061  
N1   N     0.7495  0.5501  0.6284  -0.29065  
N1   N     0.7495  0.6284  0.2759  -0.31031  
N1   N     0.7495  0.6284  0.5501  -0.29065  
N1   N     0.7495  0.6458  0.4499  -0.29061  
N1   N     0.7495  0.6458  0.7241  -0.30992  
N1   N     0.7495  0.7241  0.3716  -0.31032  
N1   N     0.7495  0.7241  0.6458  -0.30992  
C3m  C     0.7508  0.3371  0.3371  -0.14168  
C3m  C     0.7508  0.3371  0.6114  -0.13961  
C3m  C     0.7508  0.3886  0.3886  -0.13732  
C3m  C     0.7508  0.3886  0.6629  -0.13961  
C3m  C     0.7508  0.6114  0.3371  -0.13961  
C3m  C     0.7508  0.6114  0.6114  -0.13732  
C3m  C     0.7508  0.6629  0.3886  -0.13961  
C3m  C     0.7508  0.6629  0.6629  -0.14169  
N1   N     0.7655  0.3128  0.3876  -0.30549  
N1   N     0.7655  0.3128  0.6619  -0.30607  
N1   N     0.7655  0.3381  0.4130  -0.29160  
N1   N     0.7655  0.3381  0.6872  -0.30607  
N1   N     0.7655  0.3876  0.3128  -0.30549  
N1   N     0.7655  0.3876  0.5870  -0.29163  
N1   N     0.7655  0.4130  0.3381  -0.29160  
N1   N     0.7655  0.4130  0.6124  -0.29163  
N1   N     0.7655  0.5870  0.3876  -0.29163  
N1   N     0.7655  0.5870  0.6619  -0.29160  
N1   N     0.7655  0.6124  0.4130  -0.29163  
N1   N     0.7655  0.6124  0.6872  -0.30549  
N1   N     0.7655  0.6619  0.3128  -0.30607  
N1   N     0.7655  0.6619  0.5870  -0.29160  
N1   N     0.7655  0.6872  0.3381  -0.30607  
N1   N     0.7655  0.6872  0.6124  -0.30549  
C1   C     0.7720  0.3292  0.3292   0.11759  
C1   C     0.7720  0.3292  0.6034   0.11715  
C1   C     0.7720  0.3966  0.3966   0.11766  
C1   C     0.7720  0.3966  0.6708   0.11715  
C1   C     0.7720  0.6034  0.3292   0.11715  
C1   C     0.7720  0.6034  0.6034   0.11766  
C1   C     0.7720  0.6708  0.3966   0.11715  
C1   C     0.7720  0.6708  0.6708   0.11759  
Zn1  Zn2+  0.7742  0.3629  0.4314   1.17867  
Zn1  Zn2+  0.7742  0.3629  0.5686   1.17865  
Zn1  Zn2+  0.7742  0.4314  0.3629   1.17867  
Zn1  Zn2+  0.7742  0.4314  0.6371   1.17865  
Zn1  Zn2+  0.7742  0.5686  0.3629   1.17865  
Zn1  Zn2+  0.7742  0.5686  0.6371   1.17867  
Zn1  Zn2+  0.7742  0.6371  0.4314   1.17865  
Zn1  Zn2+  0.7742  0.6371  0.5686   1.17867  
C1   C     0.7764  0.3292  0.3966   0.11277  
C1   C     0.7764  0.3292  0.6708   0.10547  
C1   C     0.7764  0.3966  0.3292   0.11277  
C1   C     0.7764  0.3966  0.6034   0.11962  
C1   C     0.7764  0.6034  0.3966   0.11962  
C1   C     0.7764  0.6034  0.6708   0.11277  
C1   C     0.7764  0.6708  0.3292   0.10547  
C1   C     0.7764  0.6708  0.6034   0.11277  
N1   N     0.7829  0.3128  0.3381  -0.30808  
N1   N     0.7829  0.3128  0.6124  -0.30773  
N1   N     0.7829  0.3381  0.3128  -0.30808  
N1   N     0.7829  0.3381  0.5870  -0.29287  
N1   N     0.7829  0.3876  0.4130  -0.29133  
N1   N     0.7829  0.3876  0.6872  -0.30773  
N1   N     0.7829  0.4130  0.3876  -0.29133  
N1   N     0.7829  0.4130  0.6619  -0.29287  
N1   N     0.7829  0.5870  0.3381  -0.29287  
N1   N     0.7829  0.5870  0.6124  -0.29133  
N1   N     0.7829  0.6124  0.3128  -0.30773  
N1   N     0.7829  0.6124  0.5870  -0.29133  
N1   N     0.7829  0.6619  0.4130  -0.29287  
N1   N     0.7829  0.6619  0.6872  -0.30809  
N1   N     0.7829  0.6872  0.3876  -0.30773  
N1   N     0.7829  0.6872  0.6619  -0.30809  
C3m  C     0.7977  0.3371  0.3886  -0.17165  
C3m  C     0.7977  0.3371  0.6629  -0.19553  
C3m  C     0.7977  0.3886  0.3371  -0.17165  
C3m  C     0.7977  0.3886  0.6114  -0.15161  
C3m  C     0.7977  0.6114  0.3886  -0.15161  
C3m  C     0.7977  0.6114  0.6629  -0.17166  
C3m  C     0.7977  0.6629  0.3371  -0.19554  
C3m  C     0.7977  0.6629  0.6114  -0.17166  
N1   N     0.7990  0.3542  0.4499  -0.29208  
N1   N     0.7990  0.3716  0.5501  -0.29079  
N1   N     0.7990  0.4499  0.3542  -0.29208  
N1   N     0.7990  0.4499  0.6284  -0.29079  
N1   N     0.7990  0.5501  0.3716  -0.29079  
N1   N     0.7990  0.5501  0.6458  -0.29208  
N1   N     0.7990  0.6284  0.4499  -0.29079  
N1   N     0.7990  0.6458  0.5501  -0.29208  
C3m  C     0.8000  0.3395  0.5257  -0.16942  
C3m  C     0.8000  0.3863  0.4743  -0.13979  
C3m  C     0.8000  0.4743  0.3863  -0.13979  
C3m  C     0.8000  0.4743  0.6605  -0.16942  
C3m  C     0.8000  0.5257  0.3395  -0.16942  
C3m  C     0.8000  0.5257  0.6137  -0.13979  
C3m  C     0.8000  0.6137  0.5257  -0.13979  
C3m  C     0.8000  0.6605  0.4743  -0.16943  
C2   C     0.8019  0.3115  0.3268  -0.01762  
C2   C     0.8019  0.3115  0.6010  -0.01805  
C2   C     0.8019  0.3268  0.3115  -0.01762  
C2   C     0.8019  0.3268  0.5857  -0.006863 
C2   C     0.8019  0.3990  0.4143  -0.004686 
C2   C     0.8019  0.3990  0.6885  -0.01805  
C2   C     0.8019  0.4143  0.3990  -0.004686 
C2   C     0.8019  0.4143  0.6732  -0.006867 
C2   C     0.8019  0.5857  0.3268  -0.006865 
C2   C     0.8019  0.5857  0.6010  -0.004692 
C2   C     0.8019  0.6010  0.3115  -0.01805  
C2   C     0.8019  0.6010  0.5857  -0.004692 
C2   C     0.8019  0.6732  0.4143  -0.00687  
C2   C     0.8019  0.6732  0.6885  -0.01763  
C2   C     0.8019  0.6885  0.3990  -0.01805  
C2   C     0.8019  0.6885  0.6732  -0.01763  
H2   H     0.8077  0.3242  0.4387  -0.01017  
H2   H     0.8077  0.4016  0.5613   0.003923 
H2   H     0.8077  0.4387  0.3242  -0.01017  
H2   H     0.8077  0.4387  0.5984   0.003923 
H2   H     0.8077  0.5613  0.4016   0.003921 
H2   H     0.8077  0.5613  0.6758  -0.01017  
H2   H     0.8077  0.5984  0.4387   0.003929 
H2   H     0.8077  0.6758  0.5613  -0.01017  
C1   C     0.8079  0.3607  0.5337   0.11324  
C1   C     0.8079  0.3651  0.4663   0.11743  
C1   C     0.8079  0.4663  0.3651   0.11743  
C1   C     0.8079  0.4663  0.6393   0.11324  
C1   C     0.8079  0.5337  0.3607   0.11324  
C1   C     0.8079  0.5337  0.6349   0.11743  
C1   C     0.8079  0.6349  0.5337   0.11743  
C1   C     0.8079  0.6393  0.4663   0.11324  
C2   C     0.8103  0.3352  0.4486  -0.007098 
C2   C     0.8103  0.3906  0.5514  -0.005728 
C2   C     0.8103  0.4486  0.3352  -0.007082 
C2   C     0.8103  0.4486  0.6094  -0.005725 
C2   C     0.8103  0.5514  0.3906  -0.005729 
C2   C     0.8103  0.5514  0.6648  -0.007092 
C2   C     0.8103  0.6094  0.4486  -0.005722 
C2   C     0.8103  0.6648  0.5514  -0.007095 
H2   H     0.8129  0.3016  0.3294  -0.03306  
H2   H     0.8129  0.3016  0.6036  -0.03164  
H2   H     0.8129  0.3294  0.3016  -0.03306  
H2   H     0.8129  0.3294  0.5758  -0.01110  
H2   H     0.8129  0.3964  0.4242   0.000981 
H2   H     0.8129  0.3964  0.6984  -0.03164  
H2   H     0.8129  0.4242  0.3964   0.0009842
H2   H     0.8129  0.4242  0.6706  -0.01110  
H2   H     0.8129  0.5758  0.3294  -0.01110  
H2   H     0.8129  0.5758  0.6036   0.0009897
H2   H     0.8129  0.6036  0.3016  -0.03164  
H2   H     0.8129  0.6036  0.5758   0.0009827
H2   H     0.8129  0.6706  0.4242  -0.01110  
H2   H     0.8129  0.6706  0.6984  -0.03307  
H2   H     0.8129  0.6984  0.3964  -0.03165  
H2   H     0.8129  0.6984  0.6706  -0.03308  
N1   N     0.8243  0.3542  0.4752  -0.30695  
N1   N     0.8243  0.3716  0.5248  -0.30497  
N1   N     0.8243  0.4752  0.3542  -0.30695  
N1   N     0.8243  0.4752  0.6284  -0.30497  
N1   N     0.8243  0.5248  0.3716  -0.30497  
N1   N     0.8243  0.5248  0.6458  -0.30695  
N1   N     0.8243  0.6284  0.4752  -0.30497  
N1   N     0.8243  0.6458  0.5248  -0.30695  
C2   C     0.8256  0.3352  0.4639  -0.01665  
C2   C     0.8256  0.3906  0.5361  -0.00778  
C2   C     0.8256  0.4639  0.3352  -0.01665  
C2   C     0.8256  0.4639  0.6094  -0.007785 
C2   C     0.8256  0.5361  0.3906  -0.007788 
C2   C     0.8256  0.5361  0.6648  -0.01665  
C2   C     0.8256  0.6094  0.4639  -0.007786 
C2   C     0.8256  0.6648  0.5361  -0.01665  
H2   H     0.8355  0.3242  0.4665  -0.03062  
H2   H     0.8355  0.4016  0.5335   0.002361 
H2   H     0.8355  0.4665  0.3242  -0.03062  
H2   H     0.8355  0.4665  0.5984   0.002362 
H2   H     0.8355  0.5335  0.4016   0.002363 
H2   H     0.8355  0.5335  0.6758  -0.03062  
H2   H     0.8355  0.5984  0.4665   0.002362 
H2   H     0.8355  0.6758  0.5335  -0.03063  
H2   H     0.8501  0.3964  0.4613  -0.001067 
H2   H     0.8501  0.4613  0.3964  -0.001062 
H2   H     0.8501  0.5387  0.6036  -0.001065 
H2   H     0.8501  0.6036  0.5387  -0.001069 
C2   C     0.8599  0.3990  0.4723  -0.01395  
C2   C     0.8599  0.4723  0.3990  -0.01395  
C2   C     0.8599  0.5277  0.6010  -0.01395  
C2   C     0.8599  0.6010  0.5277  -0.01395  
N1   N     0.8612  0.3876  0.4913  -0.30980  
N1   N     0.8612  0.4913  0.3876  -0.30980  
N1   N     0.8612  0.5087  0.6124  -0.30980  
N1   N     0.8612  0.6124  0.5087  -0.30980  
H2   H     0.8726  0.4387  0.5335   0.001779 
H2   H     0.8726  0.4665  0.5613   0.001779 
H2   H     0.8726  0.5335  0.4387   0.001779 
H2   H     0.8726  0.5613  0.4665   0.001777 
C2   C     0.8753  0.4143  0.4723  -0.01240  
C2   C     0.8753  0.4723  0.4143  -0.01240  
C2   C     0.8753  0.5277  0.5857  -0.01240  
C2   C     0.8753  0.5857  0.5277  -0.01240  
C1   C     0.8776  0.3966  0.5022   0.10485  
C1   C     0.8776  0.4978  0.6034   0.10485  
C1   C     0.8776  0.5022  0.3966   0.10485  
C1   C     0.8776  0.6034  0.4978   0.10485  
H2   H     0.8778  0.4242  0.4613  -0.003068 
H2   H     0.8778  0.4613  0.4242  -0.003068 
H2   H     0.8778  0.5387  0.5758  -0.003074 
H2   H     0.8778  0.5758  0.5387  -0.003072 
C2   C     0.8837  0.4486  0.5361  -0.008926 
C2   C     0.8837  0.4639  0.5514  -0.008926 
C2   C     0.8837  0.5361  0.4486  -0.008923 
C2   C     0.8837  0.5514  0.4639  -0.008922 
C3m  C     0.8856  0.3886  0.5234  -0.22254  
C3m  C     0.8856  0.4766  0.6114  -0.22254  
C3m  C     0.8856  0.5234  0.3886  -0.22254  
C3m  C     0.8856  0.6114  0.4766  -0.22255  
N1   N     0.8866  0.4130  0.4913  -0.31081  
N1   N     0.8866  0.4913  0.4130  -0.31081  
N1   N     0.8866  0.5087  0.5870  -0.31081  
N1   N     0.8866  0.5870  0.5087  -0.31081  
C3m  C     0.8879  0.4743  0.4743  -0.14098  
C3m  C     0.8879  0.5257  0.5257  -0.14098  
N1   N     0.9026  0.4499  0.5248  -0.30606  
N1   N     0.9026  0.4752  0.5501  -0.30606  
N1   N     0.9026  0.5248  0.4499  -0.30606  
N1   N     0.9026  0.5501  0.4752  -0.30606  
C1   C     0.9091  0.4663  0.4663   0.11693  
C1   C     0.9091  0.5337  0.5337   0.11693  
C1   C     0.9135  0.4663  0.5337   0.10505  
C1   C     0.9135  0.5337  0.4663   0.10505  
N1   N     0.9200  0.4499  0.4752  -0.30857  
N1   N     0.9200  0.4752  0.4499  -0.30857  
N1   N     0.9200  0.5248  0.5501  -0.30857  
N1   N     0.9200  0.5501  0.5248  -0.30857  
C3m  C     0.9348  0.4743  0.5257  -0.19712  
C3m  C     0.9348  0.5257  0.4743  -0.19712  
C2   C     0.9390  0.4486  0.4639  -0.01834  
C2   C     0.9390  0.4639  0.4486  -0.01834  
C2   C     0.9390  0.5361  0.5514  -0.01834  
C2   C     0.9390  0.5514  0.5361  -0.01834  
H2   H     0.9500  0.4387  0.4665  -0.03567  
H2   H     0.9500  0.4665  0.4387  -0.03567  
H2   H     0.9500  0.5335  0.5613  -0.03567  
H2   H     0.9500  0.5613  0.5335  -0.03567  

