data_r2wrvsf
# 
loop_
_audit.revision_id 
_audit.creation_date 
_audit.update_record 
1_0 2009-09-02 'Initial release'                        
1_1 2012-06-01 'Format standardization'                 
4_0 2013-03-20 'Format standardization and re-release.' 
# 
_cell.entry_id      2wrv 
_cell.length_a      39.170 
_cell.length_b      39.170 
_cell.length_c      123.593 
_cell.angle_alpha   90.00 
_cell.angle_beta    90.00 
_cell.angle_gamma   90.00 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.933 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.153 
_diffrn_reflns.pdbx_d_res_low    37.340 
_diffrn_reflns.number            2881 
# 
_entry.id   2wrv 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               2wrv 
_symmetry.space_group_name_H-M   'I 41 2 2' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.pdbx_I_plus
_refln.pdbx_I_plus_sigma
_refln.pdbx_I_minus
_refln.pdbx_I_minus_sigma
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1    0    0   12 o   1508.7   23.0 22843.0020 693.6783 22843.0020 693.6783     0.0     0.0 
1 1 1    0    0   16 o    152.9    2.7   234.0719   8.3004   234.0719   8.3004     0.0     0.0 
1 1 1    0    0   20 o    594.9    6.9  3542.3835  82.2928  3542.3835  82.2928     0.0     0.0 
1 1 1    0    0   24 o   1013.0   11.3 10279.0068 229.5660 10279.0068 229.5660     0.0     0.0 
1 1 1    0    0   28 o    856.1    9.8  7336.1514 167.1942  7336.1514 167.1942     0.0     0.0 
1 1 1    0    0   32 o    703.0    8.5  4947.2900 119.2889  4947.2900 119.2889     0.0     0.0 
1 1 1    0    0   36 o    777.7   10.0  6056.9375 156.0480  6056.9375 156.0480     0.0     0.0 
1 1 1    0    0   40 o     23.7   13.3     7.5890   9.4862     7.5890   9.4862     0.0     0.0 
1 1 1    0    0   44 o    426.3    5.9  1820.1643  50.2769  1820.1643  50.2769     0.0     0.0 
1 1 1    0    0   48 o    108.1    5.7   118.1032  12.3321   118.1032  12.3321     0.0     0.0 
1 1 1    0    0   52 o    633.2    7.0  4021.4365  89.1703  4021.4365  89.1703     0.0     0.0 
1 1 1    0    0   56 o     15.3   11.0   -21.1068  14.9408   -21.1068  14.9408     0.0     0.0 
1 1 1    1    0    5 o    122.3    1.0   149.6448   2.3715   149.6448   2.3715     0.0     0.0 
1 1 1    1    0    7 o    363.5    2.3  1321.9019  16.3637  1321.9019  16.3637     0.0     0.0 
1 1 1    1    0    9 o     34.7    1.4    12.0949   0.9486    12.0949   0.9486     0.0     0.0 
1 1 1    1    0   11 o    126.8    1.1   160.7911   2.8459   160.7911   2.8459     0.0     0.0 
1 1 1    1    0   13 o     70.0    1.4    49.0911   1.8972    49.0911   1.8972     0.0     0.0 
1 1 1    1    0   15 o    154.4    1.4   238.5779   4.2688   238.5779   4.2688     0.0     0.0 
1 1 1    1    0   17 o    404.5    2.6  1636.8435  21.1068  1636.8435  21.1068     0.0     0.0 
1 1 1    1    0   19 o    190.6    1.6   363.3214   5.9289   363.3214   5.9289     0.0     0.0 
1 1 1    1    0   21 o    154.1    1.5   237.6293   4.5059   237.6293   4.5059     0.0     0.0 
1 1 1    1    0   23 o     93.0    1.7    86.5616   3.0830    86.5616   3.0830     0.0     0.0 
1 1 1    1    0   25 o    198.9    1.7   395.5745   6.8775   395.5745   6.8775     0.0     0.0 
1 1 1    1    0   27 o    314.7    2.1   990.3591  13.5178   990.3591  13.5178     0.0     0.0 
1 1 1    1    0   29 o    493.3    3.0  2434.6328  29.8815  2434.6328  29.8815     0.0     0.0 
1 1 1    1    0   31 o    291.5    2.1   849.7262  12.3321   849.7262  12.3321     0.0     0.0 
1 1 1    1    0   33 o    117.7    2.0   138.7357   4.7431   138.7357   4.7431     0.0     0.0 
1 1 1    1    0   35 o     20.8   10.4     6.4032   5.2174     6.4032   5.2174     0.0     0.0 
1 1 1    1    0   37 o     54.4    4.2    30.1187   4.5059    30.1187   4.5059     0.0     0.0 
1 1 1    1    0   39 o    433.8    2.9  1883.2474  24.9013  1883.2474  24.9013     0.0     0.0 
1 1 1    1    0   41 o    307.4    2.2   945.2997  13.7550   945.2997  13.7550     0.0     0.0 
1 1 1    1    0   43 o     78.8    3.5    62.6089   5.4546    62.6089   5.4546     0.0     0.0 
1 1 1    1    0   45 f    303.6    2.3   922.2957  13.9921   922.2957  13.9921     0.0     0.0 
1 1 1    1    0   47 o      9.1    6.7   -15.8894   7.1146   -15.8894   7.1146     0.0     0.0 
1 1 1    1    0   49 o    124.1    2.8   154.3879   6.8775   154.3879   6.8775     0.0     0.0 
1 1 1    1    0   51 o    174.6    2.5   305.4556   8.7747   305.4556   8.7747     0.0     0.0 
1 1 1    1    0   53 o     14.0    9.4    -1.4229   6.8775    -1.4229   6.8775     0.0     0.0 
1 1 1    1    0   55 o     85.2    8.4    76.6011  13.9921    76.6011  13.9921     0.0     0.0 
1 1 1    1    0   57 o     12.9    8.7    -2.3715   6.4032    -2.3715   6.4032     0.0     0.0 
1 1 1    1    1    2 o    132.4    1.8   175.4947   4.7431   175.4947   4.7431     0.0     0.0 
1 1 1    1    1    4 o    212.2    1.5   450.3573   6.4032   450.3573   6.4032     0.0     0.0 
1 1 1    1    1    6 o     31.9    1.1    10.1977   0.7115    10.1977   0.7115     0.0     0.0 
1 1 1    1    1    8 o     35.1    1.0    12.3321   0.7115    12.3321   0.7115     0.0     0.0 
1 1 1    1    1   10 o     41.8    1.1    17.5495   0.9486    17.5495   0.9486     0.0     0.0 
1 1 1    1    1   12 o    621.8    3.8  3867.9973  46.7195  3867.9973  46.7195     0.0     0.0 
1 1 1    1    1   14 o    307.5    2.1   945.7739  12.8064   945.7739  12.8064     0.0     0.0 
1 1 1    1    1   16 o    183.4    1.5   336.2857   5.4546   336.2857   5.4546     0.0     0.0 
1 1 1    1    1   18 o     64.5    1.7    41.7393   2.1344    41.7393   2.1344     0.0     0.0 
1 1 1    1    1   20 o    214.6    1.7   460.5549   7.3518   460.5549   7.3518     0.0     0.0 
1 1 1    1    1   22 o     27.9    4.5     8.3004   2.3715     8.3004   2.3715     0.0     0.0 
1 1 1    1    1   24 o    303.2    2.2   919.4498  13.2807   919.4498  13.2807     0.0     0.0 
1 1 1    1    1   26 o     93.6    1.9    87.7473   3.5573    87.7473   3.5573     0.0     0.0 
1 1 1    1    1   28 f     68.2    3.0    46.7195   4.0316    46.7195   4.0316     0.0     0.0 
1 1 1    1    1   30 o    191.1    1.9   365.4558   7.1146   365.4558   7.1146     0.0     0.0 
1 1 1    1    1   32 o    485.2    3.2  2355.6602  30.5930  2355.6602  30.5930     0.0     0.0 
1 1 1    1    1   34 o    216.1    1.8   466.9581   7.8261   466.9581   7.8261     0.0     0.0 
1 1 1    1    1   36 o     83.2    3.0    69.4864   4.9803    69.4864   4.9803     0.0     0.0 
1 1 1    1    1   38 o    259.7    2.1   674.7059  10.9091   674.7059  10.9091     0.0     0.0 
1 1 1    1    1   40 o     52.2    4.8    27.9843   4.9803    27.9843   4.9803     0.0     0.0 
1 1 1    1    1   42 f    219.6    2.2   482.6104   9.4862   482.6104   9.4862     0.0     0.0 
1 1 1    1    1   44 o    117.1    2.5   137.3127   5.9289   137.3127   5.9289     0.0     0.0 
1 1 1    1    1   46 o     40.8   10.4    19.6839   7.3518    19.6839   7.3518     0.0     0.0 
1 1 1    1    1   48 o     94.3    3.2    89.4074   5.9289    89.4074   5.9289     0.0     0.0 
1 1 1    1    1   50 o     11.7    8.1    -4.0316   6.1660    -4.0316   6.1660     0.0     0.0 
1 1 1    1    1   52 f    156.8    2.6   246.4040   8.3004   246.4040   8.3004     0.0     0.0 
1 1 1    1    1   54 o     26.3   11.9    10.4348   6.6403    10.4348   6.6403     0.0     0.0 
1 1 1    1    1   56 o     18.2   10.9     4.0316   6.8775     4.0316   6.8775     0.0     0.0 
1 1 1    2    0    2 o    222.7    2.8   496.1282  12.3321   496.1282  12.3321     0.0     0.0 
1 1 1    2    0    4 o     46.9    0.8    22.0554   0.7115    22.0554   0.7115     0.0     0.0 
1 1 1    2    0    6 o     23.8    1.0     5.6917   0.4743     5.6917   0.4743     0.0     0.0 
1 1 1    2    0    8 o     87.8    0.8    77.0754   1.4229    77.0754   1.4229     0.0     0.0 
1 1 1    2    0   10 o    275.5    1.8   759.1331   9.9605   759.1331   9.9605     0.0     0.0 
1 1 1    2    0   12 o    291.4    2.0   849.4891  11.3834   849.4891  11.3834     0.0     0.0 
1 1 1    2    0   14 o    249.4    1.8   622.0574   9.0119   622.0574   9.0119     0.0     0.0 
1 1 1    2    0   16 o    117.9    1.3   138.9728   3.0830   138.9728   3.0830     0.0     0.0 
1 1 1    2    0   18 o    138.7    1.5   192.3327   4.0316   192.3327   4.0316     0.0     0.0 
1 1 1    2    0   20 o    207.6    1.7   431.1477   6.8775   431.1477   6.8775     0.0     0.0 
1 1 1    2    0   22 o    145.4    1.5   211.5422   4.5059   211.5422   4.5059     0.0     0.0 
1 1 1    2    0   24 o      6.7    4.8    -2.3715   2.3715    -2.3715   2.3715     0.0     0.0 
1 1 1    2    0   26 o    194.1    1.6   376.8392   6.4032   376.8392   6.4032     0.0     0.0 
1 1 1    2    0   28 o     74.7    2.4    55.9686   3.5573    55.9686   3.5573     0.0     0.0 
1 1 1    2    0   30 o    198.0    1.8   392.2543   7.1146   392.2543   7.1146     0.0     0.0 
1 1 1    2    0   32 o    104.4    2.4   109.0913   4.9803   109.0913   4.9803     0.0     0.0 
1 1 1    2    0   34 o     10.6    7.6    -8.5376   6.6403    -8.5376   6.6403     0.0     0.0 
1 1 1    2    0   36 o    120.2    2.9   144.6645   6.8775   144.6645   6.8775     0.0     0.0 
1 1 1    2    0   38 o    143.2    2.2   205.1390   6.4032   205.1390   6.4032     0.0     0.0 
1 1 1    2    0   40 o     37.9    7.3    15.8894   4.9803    15.8894   4.9803     0.0     0.0 
1 1 1    2    0   42 o     75.1    4.0    56.9172   5.9289    56.9172   5.9289     0.0     0.0 
1 1 1    2    0   44 o    180.9    2.3   327.7481   8.3004   327.7481   8.3004     0.0     0.0 
1 1 1    2    0   46 o    120.1    3.2   144.6645   7.5890   144.6645   7.5890     0.0     0.0 
1 1 1    2    0   48 f    222.1    2.3   493.7566  10.1977   493.7566  10.1977     0.0     0.0 
1 1 1    2    0   50 o    114.9    3.2   132.5696   7.3518   132.5696   7.3518     0.0     0.0 
1 1 1    2    0   52 o     16.8   10.5     2.1344   7.1146     2.1344   7.1146     0.0     0.0 
1 1 1    2    0   54 o     12.9    9.0    -6.8775   8.3004    -6.8775   8.3004     0.0     0.0 
1 1 1    2    0   56 o      9.9    7.1    -6.6403   5.6917    -6.6403   5.6917     0.0     0.0 
1 1 1    2    1    1 f    188.5    3.1   355.2581  11.8577   355.2581  11.8577       ?       ? 
1 1 1    2    1    3 o    430.6    4.8  1855.7375  41.2650  1855.7375  41.2650       ?       ? 
1 1 1    2    1    5 o    295.7    1.6   874.3904   9.2490   874.3904   9.2490       ?       ? 
1 1 1    2    1    7 o    200.4    1.0   401.7405   4.0316   401.7405   4.0316       ?       ? 
1 1 1    2    1    9 o    152.1    0.9   231.2261   2.6087   231.2261   2.6087       ?       ? 
1 1 1    2    1   11 f    449.5    1.8  2020.5603  16.6008  2020.5603  16.6008       ?       ? 
1 1 1    2    1   13 o     88.7    0.8    78.7355   1.4229    78.7355   1.4229       ?       ? 
1 1 1    2    1   15 o    303.6    1.4   922.0585   8.3004   922.0585   8.3004       ?       ? 
1 1 1    2    1   17 o    296.7    1.4   880.3192   8.0633   880.3192   8.0633       ?       ? 
1 1 1    2    1   19 o     39.3    1.8    15.4151   1.4229    15.4151   1.4229       ?       ? 
1 1 1    2    1   21 o    208.3    1.1   433.7564   4.7431   433.7564   4.7431       ?       ? 
1 1 1    2    1   23 o    254.8    1.3   649.0931   6.6403   649.0931   6.6403       ?       ? 
1 1 1    2    1   25 o    107.8    1.2   116.2059   2.6087   116.2059   2.6087       ?       ? 
1 1 1    2    1   27 o    172.7    1.2   298.3409   4.2688   298.3409   4.2688       ?       ? 
1 1 1    2    1   29 o    370.1    1.9  1370.2814  13.7550  1370.2814  13.7550       ?       ? 
1 1 1    2    1   31 o    154.1    1.5   237.6293   4.7431   237.6293   4.7431       ?       ? 
1 1 1    2    1   33 o    288.0    1.6   829.8052   9.2490   829.8052   9.2490       ?       ? 
1 1 1    2    1   35 o    227.6    1.9   518.1836   8.7747   518.1836   8.7747       ?       ? 
1 1 1    2    1   37 o    206.7    1.5   427.3532   6.1660   427.3532   6.1660       ?       ? 
1 1 1    2    1   39 o     77.6    2.4    60.2374   3.7945    60.2374   3.7945       ?       ? 
1 1 1    2    1   41 o    120.8    1.8   146.0874   4.2688   146.0874   4.2688       ?       ? 
1 1 1    2    1   43 o    183.7    1.5   337.7086   5.4546   337.7086   5.4546       ?       ? 
1 1 1    2    1   45 o    133.8    1.9   179.0520   4.9803   179.0520   4.9803       ?       ? 
1 1 1    2    1   47 o    185.1    1.7   342.9261   6.1660   342.9261   6.1660       ?       ? 
1 1 1    2    1   49 f     46.8    4.8    22.0554   4.5059    22.0554   4.5059       ?       ? 
1 1 1    2    1   51 o    100.4    2.5   101.0280   4.9803   101.0280   4.9803       ?       ? 
1 1 1    2    1   53 o     18.5    7.8     0.4743   4.9803     0.4743   4.9803       ?       ? 
1 1 1    2    1   55 o     13.9    6.8   -10.9091   6.1660   -10.9091   6.1660       ?       ? 
1 1 1    2    2    2 o    166.3    3.0   276.7598   9.9605   276.7598   9.9605     0.0     0.0 
1 1 1    2    2    4 o    349.5    3.3  1222.2968  23.2412  1222.2968  23.2412     0.0     0.0 
1 1 1    2    2    6 o    178.0    1.5   317.0762   5.4546   317.0762   5.4546     0.0     0.0 
1 1 1    2    2    8 o     99.1    1.1    98.1822   2.1344    98.1822   2.1344     0.0     0.0 
1 1 1    2    2   10 o    278.2    1.7   774.3110   9.7234   774.3110   9.7234     0.0     0.0 
1 1 1    2    2   12 o    176.4    1.3   311.3845   4.5059   311.3845   4.5059     0.0     0.0 
1 1 1    2    2   14 o    165.0    1.4   272.2539   4.5059   272.2539   4.5059     0.0     0.0 
1 1 1    2    2   16 o     54.2    1.5    29.4072   1.6601    29.4072   1.6601     0.0     0.0 
1 1 1    2    2   18 o     32.6    3.0    10.9091   1.8972    10.9091   1.8972     0.0     0.0 
1 1 1    2    2   20 o    479.5    3.1  2300.4031  29.4072  2300.4031  29.4072     0.0     0.0 
1 1 1    2    2   22 o    302.8    2.2   917.0782  13.5178   917.0782  13.5178     0.0     0.0 
1 1 1    2    2   24 o    254.4    1.9   647.4330   9.7234   647.4330   9.7234     0.0     0.0 
1 1 1    2    2   26 o    338.7    2.3  1147.3557  15.8894  1147.3557  15.8894     0.0     0.0 
1 1 1    2    2   28 o    611.4    3.8  3739.4595  46.4824  3739.4595  46.4824     0.0     0.0 
1 1 1    2    2   30 o    267.8    2.0   717.3937  10.6720   717.3937  10.6720     0.0     0.0 
1 1 1    2    2   32 o    144.6    1.8   209.1707   5.2174   209.1707   5.2174     0.0     0.0 
1 1 1    2    2   34 f    218.6    1.9   477.8672   8.3004   477.8672   8.3004     0.0     0.0 
1 1 1    2    2   36 o     94.5    2.8    89.6446   5.2174    89.6446   5.2174     0.0     0.0 
1 1 1    2    2   38 o    109.8    2.5   120.7119   5.4546   120.7119   5.4546     0.0     0.0 
1 1 1    2    2   40 o     77.4    3.2    60.2374   4.9803    60.2374   4.9803     0.0     0.0 
1 1 1    2    2   42 o     83.9    3.4    70.9093   5.6917    70.9093   5.6917     0.0     0.0 
1 1 1    2    2   44 o     86.8    3.8    75.8896   6.6403    75.8896   6.6403     0.0     0.0 
1 1 1    2    2   46 o     80.1    4.0    64.7433   6.4032    64.7433   6.4032     0.0     0.0 
1 1 1    2    2   48 o     11.7    8.3    -8.3004   7.5890    -8.3004   7.5890     0.0     0.0 
1 1 1    2    2   50 o     78.4    4.4    62.3718   6.8775    62.3718   6.8775     0.0     0.0 
1 1 1    2    2   52 o     69.2    5.6    49.0911   7.5890    49.0911   7.5890     0.0     0.0 
1 1 1    2    2   54 o     53.4    6.8    30.3558   7.1146    30.3558   7.1146     0.0     0.0 
1 1 1    2    2   56 o    103.3    3.9   107.6684   8.0633   107.6684   8.0633     0.0     0.0 
1 1 1    3    0    3 o    521.8    5.9  2725.6221  61.1860  2725.6221  61.1860     0.0     0.0 
1 1 1    3    0    5 o    675.6    6.1  4568.5532  81.8185  4568.5532  81.8185     0.0     0.0 
1 1 1    3    0    7 o    315.3    2.4   994.3907  14.9408   994.3907  14.9408     0.0     0.0 
1 1 1    3    0    9 o    116.7    1.0   136.1270   2.3715   136.1270   2.3715     0.0     0.0 
1 1 1    3    0   11 o    357.7    2.1  1279.4510  15.1779  1279.4510  15.1779     0.0     0.0 
1 1 1    3    0   13 o    465.8    2.7  2170.6794  25.1384  2170.6794  25.1384     0.0     0.0 
1 1 1    3    0   15 o    198.1    1.4   392.4915   5.6917   392.4915   5.6917     0.0     0.0 
1 1 1    3    0   17 o     72.0    1.3    51.9369   1.8972    51.9369   1.8972     0.0     0.0 
1 1 1    3    0   19 o     26.2    3.7     7.1146   1.8972     7.1146   1.8972     0.0     0.0 
1 1 1    3    0   21 o     78.8    1.8    62.1346   2.8459    62.1346   2.8459     0.0     0.0 
1 1 1    3    0   23 o    193.4    1.7   373.9934   6.4032   373.9934   6.4032     0.0     0.0 
1 1 1    3    0   25 o    156.1    1.7   243.7953   5.4546   243.7953   5.4546     0.0     0.0 
1 1 1    3    0   27 o     93.7    2.2    87.9845   4.0316    87.9845   4.0316     0.0     0.0 
1 1 1    3    0   29 o    145.0    1.9   210.3564   5.4546   210.3564   5.4546     0.0     0.0 
1 1 1    3    0   31 o     17.6    9.2     4.5059   4.2688     4.5059   4.2688     0.0     0.0 
1 1 1    3    0   33 o     73.3    3.2    54.0713   4.7431    54.0713   4.7431     0.0     0.0 
1 1 1    3    0   35 o     19.1   11.0     4.7431   6.6403     4.7431   6.6403     0.0     0.0 
1 1 1    3    0   37 o    565.2    3.3  3196.1372  37.7076  3196.1372  37.7076     0.0     0.0 
1 1 1    3    0   39 o    119.7    2.5   143.4787   5.9289   143.4787   5.9289     0.0     0.0 
1 1 1    3    0   41 o     85.0    3.1    72.5694   5.2174    72.5694   5.2174     0.0     0.0 
1 1 1    3    0   43 o    347.8    2.4  1210.6760  16.3637  1210.6760  16.3637     0.0     0.0 
1 1 1    3    0   45 o    255.1    2.3   651.4647  11.8577   651.4647  11.8577     0.0     0.0 
1 1 1    3    0   47 o     87.8    3.9    77.7868   6.8775    77.7868   6.8775     0.0     0.0 
1 1 1    3    0   49 o     53.6    6.3    30.1187   6.6403    30.1187   6.6403     0.0     0.0 
1 1 1    3    0   51 o    301.0    2.5   907.1177  14.9408   907.1177  14.9408     0.0     0.0 
1 1 1    3    0   53 o     46.9    7.9    23.9527   6.8775    23.9527   6.8775     0.0     0.0 
1 1 1    3    0   55 o    100.4    4.0   101.9766   8.0633   101.9766   8.0633     0.0     0.0 
1 1 1    3    1    0 f    604.0    9.2  3657.1665 110.9885  3657.1665 110.9885     0.0     0.0 
1 1 1    3    1    2 o    199.6    2.4   398.4203   9.4862   398.4203   9.4862       ?       ? 
1 1 1    3    1    4 o    297.7    2.2   886.2481  13.0435   886.2481  13.0435       ?       ? 
1 1 1    3    1    6 o    317.9    2.0  1010.5173  12.5692  1010.5173  12.5692       ?       ? 
1 1 1    3    1    8 o    135.7    0.9   184.0322   2.3715   184.0322   2.3715       ?       ? 
1 1 1    3    1   10 o    386.5    1.7  1493.8391  12.8064  1493.8391  12.8064       ?       ? 
1 1 1    3    1   12 o    114.2    0.8   130.4352   1.8972   130.4352   1.8972       ?       ? 
1 1 1    3    1   14 o     56.6    0.8    32.0159   0.9486    32.0159   0.9486       ?       ? 
1 1 1    3    1   16 o    143.3    0.9   205.3762   2.6087   205.3762   2.6087       ?       ? 
1 1 1    3    1   18 o    135.6    0.9   183.7951   2.3715   183.7951   2.3715       ?       ? 
1 1 1    3    1   20 o    238.1    1.2   567.0375   5.6917   567.0375   5.6917       ?       ? 
1 1 1    3    1   22 o    161.4    1.0   260.3961   3.3202   260.3961   3.3202       ?       ? 
1 1 1    3    1   24 o    285.6    1.4   815.8130   7.8261   815.8130   7.8261       ?       ? 
1 1 1    3    1   26 o    152.1    1.2   231.4632   3.5573   231.4632   3.5573       ?       ? 
1 1 1    3    1   28 f     46.7    2.5    21.8183   2.3715    21.8183   2.3715       ?       ? 
1 1 1    3    1   30 o    332.1    1.6  1102.7705  10.9091  1102.7705  10.9091       ?       ? 
1 1 1    3    1   32 o    295.2    1.5   871.5445   9.0119   871.5445   9.0119       ?       ? 
1 1 1    3    1   34 o    181.2    1.4   328.2224   4.9803   328.2224   4.9803       ?       ? 
1 1 1    3    1   36 o    362.9    1.7  1316.9215  12.5692  1316.9215  12.5692       ?       ? 
1 1 1    3    1   38 o    151.0    1.5   228.1431   4.5059   228.1431   4.5059       ?       ? 
1 1 1    3    1   40 o    107.4    1.9   115.4945   4.0316   115.4945   4.0316       ?       ? 
1 1 1    3    1   42 o     16.7    6.9     0.7115   3.7945     0.7115   3.7945       ?       ? 
1 1 1    3    1   44 o    139.2    1.8   193.7556   4.9803   193.7556   4.9803       ?       ? 
1 1 1    3    1   46 f     15.1    6.9    -2.6087   4.5059    -2.6087   4.5059       ?       ? 
1 1 1    3    1   48 o    210.1    1.7   442.0568   7.1146   442.0568   7.1146       ?       ? 
1 1 1    3    1   50 o     34.5    7.1    12.5692   4.7431    12.5692   4.7431       ?       ? 
1 1 1    3    1   52 o     34.5    6.8    12.5692   4.5059    12.5692   4.5059       ?       ? 
1 1 1    3    1   54 o     84.2    3.7    71.6208   6.1660    71.6208   6.1660       ?       ? 
1 1 1    3    1   56 o     35.3    7.0    13.2807   4.7431    13.2807   4.7431       ?       ? 
1 1 1    3    2    1 o    611.3    6.7  3744.4397  81.5813  3744.4397  81.5813       ?       ? 
1 1 1    3    2    3 o    335.6    3.1  1126.4861  21.1068  1126.4861  21.1068       ?       ? 
1 1 1    3    2    5 o    227.7    1.7   518.4208   7.5890   518.4208   7.5890       ?       ? 
1 1 1    3    2    7 o    426.2    2.4  1816.8441  20.8696  1816.8441  20.8696       ?       ? 
1 1 1    3    2    9 o    195.8    1.2   383.4796   4.7431   383.4796   4.7431       ?       ? 
1 1 1    3    2   11 o    185.7    1.1   344.8233   4.0316   344.8233   4.0316       ?       ? 
1 1 1    3    2   13 o    203.8    1.0   415.2584   4.2688   415.2584   4.2688       ?       ? 
1 1 1    3    2   15 o    198.6    1.1   394.6259   4.2688   394.6259   4.2688       ?       ? 
1 1 1    3    2   17 o    172.0    1.0   295.9694   3.5573   295.9694   3.5573       ?       ? 
1 1 1    3    2   19 o    191.7    1.1   367.5902   4.2688   367.5902   4.2688       ?       ? 
1 1 1    3    2   21 o    142.1    1.0   201.8189   2.8459   201.8189   2.8459       ?       ? 
1 1 1    3    2   23 o     99.1    1.1    98.1822   2.1344    98.1822   2.1344       ?       ? 
1 1 1    3    2   25 o    296.4    1.4   878.4219   8.5376   878.4219   8.5376       ?       ? 
1 1 1    3    2   27 o    185.4    1.2   343.8747   4.2688   343.8747   4.2688       ?       ? 
1 1 1    3    2   29 o    304.1    1.5   924.9044   9.2490   924.9044   9.2490       ?       ? 
1 1 1    3    2   31 o    276.2    1.4   763.1646   7.8261   763.1646   7.8261       ?       ? 
1 1 1    3    2   33 o    293.3    1.5   860.1611   9.0119   860.1611   9.0119       ?       ? 
1 1 1    3    2   35 o    189.6    1.4   359.5269   5.4546   359.5269   5.4546       ?       ? 
1 1 1    3    2   37 o    223.9    1.5   501.3456   6.6403   501.3456   6.6403       ?       ? 
1 1 1    3    2   39 o     55.1    3.2    30.3558   3.5573    30.3558   3.5573       ?       ? 
1 1 1    3    2   41 o    107.2    2.0   115.0202   4.2688   115.0202   4.2688       ?       ? 
1 1 1    3    2   43 o    189.1    1.6   357.8668   5.9289   357.8668   5.9289       ?       ? 
1 1 1    3    2   45 o    171.3    2.2   293.8350   7.5890   293.8350   7.5890       ?       ? 
1 1 1    3    2   47 o    192.2    1.7   369.7246   6.4032   369.7246   6.4032       ?       ? 
1 1 1    3    2   49 o    214.8    1.7   461.9779   7.1146   461.9779   7.1146       ?       ? 
1 1 1    3    2   51 o    155.6    1.9   242.3724   5.9289   242.3724   5.9289       ?       ? 
1 1 1    3    2   53 o     14.7    6.9    -6.1660   5.4546    -6.1660   5.4546       ?       ? 
1 1 1    3    2   55 o     16.3    7.4    -3.3202   5.4546    -3.3202   5.4546       ?       ? 
1 1 1    3    3    2 o    221.4    4.0   490.9108  17.5495   490.9108  17.5495     0.0     0.0 
1 1 1    3    3    4 o    189.9    2.6   360.9498   9.9605   360.9498   9.9605     0.0     0.0 
1 1 1    3    3    6 o     87.2    1.6    76.1267   2.8459    76.1267   2.8459     0.0     0.0 
1 1 1    3    3    8 o    217.5    2.1   473.1241   9.0119   473.1241   9.0119     0.0     0.0 
1 1 1    3    3   10 o     47.4    1.5    22.5297   1.4229    22.5297   1.4229     0.0     0.0 
1 1 1    3    3   12 o     61.9    1.3    38.4191   1.6601    38.4191   1.6601     0.0     0.0 
1 1 1    3    3   14 o    112.9    1.3   127.5894   2.8459   127.5894   2.8459     0.0     0.0 
1 1 1    3    3   16 f     41.7    2.0    17.5495   1.6601    17.5495   1.6601     0.0     0.0 
1 1 1    3    3   18 o     14.7    6.3     3.0830   1.8972     3.0830   1.8972     0.0     0.0 
1 1 1    3    3   20 o    380.1    2.4  1445.4595  18.0238  1445.4595  18.0238     0.0     0.0 
1 1 1    3    3   22 o    139.4    1.4   194.4671   4.0316   194.4671   4.0316     0.0     0.0 
1 1 1    3    3   24 o     79.2    2.1    62.8461   3.3202    62.8461   3.3202     0.0     0.0 
1 1 1    3    3   26 o    509.4    3.3  2595.6611  33.2017  2595.6611  33.2017     0.0     0.0 
1 1 1    3    3   28 o    258.0    2.0   665.9311  10.4348   665.9311  10.4348     0.0     0.0 
1 1 1    3    3   30 f    430.9    2.9  1857.3977  25.1384  1857.3977  25.1384     0.0     0.0 
1 1 1    3    3   32 o    344.1    2.7  1184.5890  18.2609  1184.5890  18.2609     0.0     0.0 
1 1 1    3    3   34 o    336.6    2.5  1133.3635  16.8380  1133.3635  16.8380     0.0     0.0 
1 1 1    3    3   36 o     85.6    3.1    73.5180   5.2174    73.5180   5.2174     0.0     0.0 
1 1 1    3    3   38 o    380.1    2.7  1445.4595  20.6325  1445.4595  20.6325     0.0     0.0 
1 1 1    3    3   40 o    118.8    2.4   141.3443   5.6917   141.3443   5.6917     0.0     0.0 
1 1 1    3    3   42 o     22.9   10.9     7.8261   5.6917     7.8261   5.6917     0.0     0.0 
1 1 1    3    3   44 o    242.7    2.2   589.5673  10.9091   589.5673  10.9091     0.0     0.0 
1 1 1    3    3   46 o    147.4    2.4   217.7083   7.1146   217.7083   7.1146     0.0     0.0 
1 1 1    3    3   48 o     45.8    7.1    22.2926   6.1660    22.2926   6.1660     0.0     0.0 
1 1 1    3    3   50 o     11.8    8.1    -2.8459   5.6917    -2.8459   5.6917     0.0     0.0 
1 1 1    3    3   52 o    178.6    2.5   319.9220   8.7747   319.9220   8.7747     0.0     0.0 
1 1 1    3    3   54 o     57.2    6.8    34.6246   7.5890    34.6246   7.5890     0.0     0.0 
1 1 1    4    0    2 o     44.2    2.4    19.6839   2.1344    19.6839   2.1344     0.0     0.0 
1 1 1    4    0    4 f    632.1    7.0  4002.2271  88.6960  4002.2271  88.6960     0.0     0.0 
1 1 1    4    0    6 o    287.1    2.9   824.8250  16.6008   824.8250  16.6008     0.0     0.0 
1 1 1    4    0    8 o     72.8    1.3    53.1227   1.8972    53.1227   1.8972     0.0     0.0 
1 1 1    4    0   10 o    206.0    1.6   424.2702   6.6403   424.2702   6.6403     0.0     0.0 
1 1 1    4    0   12 o     95.5    1.1    91.3047   2.1344    91.3047   2.1344     0.0     0.0 
1 1 1    4    0   14 o    302.3    1.9   914.2324  11.6206   914.2324  11.6206     0.0     0.0 
1 1 1    4    0   16 o    101.1    1.2   102.2138   2.3715   102.2138   2.3715     0.0     0.0 
1 1 1    4    0   18 o      4.5    3.4    -6.1660   2.1344    -6.1660   2.1344     0.0     0.0 
1 1 1    4    0   20 o     83.9    1.6    70.4350   2.6087    70.4350   2.6087     0.0     0.0 
1 1 1    4    0   22 o    218.4    1.6   477.1558   7.1146   477.1558   7.1146     0.0     0.0 
1 1 1    4    0   24 o    181.1    1.8   328.2224   6.4032   328.2224   6.4032     0.0     0.0 
1 1 1    4    0   26 o    243.6    1.9   593.5989   9.4862   593.5989   9.4862     0.0     0.0 
1 1 1    4    0   28 f    243.8    2.2   594.7847  10.6720   594.7847  10.6720     0.0     0.0 
1 1 1    4    0   30 o    166.5    1.9   277.4713   6.4032   277.4713   6.4032     0.0     0.0 
1 1 1    4    0   32 o     76.2    3.1    58.3401   4.7431    58.3401   4.7431     0.0     0.0 
1 1 1    4    0   34 o    464.6    3.0  2159.7703  28.2214  2159.7703  28.2214     0.0     0.0 
1 1 1    4    0   36 o    413.3    2.8  1708.7015  23.0040  1708.7015  23.0040     0.0     0.0 
1 1 1    4    0   38 o    101.5    2.6   103.1624   5.2174   103.1624   5.2174     0.0     0.0 
1 1 1    4    0   40 o     45.6    5.6    21.8183   4.9803    21.8183   4.9803     0.0     0.0 
1 1 1    4    0   42 o    125.5    2.5   157.7081   6.1660   157.7081   6.1660     0.0     0.0 
1 1 1    4    0   44 o    109.9    2.9   121.1862   6.4032   121.1862   6.4032     0.0     0.0 
1 1 1    4    0   46 o     10.2    7.4   -12.3321   7.3518   -12.3321   7.3518     0.0     0.0 
1 1 1    4    0   48 o    274.1    2.1   752.0184  11.6206   752.0184  11.6206     0.0     0.0 
1 1 1    4    0   50 o    102.3    3.7   105.2968   7.5890   105.2968   7.5890     0.0     0.0 
1 1 1    4    0   52 o     17.9   10.7     3.7945   6.6403     3.7945   6.6403     0.0     0.0 
1 1 1    4    0   54 o     15.3    9.9     0.2372   7.1146     0.2372   7.1146     0.0     0.0 
1 1 1    4    0   56 o    147.3    3.1   217.9454   9.0119   217.9454   9.0119     0.0     0.0 
1 1 1    4    1    1 o    485.6    5.3  2361.1147  51.6998  2361.1147  51.6998       ?       ? 
1 1 1    4    1    3 o    354.5    3.9  1257.3956  27.9843  1257.3956  27.9843       ?       ? 
1 1 1    4    1    5 o    282.8    2.4   800.1608  13.7550   800.1608  13.7550       ?       ? 
1 1 1    4    1    7 o    247.4    1.8   612.3341   9.0119   612.3341   9.0119       ?       ? 
1 1 1    4    1    9 o    114.9    0.9   132.0953   2.1344   132.0953   2.1344       ?       ? 
1 1 1    4    1   11 o     96.9    0.9    93.9134   1.6601    93.9134   1.6601       ?       ? 
1 1 1    4    1   13 o    150.7    0.9   227.1945   2.6087   227.1945   2.6087       ?       ? 
1 1 1    4    1   15 o     97.0    0.9    94.1505   1.6601    94.1505   1.6601       ?       ? 
1 1 1    4    1   17 o    107.1    1.0   114.7830   2.1344   114.7830   2.1344       ?       ? 
1 1 1    4    1   19 o     92.1    1.0    84.9015   1.8972    84.9015   1.8972       ?       ? 
1 1 1    4    1   21 o    168.5    1.1   284.1117   3.5573   284.1117   3.5573       ?       ? 
1 1 1    4    1   23 o    200.0    1.2   400.0804   4.7431   400.0804   4.7431       ?       ? 
1 1 1    4    1   25 o    201.6    1.2   406.4836   4.9803   406.4836   4.9803       ?       ? 
1 1 1    4    1   27 o    248.7    1.4   618.7373   7.1146   618.7373   7.1146       ?       ? 
1 1 1    4    1   29 o    157.3    1.4   247.3526   4.5059   247.3526   4.5059       ?       ? 
1 1 1    4    1   31 o    282.3    1.5   796.8406   8.5376   796.8406   8.5376       ?       ? 
1 1 1    4    1   33 o     79.6    1.9    63.3204   3.0830    63.3204   3.0830       ?       ? 
1 1 1    4    1   35 o     62.9    2.5    39.6049   3.0830    39.6049   3.0830       ?       ? 
1 1 1    4    1   37 o    127.1    1.6   161.5025   4.0316   161.5025   4.0316       ?       ? 
1 1 1    4    1   39 o     64.2    2.8    41.2650   3.5573    41.2650   3.5573       ?       ? 
1 1 1    4    1   41 o    101.8    1.9   103.6367   3.7945   103.6367   3.7945       ?       ? 
1 1 1    4    1   43 o    121.2    1.9   147.0361   4.5059   147.0361   4.5059       ?       ? 
1 1 1    4    1   45 o    110.2    2.2   121.6605   4.7431   121.6605   4.7431       ?       ? 
1 1 1    4    1   47 o     44.7    5.0    20.1582   4.5059    20.1582   4.5059       ?       ? 
1 1 1    4    1   49 o    133.7    2.0   179.0520   5.2174   179.0520   5.2174       ?       ? 
1 1 1    4    1   51 o    111.9    2.4   125.4550   5.4546   125.4550   5.4546       ?       ? 
1 1 1    4    1   53 o     99.4    2.9    99.3679   5.6917    99.3679   5.6917       ?       ? 
1 1 1    4    1   55 o    119.0    2.4   142.0558   5.6917   142.0558   5.6917       ?       ? 
1 1 1    4    2    0 o      7.3    4.2     0.7115   0.9486     0.7115   0.9486     0.0     0.0 
1 1 1    4    2    2 o    128.3    1.8   164.5855   4.7431   164.5855   4.7431       ?       ? 
1 1 1    4    2    4 o    166.6    2.3   277.7085   7.5890   277.7085   7.5890       ?       ? 
1 1 1    4    2    6 o     43.6    1.1    18.9724   0.9486    18.9724   0.9486       ?       ? 
1 1 1    4    2    8 o    188.3    1.3   354.5467   4.9803   354.5467   4.9803       ?       ? 
1 1 1    4    2   10 o    290.4    1.6   843.5602   9.4862   843.5602   9.4862       ?       ? 
1 1 1    4    2   12 o    133.3    0.9   177.6291   2.3715   177.6291   2.3715       ?       ? 
1 1 1    4    2   14 o    178.9    1.0   319.9220   3.5573   319.9220   3.5573       ?       ? 
1 1 1    4    2   16 o     13.7    4.1     1.8972   1.1858     1.8972   1.1858       ?       ? 
1 1 1    4    2   18 o    153.9    1.0   236.9178   3.0830   236.9178   3.0830       ?       ? 
1 1 1    4    2   20 f    195.0    1.1   380.3965   4.2688   380.3965   4.2688       ?       ? 
1 1 1    4    2   22 o    112.4    1.2   126.4036   2.6087   126.4036   2.6087       ?       ? 
1 1 1    4    2   24 o    231.0    1.3   533.8358   5.9289   533.8358   5.9289       ?       ? 
1 1 1    4    2   26 o    217.0    1.3   470.9898   5.4546   470.9898   5.4546       ?       ? 
1 1 1    4    2   28 o     63.1    2.3    39.8420   2.8459    39.8420   2.8459       ?       ? 
1 1 1    4    2   30 o    258.0    1.5   665.9311   7.5890   665.9311   7.5890       ?       ? 
1 1 1    4    2   32 o    263.4    1.5   693.6783   7.8261   693.6783   7.8261       ?       ? 
1 1 1    4    2   34 o    254.0    1.6   645.0615   8.0633   645.0615   8.0633       ?       ? 
1 1 1    4    2   36 o    106.5    1.7   113.3601   3.5573   113.3601   3.5573       ?       ? 
1 1 1    4    2   38 o    247.4    1.5   612.0970   7.5890   612.0970   7.5890       ?       ? 
1 1 1    4    2   40 o    163.8    1.4   268.4594   4.7431   268.4594   4.7431       ?       ? 
1 1 1    4    2   42 o     98.4    2.0    96.9964   4.0316    96.9964   4.0316       ?       ? 
1 1 1    4    2   44 o    207.0    1.9   428.7762   7.8261   428.7762   7.8261       ?       ? 
1 1 1    4    2   46 o     48.1    4.2    23.2412   4.0316    23.2412   4.0316       ?       ? 
1 1 1    4    2   48 o    161.3    1.8   260.6333   5.6917   260.6333   5.6917       ?       ? 
1 1 1    4    2   50 o     22.2    7.8     4.5059   4.2688     4.5059   4.2688       ?       ? 
1 1 1    4    2   52 o     94.3    2.9    89.4074   5.4546    89.4074   5.4546       ?       ? 
1 1 1    4    2   54 o    105.1    3.0   111.2257   6.4032   111.2257   6.4032       ?       ? 
1 1 1    4    3    1 o    232.9    4.2   542.8477  19.6839   542.8477  19.6839       ?       ? 
1 1 1    4    3    3 o     98.4    2.0    96.7592   4.0316    96.7592   4.0316       ?       ? 
1 1 1    4    3    5 o    166.8    1.8   278.4199   5.9289   278.4199   5.9289       ?       ? 
1 1 1    4    3    7 o    325.9    2.5  1062.6914  16.6008  1062.6914  16.6008       ?       ? 
1 1 1    4    3    9 o    271.5    1.7   737.0776   9.4862   737.0776   9.4862       ?       ? 
1 1 1    4    3   11 o    144.9    1.1   209.8821   3.0830   209.8821   3.0830       ?       ? 
1 1 1    4    3   13 o     51.5    1.2    26.5614   1.1858    26.5614   1.1858       ?       ? 
1 1 1    4    3   15 o    363.1    1.7  1318.5815  12.3321  1318.5815  12.3321       ?       ? 
1 1 1    4    3   17 o    254.9    1.3   650.0417   6.6403   650.0417   6.6403       ?       ? 
1 1 1    4    3   19 o    324.8    1.5  1054.8652   9.9605  1054.8652   9.9605       ?       ? 
1 1 1    4    3   21 o    249.3    1.3   621.3460   6.6403   621.3460   6.6403       ?       ? 
1 1 1    4    3   23 o    338.7    1.6  1147.5929  10.9091  1147.5929  10.9091       ?       ? 
1 1 1    4    3   25 o    619.3    2.6  3836.9302  32.4902  3836.9302  32.4902       ?       ? 
1 1 1    4    3   27 o    208.1    1.3   433.2821   5.4546   433.2821   5.4546       ?       ? 
1 1 1    4    3   29 o    214.8    1.3   461.5036   5.6917   461.5036   5.6917       ?       ? 
1 1 1    4    3   31 o    210.8    1.3   444.4284   5.4546   444.4284   5.4546       ?       ? 
1 1 1    4    3   33 o    293.9    1.6   863.9555   9.2490   863.9555   9.2490       ?       ? 
1 1 1    4    3   35 o     24.3    5.9     6.1660   2.8459     6.1660   2.8459       ?       ? 
1 1 1    4    3   37 o     91.1    2.0    83.0042   3.5573    83.0042   3.5573       ?       ? 
1 1 1    4    3   39 o    330.5    1.6  1093.0472  10.6720  1093.0472  10.6720       ?       ? 
1 1 1    4    3   41 o     44.0    4.0    19.4467   3.5573    19.4467   3.5573       ?       ? 
1 1 1    4    3   43 o     80.4    2.7    64.7433   4.2688    64.7433   4.2688       ?       ? 
1 1 1    4    3   45 o     24.8    8.0     6.1660   4.5059     6.1660   4.5059       ?       ? 
1 1 1    4    3   47 o     79.9    3.0    64.0318   4.7431    64.0318   4.7431       ?       ? 
1 1 1    4    3   49 o     53.2    4.2    28.4586   4.5059    28.4586   4.5059       ?       ? 
1 1 1    4    3   51 o    109.6    2.4   120.4747   5.2174   120.4747   5.2174       ?       ? 
1 1 1    4    3   53 o     64.9    4.0    42.6879   5.2174    42.6879   5.2174       ?       ? 
1 1 1    4    3   55 o     53.7    4.6    29.1701   4.9803    29.1701   4.9803       ?       ? 
1 1 1    4    4    2 o    371.8    6.2  1386.1708  46.0081  1386.1708  46.0081     0.0     0.0 
1 1 1    4    4    4 o     47.4    3.0    22.7669   2.8459    22.7669   2.8459     0.0     0.0 
1 1 1    4    4    6 o    164.6    2.6   271.3053   8.5376   271.3053   8.5376     0.0     0.0 
1 1 1    4    4    8 o    198.3    2.5   393.4401   9.7234   393.4401   9.7234     0.0     0.0 
1 1 1    4    4   10 o    244.7    2.7   599.2906  13.0435   599.2906  13.0435     0.0     0.0 
1 1 1    4    4   12 o     63.2    1.7    40.0792   2.1344    40.0792   2.1344     0.0     0.0 
1 1 1    4    4   14 o    289.6    2.2   839.0542  12.5692   839.0542  12.5692     0.0     0.0 
1 1 1    4    4   16 f     12.7    6.3     2.3715   1.8972     2.3715   1.8972     0.0     0.0 
1 1 1    4    4   18 o    232.7    1.8   541.4248   8.3004   541.4248   8.3004     0.0     0.0 
1 1 1    4    4   20 o    201.4    1.6   405.7722   6.4032   405.7722   6.4032     0.0     0.0 
1 1 1    4    4   22 o    245.2    1.8   601.1878   8.7747   601.1878   8.7747     0.0     0.0 
1 1 1    4    4   24 o    406.7    2.6  1654.1559  20.8696  1654.1559  20.8696     0.0     0.0 
1 1 1    4    4   26 o     79.8    3.0    64.0318   4.7431    64.0318   4.7431     0.0     0.0 
1 1 1    4    4   28 o    160.0    1.7   256.1273   5.4546   256.1273   5.4546     0.0     0.0 
1 1 1    4    4   30 o    133.8    2.0   179.0520   5.2174   179.0520   5.2174     0.0     0.0 
1 1 1    4    4   32 o    109.0    2.2   119.0518   4.7431   119.0518   4.7431     0.0     0.0 
1 1 1    4    4   34 o    330.1    2.4  1090.2014  15.8894  1090.2014  15.8894     0.0     0.0 
1 1 1    4    4   36 o     42.2    5.5    18.7352   4.5059    18.7352   4.5059     0.0     0.0 
1 1 1    4    4   38 o    106.6    2.7   113.8344   5.6917   113.8344   5.6917     0.0     0.0 
1 1 1    4    4   40 o     87.1    3.3    76.3639   5.6917    76.3639   5.6917     0.0     0.0 
1 1 1    4    4   42 f     20.1   10.7     5.9289   5.6917     5.9289   5.6917     0.0     0.0 
1 1 1    4    4   44 o     12.4    8.5    -4.0316   6.6403    -4.0316   6.6403     0.0     0.0 
1 1 1    4    4   46 o    103.4    3.4   107.4312   7.1146   107.4312   7.1146     0.0     0.0 
1 1 1    4    4   48 o     23.4   12.3     8.3004   7.5890     8.3004   7.5890     0.0     0.0 
1 1 1    4    4   50 o    116.5    3.4   136.3641   7.8261   136.3641   7.8261     0.0     0.0 
1 1 1    4    4   52 o     27.0   12.5    11.1463   7.3518    11.1463   7.3518     0.0     0.0 
1 1 1    4    4   54 o    126.9    2.9   161.7397   7.3518   161.7397   7.3518     0.0     0.0 
1 1 1    5    0    3 o    303.0    5.2   919.9241  31.5416   919.9241  31.5416     0.0     0.0 
1 1 1    5    0    5 o    270.0    3.4   729.7258  18.4981   729.7258  18.4981     0.0     0.0 
1 1 1    5    0    7 o     87.6    1.5    76.8382   2.6087    76.8382   2.6087     0.0     0.0 
1 1 1    5    0    9 o     32.3    3.0    10.6720   1.8972    10.6720   1.8972     0.0     0.0 
1 1 1    5    0   11 o    249.5    2.1   622.5318  10.4348   622.5318  10.4348     0.0     0.0 
1 1 1    5    0   13 o     68.0    1.4    46.2452   1.8972    46.2452   1.8972     0.0     0.0 
1 1 1    5    0   15 o    261.2    1.9   682.5319   9.7234   682.5319   9.7234     0.0     0.0 
1 1 1    5    0   17 o    243.7    1.7   594.0732   8.3004   594.0732   8.3004     0.0     0.0 
1 1 1    5    0   19 o    368.8    2.3  1360.7952  16.8380  1360.7952  16.8380     0.0     0.0 
1 1 1    5    0   21 o    322.5    2.1  1040.6360  13.5178  1040.6360  13.5178     0.0     0.0 
1 1 1    5    0   23 o     61.6    2.5    38.1819   3.0830    38.1819   3.0830     0.0     0.0 
1 1 1    5    0   25 o    237.5    1.8   564.1917   8.7747   564.1917   8.7747     0.0     0.0 
1 1 1    5    0   27 o    543.0    3.2  2949.2590  35.0989  2949.2590  35.0989     0.0     0.0 
1 1 1    5    0   29 o    201.1    1.8   404.5864   7.1146   404.5864   7.1146     0.0     0.0 
1 1 1    5    0   31 o     39.7    5.2    16.6008   4.0316    16.6008   4.0316     0.0     0.0 
1 1 1    5    0   33 o     60.9    3.3    37.4705   4.0316    37.4705   4.0316     0.0     0.0 
1 1 1    5    0   35 o    101.3    2.8   102.9253   5.6917   102.9253   5.6917     0.0     0.0 
1 1 1    5    0   37 o    285.0    2.4   812.7301  13.5178   812.7301  13.5178     0.0     0.0 
1 1 1    5    0   39 o     56.0    4.5    32.0159   4.9803    32.0159   4.9803     0.0     0.0 
1 1 1    5    0   41 o    111.0    2.9   123.5577   6.4032   123.5577   6.4032     0.0     0.0 
1 1 1    5    0   43 o    153.6    2.7   236.2063   8.3004   236.2063   8.3004     0.0     0.0 
1 1 1    5    0   45 o     62.9    5.4    40.5535   6.6403    40.5535   6.6403     0.0     0.0 
1 1 1    5    0   47 o     59.2    5.9    36.2847   6.8775    36.2847   6.8775     0.0     0.0 
1 1 1    5    0   49 o     61.2    5.1    38.4191   6.1660    38.4191   6.1660     0.0     0.0 
1 1 1    5    0   51 o     43.3    7.4    20.3953   5.9289    20.3953   5.9289     0.0     0.0 
1 1 1    5    0   53 o     85.4    4.2    73.9923   7.1146    73.9923   7.1146     0.0     0.0 
1 1 1    5    0   55 o     13.2    9.0    -3.3202   7.1146    -3.3202   7.1146     0.0     0.0 
1 1 1    5    1    0 o    227.6    4.0   518.6579  18.0238   518.6579  18.0238     0.0     0.0 
1 1 1    5    1    2 o     59.8    1.6    35.8104   1.8972    35.8104   1.8972       ?       ? 
1 1 1    5    1    4 o    143.0    2.2   204.4276   6.1660   204.4276   6.1660       ?       ? 
1 1 1    5    1    6 f    276.5    2.4   764.8248  13.0435   764.8248  13.0435       ?       ? 
1 1 1    5    1    8 o     50.1    1.2    25.1384   1.1858    25.1384   1.1858       ?       ? 
1 1 1    5    1   10 o    226.6    1.5   513.6777   6.8775   513.6777   6.8775       ?       ? 
1 1 1    5    1   12 o    102.4    0.9   104.8225   1.8972   104.8225   1.8972       ?       ? 
1 1 1    5    1   14 o     68.5    1.0    46.9567   1.4229    46.9567   1.4229       ?       ? 
1 1 1    5    1   16 o    178.9    1.1   319.9220   3.7945   319.9220   3.7945       ?       ? 
1 1 1    5    1   18 o    349.0    1.6  1218.5022  11.1463  1218.5022  11.1463       ?       ? 
1 1 1    5    1   20 o    131.6    1.1   173.1231   2.8459   173.1231   2.8459       ?       ? 
1 1 1    5    1   22 o    215.9    1.2   466.0095   5.2174   466.0095   5.2174       ?       ? 
1 1 1    5    1   24 o    226.7    1.3   514.1520   5.6917   514.1520   5.6917       ?       ? 
1 1 1    5    1   26 o    200.0    1.2   400.0804   4.9803   400.0804   4.9803       ?       ? 
1 1 1    5    1   28 o     94.9    1.5    90.1189   2.8459    90.1189   2.8459       ?       ? 
1 1 1    5    1   30 o     29.2    4.5     8.5376   2.6087     8.5376   2.6087       ?       ? 
1 1 1    5    1   32 o    121.8    1.7   148.4590   4.0316   148.4590   4.0316       ?       ? 
1 1 1    5    1   34 o    295.5    1.6   873.2046   9.7234   873.2046   9.7234       ?       ? 
1 1 1    5    1   36 o     35.1    4.4    12.3321   3.0830    12.3321   3.0830       ?       ? 
1 1 1    5    1   38 o    206.7    1.5   427.3532   6.1660   427.3532   6.1660       ?       ? 
1 1 1    5    1   40 o     74.3    2.4    55.2571   3.5573    55.2571   3.5573       ?       ? 
1 1 1    5    1   42 o    134.1    1.7   180.0006   4.5059   180.0006   4.5059       ?       ? 
1 1 1    5    1   44 o     41.5    4.9    17.3123   4.0316    17.3123   4.0316       ?       ? 
1 1 1    5    1   46 f     94.2    2.3    88.9331   4.2688    88.9331   4.2688       ?       ? 
1 1 1    5    1   48 o     31.0    7.0    10.1977   4.2688    10.1977   4.2688       ?       ? 
1 1 1    5    1   50 o     82.8    2.9    68.7749   4.7431    68.7749   4.7431       ?       ? 
1 1 1    5    1   52 o     15.9    7.2    -2.6087   4.9803    -2.6087   4.9803       ?       ? 
1 1 1    5    1   54 o     26.2    8.8     6.8775   5.4546     6.8775   5.4546       ?       ? 
1 1 1    5    2    1 o    329.6    3.7  1087.3555  24.6641  1087.3555  24.6641       ?       ? 
1 1 1    5    2    3 o    314.5    3.7   990.3591  23.0040   990.3591  23.0040       ?       ? 
1 1 1    5    2    5 o    195.0    2.6   380.3965   9.9605   380.3965   9.9605       ?       ? 
1 1 1    5    2    7 o    109.9    1.2   120.7119   2.6087   120.7119   2.6087       ?       ? 
1 1 1    5    2    9 o    260.4    1.9   678.2632   9.7234   678.2632   9.7234       ?       ? 
1 1 1    5    2   11 o    120.5    1.0   145.1388   2.3715   145.1388   2.3715       ?       ? 
1 1 1    5    2   13 o    125.3    1.0   156.9966   2.6087   156.9966   2.6087       ?       ? 
1 1 1    5    2   15 o    214.1    1.2   458.4205   5.2174   458.4205   5.2174       ?       ? 
1 1 1    5    2   17 o    180.4    1.1   325.3766   3.7945   325.3766   3.7945       ?       ? 
1 1 1    5    2   19 o    458.6    1.9  2104.0388  17.7866  2104.0388  17.7866       ?       ? 
1 1 1    5    2   21 o    142.6    1.0   203.4790   2.8459   203.4790   2.8459       ?       ? 
1 1 1    5    2   23 o    355.7    1.6  1265.6960  11.3834  1265.6960  11.3834       ?       ? 
1 1 1    5    2   25 f    200.5    1.2   401.9777   4.7431   401.9777   4.7431       ?       ? 
1 1 1    5    2   27 o    341.6    1.8  1166.8024  12.5692  1166.8024  12.5692       ?       ? 
1 1 1    5    2   29 o    203.9    1.3   415.9698   5.4546   415.9698   5.4546       ?       ? 
1 1 1    5    2   31 o     91.1    2.1    83.0042   3.7945    83.0042   3.7945       ?       ? 
1 1 1    5    2   33 o     98.4    1.7    96.7592   3.3202    96.7592   3.3202       ?       ? 
1 1 1    5    2   35 f     48.2    3.2    23.2412   3.0830    23.2412   3.0830       ?       ? 
1 1 1    5    2   37 o     85.3    2.1    72.8066   3.5573    72.8066   3.5573       ?       ? 
1 1 1    5    2   39 o    108.4    1.7   117.6289   3.7945   117.6289   3.7945       ?       ? 
1 1 1    5    2   41 o     88.0    2.2    77.5497   3.7945    77.5497   3.7945       ?       ? 
1 1 1    5    2   43 o     48.3    5.6    23.4783   5.4546    23.4783   5.4546       ?       ? 
1 1 1    5    2   45 o     83.8    2.5    70.4350   4.2688    70.4350   4.2688       ?       ? 
1 1 1    5    2   47 o     94.4    2.6    89.4074   4.9803    89.4074   4.9803       ?       ? 
1 1 1    5    2   49 o    147.8    1.9   218.8940   5.6917   218.8940   5.6917       ?       ? 
1 1 1    5    2   51 o     45.3    5.0    20.8696   4.5059    20.8696   4.5059       ?       ? 
1 1 1    5    2   53 o    135.0    2.1   182.8465   5.6917   182.8465   5.6917       ?       ? 
1 1 1    5    3    0 o    142.3    2.8   202.7675   7.8261   202.7675   7.8261     0.0     0.0 
1 1 1    5    3    2 o    301.9    2.9   912.3351  17.3123   912.3351  17.3123       ?       ? 
1 1 1    5    3    4 o    306.5    3.6   940.5566  22.0554   940.5566  22.0554       ?       ? 
1 1 1    5    3    6 o    329.2    2.7  1084.2725  18.0238  1084.2725  18.0238       ?       ? 
1 1 1    5    3    8 o     13.3    5.1     1.1858   1.8972     1.1858   1.8972       ?       ? 
1 1 1    5    3   10 o    356.2    2.2  1269.0161  15.4151  1269.0161  15.4151       ?       ? 
1 1 1    5    3   12 o    142.6    1.2   203.2418   3.5573   203.2418   3.5573       ?       ? 
1 1 1    5    3   14 o    188.2    1.2   354.3095   4.5059   354.3095   4.5059       ?       ? 
1 1 1    5    3   16 o    169.9    1.1   288.8547   3.7945   288.8547   3.7945       ?       ? 
1 1 1    5    3   18 o    342.7    1.7  1174.6285  11.8577  1174.6285  11.8577       ?       ? 
1 1 1    5    3   20 o    431.5    2.0  1862.3779  17.3123  1862.3779  17.3123       ?       ? 
1 1 1    5    3   22 o    162.8    1.1   265.1393   3.5573   265.1393   3.5573       ?       ? 
1 1 1    5    3   24 o    410.9    1.8  1688.3063  15.1779  1688.3063  15.1779       ?       ? 
1 1 1    5    3   26 o    216.1    2.0   466.9581   8.5376   466.9581   8.5376       ?       ? 
1 1 1    5    3   28 o    365.3    1.7  1334.4709  12.5692  1334.4709  12.5692       ?       ? 
1 1 1    5    3   30 o     99.9    1.7    99.8422   3.3202    99.8422   3.3202       ?       ? 
1 1 1    5    3   32 o    275.6    1.5   759.6073   8.5376   759.6073   8.5376       ?       ? 
1 1 1    5    3   34 o    152.6    1.4   232.8862   4.2688   232.8862   4.2688       ?       ? 
1 1 1    5    3   36 o    264.3    1.5   698.8957   7.8261   698.8957   7.8261       ?       ? 
1 1 1    5    3   38 o     81.7    2.2    66.8777   3.5573    66.8777   3.5573       ?       ? 
1 1 1    5    3   40 o     43.7    4.1    19.2096   3.5573    19.2096   3.5573       ?       ? 
1 1 1    5    3   42 o    105.3    2.0   110.9885   4.2688   110.9885   4.2688       ?       ? 
1 1 1    5    3   44 o    108.9    2.1   118.8146   4.5059   118.8146   4.5059       ?       ? 
1 1 1    5    3   46 o    184.3    1.6   340.0802   5.9289   340.0802   5.9289       ?       ? 
1 1 1    5    3   48 o    164.3    1.7   270.3567   5.6917   270.3567   5.6917       ?       ? 
1 1 1    5    3   50 o    110.5    2.4   122.3720   5.2174   122.3720   5.2174       ?       ? 
1 1 1    5    3   52 o    120.6    2.4   146.0874   5.6917   146.0874   5.6917       ?       ? 
1 1 1    5    3   54 o    165.4    2.1   274.1511   6.8775   274.1511   6.8775       ?       ? 
1 1 1    5    4    1 o     71.6    2.3    51.2255   3.3202    51.2255   3.3202       ?       ? 
1 1 1    5    4    3 o    164.1    3.5   269.6452  11.6206   269.6452  11.6206       ?       ? 
1 1 1    5    4    5 o    281.9    3.0   795.1805  16.8380   795.1805  16.8380       ?       ? 
1 1 1    5    4    7 o     96.8    1.6    93.6762   3.0830    93.6762   3.0830       ?       ? 
1 1 1    5    4    9 o     82.5    1.3    68.0635   2.1344    68.0635   2.1344       ?       ? 
1 1 1    5    4   11 o    269.7    1.8   727.3543   9.7234   727.3543   9.7234       ?       ? 
1 1 1    5    4   13 o    105.2    1.2   110.7514   2.6087   110.7514   2.6087       ?       ? 
1 1 1    5    4   15 o    278.0    1.6   773.1252   8.7747   773.1252   8.7747       ?       ? 
1 1 1    5    4   17 f    208.8    1.2   435.8908   5.2174   435.8908   5.2174       ?       ? 
1 1 1    5    4   19 o    473.5    2.2  2243.0115  20.8696  2243.0115  20.8696       ?       ? 
1 1 1    5    4   21 o    463.9    2.1  2152.6555  19.6839  2152.6555  19.6839       ?       ? 
1 1 1    5    4   23 o    212.2    1.3   450.3573   5.4546   450.3573   5.4546       ?       ? 
1 1 1    5    4   25 o    328.1    2.0  1076.4463  13.0435  1076.4463  13.0435       ?       ? 
1 1 1    5    4   27 o    274.2    1.5   751.7813   8.0633   751.7813   8.0633       ?       ? 
1 1 1    5    4   29 o    140.0    1.4   195.8900   4.0316   195.8900   4.0316       ?       ? 
1 1 1    5    4   31 o    274.6    1.5   754.1528   8.3004   754.1528   8.3004       ?       ? 
1 1 1    5    4   33 o    242.2    1.5   586.9585   7.3518   586.9585   7.3518       ?       ? 
1 1 1    5    4   35 o    185.5    1.4   344.1118   5.2174   344.1118   5.2174       ?       ? 
1 1 1    5    4   37 o    236.6    1.5   560.1600   6.8775   560.1600   6.8775       ?       ? 
1 1 1    5    4   39 o     53.3    3.3    28.4586   3.5573    28.4586   3.5573       ?       ? 
1 1 1    5    4   41 o    168.2    1.6   282.9259   5.2174   282.9259   5.2174       ?       ? 
1 1 1    5    4   43 o    170.4    1.5   290.7520   5.2174   290.7520   5.2174       ?       ? 
1 1 1    5    4   45 o    114.1    2.1   130.4352   4.7431   130.4352   4.7431       ?       ? 
1 1 1    5    4   47 o     23.9    7.8     5.6917   4.2688     5.6917   4.2688       ?       ? 
1 1 1    5    4   49 o     40.7    5.8    16.8380   4.7431    16.8380   4.7431       ?       ? 
1 1 1    5    4   51 o    137.5    2.0   189.7240   5.4546   189.7240   5.4546       ?       ? 
1 1 1    5    4   53 o    107.8    2.5   116.6802   5.4546   116.6802   5.4546       ?       ? 
1 1 1    5    5    2 o     36.3    4.3    13.7550   3.0830    13.7550   3.0830     0.0     0.0 
1 1 1    5    5    4 o    106.9    3.2   114.5458   6.8775   114.5458   6.8775     0.0     0.0 
1 1 1    5    5    6 o     99.7    3.5    99.8422   6.8775    99.8422   6.8775     0.0     0.0 
1 1 1    5    5    8 o     79.8    1.9    63.7947   3.0830    63.7947   3.0830     0.0     0.0 
1 1 1    5    5   10 o    251.1    2.8   631.0693  13.9921   631.0693  13.9921     0.0     0.0 
1 1 1    5    5   12 o    145.2    2.2   211.0679   6.4032   211.0679   6.4032     0.0     0.0 
1 1 1    5    5   14 o    205.4    2.0   421.8987   8.3004   421.8987   8.3004     0.0     0.0 
1 1 1    5    5   16 o    592.9    4.4  3517.7197  52.1741  3517.7197  52.1741     0.0     0.0 
1 1 1    5    5   18 o    309.7    2.5   959.7662  15.6522   959.7662  15.6522     0.0     0.0 
1 1 1    5    5   20 o    665.7    4.4  4433.6118  58.5773  4433.6118  58.5773     0.0     0.0 
1 1 1    5    5   22 o    349.9    2.9  1225.1425  20.3953  1225.1425  20.3953     0.0     0.0 
1 1 1    5    5   24 o    202.6    1.8   410.7524   7.3518   410.7524   7.3518     0.0     0.0 
1 1 1    5    5   26 o    102.7    2.2   105.5340   4.5059   105.5340   4.5059     0.0     0.0 
1 1 1    5    5   28 f     40.0    5.2    16.8380   4.0316    16.8380   4.0316     0.0     0.0 
1 1 1    5    5   30 o     63.6    3.2    40.7907   4.0316    40.7907   4.0316     0.0     0.0 
1 1 1    5    5   32 o     39.5    4.9    16.3637   3.7945    16.3637   3.7945     0.0     0.0 
1 1 1    5    5   34 o    105.7    2.4   111.9371   4.9803   111.9371   4.9803     0.0     0.0 
1 1 1    5    5   36 o     16.4    9.1     3.7945   4.2688     3.7945   4.2688     0.0     0.0 
1 1 1    5    5   38 o     16.3    9.3     3.5573   4.7431     3.5573   4.7431     0.0     0.0 
1 1 1    5    5   40 o    186.6    2.1   348.3806   7.8261   348.3806   7.8261     0.0     0.0 
1 1 1    5    5   42 o     18.0   10.1     4.5059   5.4546     4.5059   5.4546     0.0     0.0 
1 1 1    5    5   44 o     21.0   10.8     6.6403   5.6917     6.6403   5.6917     0.0     0.0 
1 1 1    5    5   46 o    136.2    2.8   186.1666   7.5890   186.1666   7.5890     0.0     0.0 
1 1 1    5    5   48 o     22.2   12.0     7.3518   7.3518     7.3518   7.3518     0.0     0.0 
1 1 1    5    5   50 o     16.7   10.6     1.6601   7.5890     1.6601   7.5890     0.0     0.0 
1 1 1    5    5   52 o     61.6    6.7    39.8420   8.0633    39.8420   8.0633     0.0     0.0 
1 1 1    6    0    2 o     58.2    2.9    34.1503   3.3202    34.1503   3.3202     0.0     0.0 
1 1 1    6    0    4 o    155.2    3.2   241.4238   9.9605   241.4238   9.9605     0.0     0.0 
1 1 1    6    0    6 o    236.7    3.2   560.8715  14.9408   560.8715  14.9408     0.0     0.0 
1 1 1    6    0    8 o    447.4    4.2  2003.7223  37.9448  2003.7223  37.9448     0.0     0.0 
1 1 1    6    0   10 o    207.5    2.3   430.6734   9.7234   430.6734   9.7234     0.0     0.0 
1 1 1    6    0   12 o     42.2    2.8    18.0238   2.3715    18.0238   2.3715     0.0     0.0 
1 1 1    6    0   14 o    234.3    1.9   549.0137   8.7747   549.0137   8.7747     0.0     0.0 
1 1 1    6    0   16 o     37.6    3.2    14.4665   2.3715    14.4665   2.3715     0.0     0.0 
1 1 1    6    0   18 o    104.1    1.6   108.3798   3.3202   108.3798   3.3202     0.0     0.0 
1 1 1    6    0   20 o     60.1    2.2    36.2847   2.6087    36.2847   2.6087     0.0     0.0 
1 1 1    6    0   22 o    497.2    3.0  2473.0520  29.8815  2473.0520  29.8815     0.0     0.0 
1 1 1    6    0   24 o    351.4    2.3  1235.3402  16.3637  1235.3402  16.3637     0.0     0.0 
1 1 1    6    0   26 o    552.6    3.9  3055.7417  42.6879  3055.7417  42.6879     0.0     0.0 
1 1 1    6    0   28 o    343.6    2.3  1180.7946  16.1265  1180.7946  16.1265     0.0     0.0 
1 1 1    6    0   30 o    336.6    2.4  1133.3635  15.8894  1133.3635  15.8894     0.0     0.0 
1 1 1    6    0   32 o    292.5    2.1   855.6551  12.5692   855.6551  12.5692     0.0     0.0 
1 1 1    6    0   34 o    141.5    2.2   200.3959   6.1660   200.3959   6.1660     0.0     0.0 
1 1 1    6    0   36 o     55.3    3.9    31.0673   4.2688    31.0673   4.2688     0.0     0.0 
1 1 1    6    0   38 o    198.8    2.4   395.5745   9.4862   395.5745   9.4862     0.0     0.0 
1 1 1    6    0   40 o     79.6    3.4    63.7947   5.4546    63.7947   5.4546     0.0     0.0 
1 1 1    6    0   42 o    151.8    2.9   230.7518   8.7747   230.7518   8.7747     0.0     0.0 
1 1 1    6    0   44 o    159.7    2.7   255.4159   8.5376   255.4159   8.5376     0.0     0.0 
1 1 1    6    0   46 o     13.8    9.5    -3.7945   7.8261    -3.7945   7.8261     0.0     0.0 
1 1 1    6    0   48 o     16.6   10.2     2.6087   6.4032     2.6087   6.4032     0.0     0.0 
1 1 1    6    0   50 o     94.0    3.9    89.1703   7.3518    89.1703   7.3518     0.0     0.0 
1 1 1    6    0   52 f     12.5    8.5    -3.0830   6.4032    -3.0830   6.4032     0.0     0.0 
1 1 1    6    0   54 o    168.1    2.8   283.6373   9.4862   283.6373   9.4862     0.0     0.0 
1 1 1    6    1    1 o    100.7    2.2   101.5023   4.5059   101.5023   4.5059       ?       ? 
1 1 1    6    1    3 o    168.7    2.4   284.8231   8.0633   284.8231   8.0633       ?       ? 
1 1 1    6    1    5 o    407.4    3.9  1662.2191  31.7788  1662.2191  31.7788       ?       ? 
1 1 1    6    1    7 o     20.3    3.6     4.2688   1.4229     4.2688   1.4229       ?       ? 
1 1 1    6    1    9 o    155.3    1.5   241.1866   4.5059   241.1866   4.5059       ?       ? 
1 1 1    6    1   11 f    254.5    1.7   647.9074   8.5376   647.9074   8.5376       ?       ? 
1 1 1    6    1   13 o     62.2    1.3    38.6563   1.6601    38.6563   1.6601       ?       ? 
1 1 1    6    1   15 o    235.3    1.4   553.7568   6.4032   553.7568   6.4032       ?       ? 
1 1 1    6    1   17 o    279.8    1.5   782.8485   8.3004   782.8485   8.3004       ?       ? 
1 1 1    6    1   19 o    404.9    1.9  1639.4523  15.4151  1639.4523  15.4151       ?       ? 
1 1 1    6    1   21 o    373.9    1.7  1398.5028  12.5692  1398.5028  12.5692       ?       ? 
1 1 1    6    1   23 o    384.0    1.8  1474.6295  13.7550  1474.6295  13.7550       ?       ? 
1 1 1    6    1   25 o    234.0    1.5   547.5908   6.8775   547.5908   6.8775       ?       ? 
1 1 1    6    1   27 o    234.8    1.4   551.1481   6.4032   551.1481   6.4032       ?       ? 
1 1 1    6    1   29 o    529.7    2.3  2806.9661  24.1898  2806.9661  24.1898       ?       ? 
1 1 1    6    1   31 o     96.9    1.8    93.9134   3.5573    93.9134   3.5573       ?       ? 
1 1 1    6    1   33 o    323.4    1.7  1045.8534  10.6720  1045.8534  10.6720       ?       ? 
1 1 1    6    1   35 o    176.6    1.5   312.0959   5.2174   312.0959   5.2174       ?       ? 
1 1 1    6    1   37 o     66.7    2.5    44.5851   3.3202    44.5851   3.3202       ?       ? 
1 1 1    6    1   39 o     85.8    2.1    73.7552   3.5573    73.7552   3.5573       ?       ? 
1 1 1    6    1   41 f     75.1    2.5    56.4429   3.7945    56.4429   3.7945       ?       ? 
1 1 1    6    1   43 o     73.9    2.7    54.7828   4.0316    54.7828   4.0316       ?       ? 
1 1 1    6    1   45 o     51.6    4.1    26.7985   4.2688    26.7985   4.2688       ?       ? 
1 1 1    6    1   47 o     73.4    3.1    54.0713   4.5059    54.0713   4.5059       ?       ? 
1 1 1    6    1   49 f     30.2    7.2     9.7234   4.2688     9.7234   4.2688       ?       ? 
1 1 1    6    1   51 o     60.1    4.1    36.5219   4.9803    36.5219   4.9803       ?       ? 
1 1 1    6    1   53 o     99.6    2.4    99.6051   4.7431    99.6051   4.7431       ?       ? 
1 1 1    6    2    0 o    196.9    3.3   388.2227  13.0435   388.2227  13.0435     0.0     0.0 
1 1 1    6    2    2 o     16.5    3.7     2.8459   1.1858     2.8459   1.1858       ?       ? 
1 1 1    6    2    4 o    168.4    2.3   283.8745   7.8261   283.8745   7.8261       ?       ? 
1 1 1    6    2    6 o    349.3    3.3  1221.3480  22.7669  1221.3480  22.7669       ?       ? 
1 1 1    6    2    8 o     59.8    1.2    35.8104   1.4229    35.8104   1.4229       ?       ? 
1 1 1    6    2   10 o    327.2    2.3  1070.9918  14.9408  1070.9918  14.9408       ?       ? 
1 1 1    6    2   12 o    138.2    1.1   190.9097   3.0830   190.9097   3.0830       ?       ? 
1 1 1    6    2   14 o    347.6    1.9  1208.7788  13.2807  1208.7788  13.2807       ?       ? 
1 1 1    6    2   16 o    166.6    1.2   277.7085   4.0316   277.7085   4.0316       ?       ? 
1 1 1    6    2   18 o    509.5    2.4  2596.6096  23.9527  2596.6096  23.9527       ?       ? 
1 1 1    6    2   20 o    114.6    1.1   131.3839   2.6087   131.3839   2.6087       ?       ? 
1 1 1    6    2   22 o    127.5    1.2   162.4511   3.0830   162.4511   3.0830       ?       ? 
1 1 1    6    2   24 o    308.5    1.5   951.7028   9.4862   951.7028   9.4862       ?       ? 
1 1 1    6    2   26 f    375.5    1.8  1410.3606  13.7550  1410.3606  13.7550       ?       ? 
1 1 1    6    2   28 o    423.0    1.9  1790.0457  16.3637  1790.0457  16.3637       ?       ? 
1 1 1    6    2   30 o    166.6    1.5   277.4713   4.9803   277.4713   4.9803       ?       ? 
1 1 1    6    2   32 f     77.8    2.1    60.4745   3.3202    60.4745   3.3202       ?       ? 
1 1 1    6    2   34 o     72.5    2.1    52.6484   3.0830    52.6484   3.0830       ?       ? 
1 1 1    6    2   36 o    141.2    1.5   199.4473   4.2688   199.4473   4.2688       ?       ? 
1 1 1    6    2   38 o     97.7    1.8    95.5734   3.5573    95.5734   3.5573       ?       ? 
1 1 1    6    2   40 o     55.3    3.0    30.5930   3.3202    30.5930   3.3202       ?       ? 
1 1 1    6    2   42 o     25.8    7.4     6.8775   4.0316     6.8775   4.0316       ?       ? 
1 1 1    6    2   44 o     36.3    5.6    13.2807   4.0316    13.2807   4.0316       ?       ? 
1 1 1    6    2   46 o     97.9    2.3    96.0478   4.5059    96.0478   4.5059       ?       ? 
1 1 1    6    2   48 o     62.2    3.4    38.8934   4.2688    38.8934   4.2688       ?       ? 
1 1 1    6    2   50 o     81.3    2.9    66.4034   4.7431    66.4034   4.7431       ?       ? 
1 1 1    6    2   52 o     69.9    3.6    49.3282   4.9803    49.3282   4.9803       ?       ? 
1 1 1    6    3    1 o    201.3    1.9   405.2978   7.8261   405.2978   7.8261       ?       ? 
1 1 1    6    3    3 o    278.2    3.3   774.7853  18.4981   774.7853  18.4981       ?       ? 
1 1 1    6    3    5 f    126.9    2.1   161.0282   5.2174   161.0282   5.2174       ?       ? 
1 1 1    6    3    7 o     86.4    1.2    74.7038   2.1344    74.7038   2.1344       ?       ? 
1 1 1    6    3    9 o     96.8    1.2    93.6762   2.3715    93.6762   2.3715       ?       ? 
1 1 1    6    3   11 o    196.5    1.6   386.3254   6.4032   386.3254   6.4032       ?       ? 
1 1 1    6    3   13 o    153.4    1.4   235.2577   4.2688   235.2577   4.2688       ?       ? 
1 1 1    6    3   15 o    161.5    1.2   260.8705   3.7945   260.8705   3.7945       ?       ? 
1 1 1    6    3   17 o    110.5    1.2   122.1348   2.6087   122.1348   2.6087       ?       ? 
1 1 1    6    3   19 o    150.2    1.1   225.5344   3.3202   225.5344   3.3202       ?       ? 
1 1 1    6    3   21 o    157.0    1.3   246.4040   4.0316   246.4040   4.0316       ?       ? 
1 1 1    6    3   23 o    151.6    1.2   229.8032   3.5573   229.8032   3.5573       ?       ? 
1 1 1    6    3   25 o    295.1    1.4   870.8331   8.5376   870.8331   8.5376       ?       ? 
1 1 1    6    3   27 o    124.2    1.3   154.3879   3.3202   154.3879   3.3202       ?       ? 
1 1 1    6    3   29 o     56.4    2.7    31.7788   3.0830    31.7788   3.0830       ?       ? 
1 1 1    6    3   31 o    160.7    1.4   258.2617   4.5059   258.2617   4.5059       ?       ? 
1 1 1    6    3   33 o     99.0    1.6    97.9450   3.0830    97.9450   3.0830       ?       ? 
1 1 1    6    3   35 o     53.3    2.9    28.4586   3.0830    28.4586   3.0830       ?       ? 
1 1 1    6    3   37 o     91.3    1.9    83.4785   3.5573    83.4785   3.5573       ?       ? 
1 1 1    6    3   39 o     70.2    2.5    49.3282   3.5573    49.3282   3.5573       ?       ? 
1 1 1    6    3   41 o    113.2    2.2   128.3008   4.9803   128.3008   4.9803       ?       ? 
1 1 1    6    3   43 o    106.7    2.0   114.0715   4.2688   114.0715   4.2688       ?       ? 
1 1 1    6    3   45 o    103.3    2.2   106.9569   4.5059   106.9569   4.5059       ?       ? 
1 1 1    6    3   47 o     73.4    3.2    54.0713   4.7431    54.0713   4.7431       ?       ? 
1 1 1    6    3   49 o     52.4    4.3    27.7471   4.5059    27.7471   4.5059       ?       ? 
1 1 1    6    3   51 o    137.3    2.2   189.2497   5.9289   189.2497   5.9289       ?       ? 
1 1 1    6    3   53 o     27.2    8.1     7.8261   4.7431     7.8261   4.7431       ?       ? 
1 1 1    6    4    0 o    313.7    5.4   986.0903  33.9132   986.0903  33.9132     0.0     0.0 
1 1 1    6    4    2 o    225.0    2.8   506.5630  12.8064   506.5630  12.8064       ?       ? 
1 1 1    6    4    4 o    189.4    2.8   359.0526  10.4348   359.0526  10.4348       ?       ? 
1 1 1    6    4    6 o    244.5    2.2   598.1048  10.9091   598.1048  10.9091       ?       ? 
1 1 1    6    4    8 o    124.4    1.7   154.8622   4.2688   154.8622   4.2688       ?       ? 
1 1 1    6    4   10 o    375.0    3.3  1407.2776  24.9013  1407.2776  24.9013       ?       ? 
1 1 1    6    4   12 o    124.9    1.3   156.0480   3.3202   156.0480   3.3202       ?       ? 
1 1 1    6    4   14 o    270.5    1.9   731.6230  10.4348   731.6230  10.4348       ?       ? 
1 1 1    6    4   16 o    544.0    2.9  2960.4055  31.0673  2960.4055  31.0673       ?       ? 
1 1 1    6    4   18 o     64.2    1.7    41.2650   2.1344    41.2650   2.1344       ?       ? 
1 1 1    6    4   20 o    229.8    1.4   527.9070   6.4032   527.9070   6.4032       ?       ? 
1 1 1    6    4   22 o    226.1    1.6   511.3061   7.1146   511.3061   7.1146       ?       ? 
1 1 1    6    4   24 f    288.5    1.6   832.6511   9.0119   832.6511   9.0119       ?       ? 
1 1 1    6    4   26 o     95.5    1.5    91.3047   2.8459    91.3047   2.8459       ?       ? 
1 1 1    6    4   28 o    267.7    1.7   716.6823   9.2490   716.6823   9.2490       ?       ? 
1 1 1    6    4   30 o    119.6    1.5   143.0044   3.5573   143.0044   3.5573       ?       ? 
1 1 1    6    4   32 o     57.4    2.7    32.9645   3.0830    32.9645   3.0830       ?       ? 
1 1 1    6    4   34 o    152.1    1.6   231.4632   4.7431   231.4632   4.7431       ?       ? 
1 1 1    6    4   36 o     66.6    2.5    44.3480   3.3202    44.3480   3.3202       ?       ? 
1 1 1    6    4   38 o    146.2    1.5   213.9138   4.5059   213.9138   4.5059       ?       ? 
1 1 1    6    4   40 o    112.0    2.0   125.4550   4.5059   125.4550   4.5059       ?       ? 
1 1 1    6    4   42 o    210.4    1.5   443.0055   6.1660   443.0055   6.1660       ?       ? 
1 1 1    6    4   44 o     49.5    4.1    24.6641   4.0316    24.6641   4.0316       ?       ? 
1 1 1    6    4   46 f    146.1    1.9   213.6766   5.4546   213.6766   5.4546       ?       ? 
1 1 1    6    4   48 o    139.2    1.9   194.2299   5.2174   194.2299   5.2174       ?       ? 
1 1 1    6    4   50 o    159.5    1.8   254.9416   5.6917   254.9416   5.6917       ?       ? 
1 1 1    6    4   52 o     38.2    6.2    14.9408   4.7431    14.9408   4.7431       ?       ? 
1 1 1    6    5    1 o    113.9    2.9   129.7238   6.6403   129.7238   6.6403       ?       ? 
1 1 1    6    5    3 o    131.6    3.6   173.3603   9.4862   173.3603   9.4862       ?       ? 
1 1 1    6    5    5 o    110.1    2.6   121.1862   5.6917   121.1862   5.6917       ?       ? 
1 1 1    6    5    7 o    237.1    2.3   562.5316  10.9091   562.5316  10.9091       ?       ? 
1 1 1    6    5    9 o    262.1    2.5   687.5122  13.2807   687.5122  13.2807       ?       ? 
1 1 1    6    5   11 o    140.1    1.6   196.3643   4.5059   196.3643   4.5059       ?       ? 
1 1 1    6    5   13 o    239.5    1.9   573.6779   9.0119   573.6779   9.0119       ?       ? 
1 1 1    6    5   15 o    167.7    1.4   281.2658   4.7431   281.2658   4.7431       ?       ? 
1 1 1    6    5   17 f     23.9    4.6     5.9289   2.1344     5.9289   2.1344       ?       ? 
1 1 1    6    5   19 o     70.7    1.8    50.0397   2.6087    50.0397   2.6087       ?       ? 
1 1 1    6    5   21 o     94.0    1.5    88.4588   2.8459    88.4588   2.8459       ?       ? 
1 1 1    6    5   23 o     38.6    4.0    14.9408   3.0830    14.9408   3.0830       ?       ? 
1 1 1    6    5   25 o    266.6    1.6   710.9905   8.3004   710.9905   8.3004       ?       ? 
1 1 1    6    5   27 o    156.4    1.3   244.7439   4.0316   244.7439   4.0316       ?       ? 
1 1 1    6    5   29 o    274.5    1.6   753.6784   9.0119   753.6784   9.0119       ?       ? 
1 1 1    6    5   31 o    189.3    1.4   358.5783   5.2174   358.5783   5.2174       ?       ? 
1 1 1    6    5   33 f    113.4    1.6   128.5380   3.5573   128.5380   3.5573       ?       ? 
1 1 1    6    5   35 o    119.7    1.6   143.2416   3.7945   143.2416   3.7945       ?       ? 
1 1 1    6    5   37 o    239.0    1.4   571.3063   6.8775   571.3063   6.8775       ?       ? 
1 1 1    6    5   39 o    206.8    1.5   427.8275   6.1660   427.8275   6.1660       ?       ? 
1 1 1    6    5   41 o    187.3    1.6   351.2265   5.9289   351.2265   5.9289       ?       ? 
1 1 1    6    5   43 o     20.0    7.6     2.8459   4.2688     2.8459   4.2688       ?       ? 
1 1 1    6    5   45 o     55.2    3.7    30.5930   4.0316    30.5930   4.0316       ?       ? 
1 1 1    6    5   47 o     24.9    8.2     6.1660   4.7431     6.1660   4.7431       ?       ? 
1 1 1    6    5   49 o     44.4    5.6    20.1582   4.9803    20.1582   4.9803       ?       ? 
1 1 1    6    5   51 o     95.8    3.0    92.2533   5.6917    92.2533   5.6917       ?       ? 
1 1 1    6    6    2 o    316.9    6.0  1006.7228  37.9448  1006.7228  37.9448     0.0     0.0 
1 1 1    6    6    4 o     66.2    4.3    44.3480   5.6917    44.3480   5.6917     0.0     0.0 
1 1 1    6    6    6 o    212.3    4.4   451.5430  18.7352   451.5430  18.7352     0.0     0.0 
1 1 1    6    6    8 o    426.9    7.8  1827.2789  66.4034  1827.2789  66.4034     0.0     0.0 
1 1 1    6    6   10 o    120.9    2.3   146.3246   5.4546   146.3246   5.4546     0.0     0.0 
1 1 1    6    6   12 o    139.8    2.4   195.6528   6.6403   195.6528   6.6403     0.0     0.0 
1 1 1    6    6   14 o     44.6    4.1    20.3953   3.5573    20.3953   3.5573     0.0     0.0 
1 1 1    6    6   16 o    296.0    2.9   876.5247  17.3123   876.5247  17.3123     0.0     0.0 
1 1 1    6    6   18 o     16.5    8.3     4.0316   3.3202     4.0316   3.3202     0.0     0.0 
1 1 1    6    6   20 o    289.7    3.0   839.7657  17.3123   839.7657  17.3123     0.0     0.0 
1 1 1    6    6   22 f     99.4    2.0    98.8936   4.0316    98.8936   4.0316     0.0     0.0 
1 1 1    6    6   24 o     58.1    4.3    34.3875   4.9803    34.3875   4.9803     0.0     0.0 
1 1 1    6    6   26 o    231.3    2.0   535.2587   9.2490   535.2587   9.2490     0.0     0.0 
1 1 1    6    6   28 o    210.2    2.0   442.0568   8.3004   442.0568   8.3004     0.0     0.0 
1 1 1    6    6   30 o    241.9    2.1   585.2985   9.9605   585.2985   9.9605     0.0     0.0 
1 1 1    6    6   32 o     16.8    9.6     3.7945   4.9803     3.7945   4.9803     0.0     0.0 
1 1 1    6    6   34 o     43.3    5.4    18.9724   4.7431    18.9724   4.7431     0.0     0.0 
1 1 1    6    6   36 o    245.4    2.1   602.3736  10.4348   602.3736  10.4348     0.0     0.0 
1 1 1    6    6   38 o     23.6   11.2     8.3004   5.9289     8.3004   5.9289     0.0     0.0 
1 1 1    6    6   40 o    325.8    2.5  1062.9286  16.1265  1062.9286  16.1265     0.0     0.0 
1 1 1    6    6   42 o     50.3    5.5    26.3242   5.4546    26.3242   5.4546     0.0     0.0 
1 1 1    6    6   44 o     63.3    4.9    41.0278   6.1660    41.0278   6.1660     0.0     0.0 
1 1 1    6    6   46 o     19.1   10.8     5.2174   6.1660     5.2174   6.1660     0.0     0.0 
1 1 1    6    6   48 o     34.2   11.3    15.4151   6.8775    15.4151   6.8775     0.0     0.0 
1 1 1    6    6   50 o    118.4    3.1   140.8701   7.3518   140.8701   7.3518     0.0     0.0 
1 1 1    7    0    3 o    608.8    9.7  3724.2815 117.6289  3724.2815 117.6289     0.0     0.0 
1 1 1    7    0    5 o    253.5    4.8   643.8757  24.4270   643.8757  24.4270     0.0     0.0 
1 1 1    7    0    7 o     31.1    4.8    10.1977   2.8459    10.1977   2.8459     0.0     0.0 
1 1 1    7    0    9 f    255.7    2.7   654.3105  13.7550   654.3105  13.7550     0.0     0.0 
1 1 1    7    0   11 o    163.6    2.1   267.7480   6.8775   267.7480   6.8775     0.0     0.0 
1 1 1    7    0   13 o    185.1    2.2   342.9261   8.0633   342.9261   8.0633     0.0     0.0 
1 1 1    7    0   15 o    176.0    1.8   309.9615   6.1660   309.9615   6.1660     0.0     0.0 
1 1 1    7    0   17 o    181.1    1.8   327.9853   6.4032   327.9853   6.4032     0.0     0.0 
1 1 1    7    0   19 o    274.2    2.2   752.0184  11.8577   752.0184  11.8577     0.0     0.0 
1 1 1    7    0   21 o    132.3    1.9   175.2575   4.9803   175.2575   4.9803     0.0     0.0 
1 1 1    7    0   23 o     37.5    5.2    14.4665   3.7945    14.4665   3.7945     0.0     0.0 
1 1 1    7    0   25 f     27.9    7.4     9.2490   3.5573     9.2490   3.5573     0.0     0.0 
1 1 1    7    0   27 o    147.3    1.8   217.2339   5.2174   217.2339   5.2174     0.0     0.0 
1 1 1    7    0   29 o    685.4    4.1  4701.3599  55.9686  4701.3599  55.9686     0.0     0.0 
1 1 1    7    0   31 o     93.1    2.4    86.7987   4.5059    86.7987   4.5059     0.0     0.0 
1 1 1    7    0   33 o    568.2    3.4  3230.2876  38.4191  3230.2876  38.4191     0.0     0.0 
1 1 1    7    0   35 o    282.5    2.1   798.5008  11.8577   798.5008  11.8577     0.0     0.0 
1 1 1    7    0   37 f     12.3    8.4    -3.0830   6.1660    -3.0830   6.1660     0.0     0.0 
1 1 1    7    0   39 f    180.0    2.1   324.4280   7.5890   324.4280   7.5890     0.0     0.0 
1 1 1    7    0   41 o     58.2    4.7    34.6246   5.4546    34.6246   5.4546     0.0     0.0 
1 1 1    7    0   43 o     73.1    4.3    54.0713   6.1660    54.0713   6.1660     0.0     0.0 
1 1 1    7    0   45 o    145.8    2.5   212.9652   7.3518   212.9652   7.3518     0.0     0.0 
1 1 1    7    0   47 o     16.4   10.0     2.6087   6.1660     2.6087   6.1660     0.0     0.0 
1 1 1    7    0   49 o    123.1    3.2   152.2535   7.8261   152.2535   7.8261     0.0     0.0 
1 1 1    7    0   51 o     60.1    6.0    37.7076   7.1146    37.7076   7.1146     0.0     0.0 
1 1 1    7    1    0 o    115.7    2.8   134.2297   6.4032   134.2297   6.4032     0.0     0.0 
1 1 1    7    1    2 f     65.9    3.1    43.3994   4.0316    43.3994   4.0316       ?       ? 
1 1 1    7    1    4 o    178.8    3.6   319.9220  13.0435   319.9220  13.0435       ?       ? 
1 1 1    7    1    6 o    289.3    3.0   837.6313  17.5495   837.6313  17.5495       ?       ? 
1 1 1    7    1    8 o    304.2    2.7   926.0901  16.1265   926.0901  16.1265       ?       ? 
1 1 1    7    1   10 o     66.8    1.6    44.5851   2.1344    44.5851   2.1344       ?       ? 
1 1 1    7    1   12 f    236.5    1.8   559.6857   8.5376   559.6857   8.5376       ?       ? 
1 1 1    7    1   14 o    131.2    1.4   172.1745   3.5573   172.1745   3.5573       ?       ? 
1 1 1    7    1   16 o    133.7    1.2   178.8148   3.0830   178.8148   3.0830       ?       ? 
1 1 1    7    1   18 o    171.3    1.2   293.3607   4.2688   293.3607   4.2688       ?       ? 
1 1 1    7    1   20 o     15.6    5.5     2.1344   2.1344     2.1344   2.1344       ?       ? 
1 1 1    7    1   22 o    363.4    1.9  1320.4788  13.5178  1320.4788  13.5178       ?       ? 
1 1 1    7    1   24 o    145.2    1.3   210.8308   3.7945   210.8308   3.7945       ?       ? 
1 1 1    7    1   26 f    107.2    1.5   115.0202   3.3202   115.0202   3.3202       ?       ? 
1 1 1    7    1   28 o    225.1    1.6   506.8001   7.3518   506.8001   7.3518       ?       ? 
1 1 1    7    1   30 f     69.0    2.1    47.6681   2.8459    47.6681   2.8459       ?       ? 
1 1 1    7    1   32 o    235.5    1.5   554.7054   6.8775   554.7054   6.8775       ?       ? 
1 1 1    7    1   34 o    161.2    1.5   259.9218   4.7431   259.9218   4.7431       ?       ? 
1 1 1    7    1   36 o    106.4    1.7   113.3601   3.5573   113.3601   3.5573       ?       ? 
1 1 1    7    1   38 o    100.1    2.0   100.3165   4.0316   100.3165   4.0316       ?       ? 
1 1 1    7    1   40 o     16.9    7.2     0.0000   4.2688     0.0000   4.2688       ?       ? 
1 1 1    7    1   42 o    166.4    1.6   276.9970   5.4546   276.9970   5.4546       ?       ? 
1 1 1    7    1   44 o    123.9    2.1   153.6764   5.2174   153.6764   5.2174       ?       ? 
1 1 1    7    1   46 o     73.9    2.7    54.7828   4.0316    54.7828   4.0316       ?       ? 
1 1 1    7    1   48 o     80.9    2.8    65.6919   4.5059    65.6919   4.5059       ?       ? 
1 1 1    7    1   50 o     46.4    5.9    22.0554   5.4546    22.0554   5.4546       ?       ? 
1 1 1    7    1   52 o     58.0    3.7    33.9132   4.2688    33.9132   4.2688       ?       ? 
1 1 1    7    2    1 o    165.3    2.2   273.4397   7.1146   273.4397   7.1146       ?       ? 
1 1 1    7    2    3 o    360.3    4.2  1299.8463  30.1187  1299.8463  30.1187       ?       ? 
1 1 1    7    2    5 o    269.7    3.3   727.8286  17.5495   727.8286  17.5495       ?       ? 
1 1 1    7    2    7 o    123.1    1.4   151.5420   3.5573   151.5420   3.5573       ?       ? 
1 1 1    7    2    9 o    216.2    2.1   467.6696   9.0119   467.6696   9.0119       ?       ? 
1 1 1    7    2   11 o     40.4    2.1    16.3637   1.6601    16.3637   1.6601       ?       ? 
1 1 1    7    2   13 o    327.4    2.0  1072.4148  13.2807  1072.4148  13.2807       ?       ? 
1 1 1    7    2   15 o    430.4    2.4  1853.3660  20.6325  1853.3660  20.6325       ?       ? 
1 1 1    7    2   17 o     75.6    1.4    57.1543   2.1344    57.1543   2.1344       ?       ? 
1 1 1    7    2   19 o    107.4    1.3   115.2573   2.8459   115.2573   2.8459       ?       ? 
1 1 1    7    2   21 o    349.5    1.9  1222.0594  13.5178  1222.0594  13.5178       ?       ? 
1 1 1    7    2   23 o    414.4    2.0  1717.4762  16.8380  1717.4762  16.8380       ?       ? 
1 1 1    7    2   25 o    205.7    1.4   423.3216   5.6917   423.3216   5.6917       ?       ? 
1 1 1    7    2   27 f    202.9    1.3   411.9382   5.4546   411.9382   5.4546       ?       ? 
1 1 1    7    2   29 o    149.9    1.3   224.8229   4.0316   224.8229   4.0316       ?       ? 
1 1 1    7    2   31 o    159.0    1.3   252.8072   4.0316   252.8072   4.0316       ?       ? 
1 1 1    7    2   33 o    138.3    1.5   191.3840   4.0316   191.3840   4.0316       ?       ? 
1 1 1    7    2   35 o     78.0    2.1    60.9488   3.3202    60.9488   3.3202       ?       ? 
1 1 1    7    2   37 o    151.0    1.5   228.1431   4.5059   228.1431   4.5059       ?       ? 
1 1 1    7    2   39 o    187.3    1.5   350.7522   5.4546   350.7522   5.4546       ?       ? 
1 1 1    7    2   41 f    124.0    1.9   153.9136   4.7431   153.9136   4.7431       ?       ? 
1 1 1    7    2   43 o    105.7    2.1   111.9371   4.5059   111.9371   4.5059       ?       ? 
1 1 1    7    2   45 o     19.0    7.4     2.3715   4.0316     2.3715   4.0316       ?       ? 
1 1 1    7    2   47 o     30.0    6.5     9.4862   3.7945     9.4862   3.7945       ?       ? 
1 1 1    7    2   49 o     13.0    6.3    -6.6403   4.7431    -6.6403   4.7431       ?       ? 
1 1 1    7    2   51 o     18.2    7.7     0.7115   4.7431     0.7115   4.7431       ?       ? 
1 1 1    7    3    0 f     64.9    1.3    42.2136   1.6601    42.2136   1.6601     0.0     0.0 
1 1 1    7    3    2 o    352.3    4.0  1242.9291  28.4586  1242.9291  28.4586       ?       ? 
1 1 1    7    3    4 o     70.7    2.0    50.0397   2.8459    50.0397   2.8459       ?       ? 
1 1 1    7    3    6 o    430.7    4.8  1858.8206  41.7393  1858.8206  41.7393       ?       ? 
1 1 1    7    3    8 o    206.6    1.9   426.8789   7.8261   426.8789   7.8261       ?       ? 
1 1 1    7    3   10 o    313.8    2.2   985.1417  13.9921   985.1417  13.9921       ?       ? 
1 1 1    7    3   12 o    285.3    2.1   813.9158  11.8577   813.9158  11.8577       ?       ? 
1 1 1    7    3   14 o    376.2    2.4  1415.3408  18.2609  1415.3408  18.2609       ?       ? 
1 1 1    7    3   16 o     98.8    1.4    97.7078   2.8459    97.7078   2.8459       ?       ? 
1 1 1    7    3   18 o    155.7    1.2   242.3724   3.7945   242.3724   3.7945       ?       ? 
1 1 1    7    3   20 o     78.2    1.5    61.1860   2.3715    61.1860   2.3715       ?       ? 
1 1 1    7    3   22 o    105.9    1.3   112.1743   2.8459   112.1743   2.8459       ?       ? 
1 1 1    7    3   24 o    233.2    1.5   543.7963   7.1146   543.7963   7.1146       ?       ? 
1 1 1    7    3   26 o    199.9    1.3   399.6061   5.2174   399.6061   5.2174       ?       ? 
1 1 1    7    3   28 o     50.4    2.6    25.3756   2.6087    25.3756   2.6087       ?       ? 
1 1 1    7    3   30 o    256.6    1.4   658.3422   7.1146   658.3422   7.1146       ?       ? 
1 1 1    7    3   32 o     53.3    2.9    28.4586   3.0830    28.4586   3.0830       ?       ? 
1 1 1    7    3   34 o    121.7    1.6   148.2218   3.7945   148.2218   3.7945       ?       ? 
1 1 1    7    3   36 o     87.9    2.0    77.3125   3.5573    77.3125   3.5573       ?       ? 
1 1 1    7    3   38 o    124.4    1.7   154.8622   4.2688   154.8622   4.2688       ?       ? 
1 1 1    7    3   40 o    237.8    1.5   565.6146   7.3518   565.6146   7.3518       ?       ? 
1 1 1    7    3   42 o    198.2    1.6   393.2029   6.4032   393.2029   6.4032       ?       ? 
1 1 1    7    3   44 o     36.8    5.5    13.7550   4.0316    13.7550   4.0316       ?       ? 
1 1 1    7    3   46 o     35.0    6.3    12.8064   4.2688    12.8064   4.2688       ?       ? 
1 1 1    7    3   48 o     29.0    7.7     9.0119   4.5059     9.0119   4.5059       ?       ? 
1 1 1    7    3   50 o     27.4    8.1     8.0633   4.7431     8.0633   4.7431       ?       ? 
1 1 1    7    3   52 o     22.7    7.8     4.9803   4.2688     4.9803   4.2688       ?       ? 
1 1 1    7    4    1 o    244.3    2.9   597.1562  13.9921   597.1562  13.9921       ?       ? 
1 1 1    7    4    3 o     93.4    1.4    87.2730   2.6087    87.2730   2.6087       ?       ? 
1 1 1    7    4    5 o    212.7    2.8   452.7288  11.8577   452.7288  11.8577       ?       ? 
1 1 1    7    4    7 o    106.3    1.7   113.1229   3.5573   113.1229   3.5573       ?       ? 
1 1 1    7    4    9 o    285.5    2.6   815.5759  14.9408   815.5759  14.9408       ?       ? 
1 1 1    7    4   11 o    254.4    2.0   647.4330   9.9605   647.4330   9.9605       ?       ? 
1 1 1    7    4   13 o    384.1    2.5  1475.8153  19.4467  1475.8153  19.4467       ?       ? 
1 1 1    7    4   15 o     54.9    2.2    30.1187   2.3715    30.1187   2.3715       ?       ? 
1 1 1    7    4   17 o    381.4    2.3  1455.4200  17.7866  1455.4200  17.7866       ?       ? 
1 1 1    7    4   19 o    391.5    2.2  1533.4440  17.3123  1533.4440  17.3123       ?       ? 
1 1 1    7    4   21 o    170.3    1.4   290.0405   4.7431   290.0405   4.7431       ?       ? 
1 1 1    7    4   23 o    513.6    2.4  2639.2976  24.9013  2639.2976  24.9013       ?       ? 
1 1 1    7    4   25 o     51.5    2.8    26.5614   2.8459    26.5614   2.8459       ?       ? 
1 1 1    7    4   27 f    321.7    1.8  1034.9442  11.8577  1034.9442  11.8577       ?       ? 
1 1 1    7    4   29 o     86.7    1.8    75.1781   3.0830    75.1781   3.0830       ?       ? 
1 1 1    7    4   31 o    273.9    1.6   750.5955   8.5376   750.5955   8.5376       ?       ? 
1 1 1    7    4   33 o    240.1    1.4   576.7609   6.8775   576.7609   6.8775       ?       ? 
1 1 1    7    4   35 o    189.8    1.3   360.2384   4.9803   360.2384   4.9803       ?       ? 
1 1 1    7    4   37 o     35.0    4.7    12.3321   3.3202    12.3321   3.3202       ?       ? 
1 1 1    7    4   39 o    102.9    2.3   106.0083   4.7431   106.0083   4.7431       ?       ? 
1 1 1    7    4   41 f     23.3    7.3     5.4546   3.7945     5.4546   3.7945       ?       ? 
1 1 1    7    4   43 o     73.9    3.0    54.7828   4.5059    54.7828   4.5059       ?       ? 
1 1 1    7    4   45 o     37.8    5.6    14.4665   4.2688    14.4665   4.2688       ?       ? 
1 1 1    7    4   47 o     56.3    4.0    32.0159   4.5059    32.0159   4.5059       ?       ? 
1 1 1    7    4   49 o     27.4    7.6     8.0633   4.2688     8.0633   4.2688       ?       ? 
1 1 1    7    4   51 o    143.3    2.2   205.8505   6.1660   205.8505   6.1660       ?       ? 
1 1 1    7    5    0 o    138.3    3.6   191.8584   9.9605   191.8584   9.9605     0.0     0.0 
1 1 1    7    5    2 f    270.8    3.5   733.9946  19.2096   733.9946  19.2096       ?       ? 
1 1 1    7    5    4 o     81.8    3.2    66.8777   5.2174    66.8777   5.2174       ?       ? 
1 1 1    7    5    6 o    186.1    2.0   346.4834   7.3518   346.4834   7.3518       ?       ? 
1 1 1    7    5    8 o    307.5    2.9   946.0111  17.5495   946.0111  17.5495       ?       ? 
1 1 1    7    5   10 o     10.8    4.9    -1.6601   2.3715    -1.6601   2.3715       ?       ? 
1 1 1    7    5   12 o     21.9    5.4     4.9803   2.3715     4.9803   2.3715       ?       ? 
1 1 1    7    5   14 o    365.0    2.5  1332.5737  18.0238  1332.5737  18.0238       ?       ? 
1 1 1    7    5   16 o    433.4    2.8  1878.7416  24.1898  1878.7416  24.1898       ?       ? 
1 1 1    7    5   18 o     52.7    2.7    27.7471   2.8459    27.7471   2.8459       ?       ? 
1 1 1    7    5   20 o    115.1    1.8   132.5696   4.0316   132.5696   4.0316       ?       ? 
1 1 1    7    5   22 o    137.2    1.4   188.3010   3.7945   188.3010   3.7945       ?       ? 
1 1 1    7    5   24 o    142.1    1.4   201.8189   4.0316   201.8189   4.0316       ?       ? 
1 1 1    7    5   26 o    179.4    1.4   321.8193   4.9803   321.8193   4.9803       ?       ? 
1 1 1    7    5   28 o    144.9    1.4   209.8821   4.0316   209.8821   4.0316       ?       ? 
1 1 1    7    5   30 o    129.6    1.5   167.9057   3.7945   167.9057   3.7945       ?       ? 
1 1 1    7    5   32 o    175.8    1.4   309.0129   4.9803   309.0129   4.9803       ?       ? 
1 1 1    7    5   34 o    108.8    1.9   118.5775   4.0316   118.5775   4.0316       ?       ? 
1 1 1    7    5   36 o    107.2    2.0   115.0202   4.2688   115.0202   4.2688       ?       ? 
1 1 1    7    5   38 o    204.8    1.5   419.7643   6.1660   419.7643   6.1660       ?       ? 
1 1 1    7    5   40 o    278.1    1.5   773.8366   8.5376   773.8366   8.5376       ?       ? 
1 1 1    7    5   42 o    115.4    2.1   133.5182   4.7431   133.5182   4.7431       ?       ? 
1 1 1    7    5   44 o     32.9    6.3    11.3834   4.0316    11.3834   4.0316       ?       ? 
1 1 1    7    5   46 o     81.3    2.8    66.4034   4.5059    66.4034   4.5059       ?       ? 
1 1 1    7    5   48 f    106.2    2.5   113.3601   5.2174   113.3601   5.2174       ?       ? 
1 1 1    7    5   50 o    207.3    1.7   430.4362   7.1146   430.4362   7.1146       ?       ? 
1 1 1    7    6    1 o    214.3    4.8   459.8434  20.3953   459.8434  20.3953       ?       ? 
1 1 1    7    6    3 o    441.3    7.6  1952.9711  67.1149  1952.9711  67.1149       ?       ? 
1 1 1    7    6    5 o    524.1    6.4  2751.7092  66.8777  2751.7092  66.8777       ?       ? 
1 1 1    7    6    7 o    247.1    3.4   610.6740  16.6008   610.6740  16.6008       ?       ? 
1 1 1    7    6    9 o    142.1    1.8   201.8189   5.2174   201.8189   5.2174       ?       ? 
1 1 1    7    6   11 o    244.0    2.2   595.7333  10.9091   595.7333  10.9091       ?       ? 
1 1 1    7    6   13 o    192.2    1.9   369.4874   7.3518   369.4874   7.3518       ?       ? 
1 1 1    7    6   15 o    303.1    2.2   918.9755  13.5178   918.9755  13.5178       ?       ? 
1 1 1    7    6   17 o     94.0    2.1    88.4588   4.0316    88.4588   4.0316       ?       ? 
1 1 1    7    6   19 o    205.7    1.6   423.3216   6.6403   423.3216   6.6403       ?       ? 
1 1 1    7    6   21 o     84.3    2.4    71.1465   4.0316    71.1465   4.0316       ?       ? 
1 1 1    7    6   23 o     45.7    2.9    20.8696   2.6087    20.8696   2.6087       ?       ? 
1 1 1    7    6   25 o     87.2    1.9    76.1267   3.3202    76.1267   3.3202       ?       ? 
1 1 1    7    6   27 o    218.4    1.5   476.9186   6.6403   476.9186   6.6403       ?       ? 
1 1 1    7    6   29 o    132.3    1.5   175.0204   4.0316   175.0204   4.0316       ?       ? 
1 1 1    7    6   31 o    192.5    1.5   370.9103   5.6917   370.9103   5.6917       ?       ? 
1 1 1    7    6   33 o    155.0    1.5   240.2380   4.7431   240.2380   4.7431       ?       ? 
1 1 1    7    6   35 o    101.8    2.1   103.6367   4.2688   103.6367   4.2688       ?       ? 
1 1 1    7    6   37 o    131.3    1.9   172.6488   4.9803   172.6488   4.9803       ?       ? 
1 1 1    7    6   39 o    121.5    1.8   147.7475   4.2688   147.7475   4.2688       ?       ? 
1 1 1    7    6   41 o    110.7    1.9   122.8463   4.2688   122.8463   4.2688       ?       ? 
1 1 1    7    6   43 o     80.2    2.7    64.5061   4.2688    64.5061   4.2688       ?       ? 
1 1 1    7    6   45 o    111.7    2.2   125.2178   4.9803   125.2178   4.9803       ?       ? 
1 1 1    7    6   47 o     52.8    4.0    28.2214   4.2688    28.2214   4.2688       ?       ? 
1 1 1    7    6   49 o     49.1    4.6    24.4270   4.5059    24.4270   4.5059       ?       ? 
1 1 1    7    7    2 o    613.3   10.2  3774.3213 124.5064  3774.3213 124.5064     0.0     0.0 
1 1 1    7    7    4 f    108.4    4.3   118.1032   9.2490   118.1032   9.2490     0.0     0.0 
1 1 1    7    7    6 o    436.2    7.8  1907.4373  67.8263  1907.4373  67.8263     0.0     0.0 
1 1 1    7    7    8 o    251.5    5.0   633.6781  25.3756   633.6781  25.3756     0.0     0.0 
1 1 1    7    7   10 o     10.7    6.8     0.4743   3.0830     0.4743   3.0830     0.0     0.0 
1 1 1    7    7   12 o    274.7    4.1   755.3386  22.7669   755.3386  22.7669     0.0     0.0 
1 1 1    7    7   14 o     25.3    9.2     8.5376   4.2688     8.5376   4.2688     0.0     0.0 
1 1 1    7    7   16 o    227.1    3.1   516.0492  14.2293   516.0492  14.2293     0.0     0.0 
1 1 1    7    7   18 o    291.3    4.3   849.4891  25.1384   849.4891  25.1384     0.0     0.0 
1 1 1    7    7   20 o    277.1    3.2   768.3821  17.5495   768.3821  17.5495     0.0     0.0 
1 1 1    7    7   22 o    157.4    2.0   248.0641   6.4032   248.0641   6.4032     0.0     0.0 
1 1 1    7    7   24 o    131.9    2.1   174.0717   5.4546   174.0717   5.4546     0.0     0.0 
1 1 1    7    7   26 o     16.4    9.1     3.7945   4.2688     3.7945   4.2688     0.0     0.0 
1 1 1    7    7   28 o     10.8    7.4    -2.3715   4.7431    -2.3715   4.7431     0.0     0.0 
1 1 1    7    7   30 o    149.2    2.2   222.9257   6.6403   222.9257   6.6403     0.0     0.0 
1 1 1    7    7   32 o     90.5    3.2    82.2928   5.6917    82.2928   5.6917     0.0     0.0 
1 1 1    7    7   34 o     18.6   10.5     4.7431   5.9289     4.7431   5.9289     0.0     0.0 
1 1 1    7    7   36 o    156.8    2.2   246.1669   6.8775   246.1669   6.8775     0.0     0.0 
1 1 1    7    7   38 o     25.2   11.0     9.2490   5.6917     9.2490   5.6917     0.0     0.0 
1 1 1    7    7   40 o     61.3    5.3    38.6563   6.4032    38.6563   6.4032     0.0     0.0 
1 1 1    7    7   42 o     79.4    4.1    63.7947   6.4032    63.7947   6.4032     0.0     0.0 
1 1 1    7    7   44 o     48.7    6.3    24.4270   6.1660    24.4270   6.1660     0.0     0.0 
1 1 1    7    7   46 f    122.8    2.8   151.5420   6.8775   151.5420   6.8775     0.0     0.0 
1 1 1    7    7   48 o     32.2   11.4    13.9921   6.6403    13.9921   6.6403     0.0     0.0 
1 1 1    8    0    2 o    279.5    5.3   782.6114  29.6444   782.6114  29.6444     0.0     0.0 
1 1 1    8    0    4 o    187.1    4.3   350.7522  16.1265   350.7522  16.1265     0.0     0.0 
1 1 1    8    0    6 o    110.1    3.3   121.6605   7.3518   121.6605   7.3518     0.0     0.0 
1 1 1    8    0    8 o     94.3    4.0    89.4074   7.5890    89.4074   7.5890     0.0     0.0 
1 1 1    8    0   10 o    122.5    1.9   150.1191   4.7431   150.1191   4.7431     0.0     0.0 
1 1 1    8    0   12 o    184.3    2.3   339.8431   8.3004   339.8431   8.3004     0.0     0.0 
1 1 1    8    0   14 o      9.8    6.6    -0.7115   3.3202    -0.7115   3.3202     0.0     0.0 
1 1 1    8    0   16 o    322.7    2.9  1041.5846  18.7352  1041.5846  18.7352     0.0     0.0 
1 1 1    8    0   18 o     62.0    2.5    38.6563   3.0830    38.6563   3.0830     0.0     0.0 
1 1 1    8    0   20 o      9.6    6.5    -1.4229   3.5573    -1.4229   3.5573     0.0     0.0 
1 1 1    8    0   22 f     38.7    5.8    15.6522   4.2688    15.6522   4.2688     0.0     0.0 
1 1 1    8    0   24 o    111.0    2.2   123.3206   4.9803   123.3206   4.9803     0.0     0.0 
1 1 1    8    0   26 o    142.4    2.0   203.0046   5.6917   203.0046   5.6917     0.0     0.0 
1 1 1    8    0   28 o    100.0    2.0   100.0794   4.0316   100.0794   4.0316     0.0     0.0 
1 1 1    8    0   30 o     12.0    7.7     0.4743   4.0316     0.4743   4.0316     0.0     0.0 
1 1 1    8    0   32 o    331.4    2.4  1098.7389  16.1265  1098.7389  16.1265     0.0     0.0 
1 1 1    8    0   34 o    197.4    2.2   390.1199   8.5376   390.1199   8.5376     0.0     0.0 
1 1 1    8    0   36 o    148.5    2.3   220.7913   6.8775   220.7913   6.8775     0.0     0.0 
1 1 1    8    0   38 o     14.4    8.9     1.6601   4.9803     1.6601   4.9803     0.0     0.0 
1 1 1    8    0   40 o     19.9   10.3     5.9289   5.2174     5.9289   5.2174     0.0     0.0 
1 1 1    8    0   42 o     15.1    9.3     1.8972   5.4546     1.8972   5.4546     0.0     0.0 
1 1 1    8    0   44 o    213.3    2.2   455.5747   9.4862   455.5747   9.4862     0.0     0.0 
1 1 1    8    0   46 o     40.9    8.5    18.9724   6.1660    18.9724   6.1660     0.0     0.0 
1 1 1    8    0   48 o      8.5    6.3   -18.9724   7.1146   -18.9724   7.1146     0.0     0.0 
1 1 1    8    0   50 o     13.6    9.5    -7.1146   9.0119    -7.1146   9.0119     0.0     0.0 
1 1 1    8    1    1 o     89.1    2.8    79.4469   4.9803    79.4469   4.9803       ?       ? 
1 1 1    8    1    3 f    412.4    6.6  1706.3300  54.5456  1706.3300  54.5456       ?       ? 
1 1 1    8    1    5 o    175.7    2.4   308.7758   8.5376   308.7758   8.5376       ?       ? 
1 1 1    8    1    7 o    219.9    2.4   483.5590  10.6720   483.5590  10.6720       ?       ? 
1 1 1    8    1    9 o    354.0    3.1  1253.6011  22.2926  1253.6011  22.2926       ?       ? 
1 1 1    8    1   11 o    277.8    2.5   772.1766  13.9921   772.1766  13.9921       ?       ? 
1 1 1    8    1   13 o    304.2    2.3   925.3787  13.7550   925.3787  13.7550       ?       ? 
1 1 1    8    1   15 o    116.4    1.5   135.4155   3.5573   135.4155   3.5573       ?       ? 
1 1 1    8    1   17 o     86.0    1.5    73.9923   2.6087    73.9923   2.6087       ?       ? 
1 1 1    8    1   19 o    171.5    1.2   294.3093   4.2688   294.3093   4.2688       ?       ? 
1 1 1    8    1   21 o    291.8    1.6   851.6235   9.4862   851.6235   9.4862       ?       ? 
1 1 1    8    1   23 f    505.5    2.7  2557.0046  27.2728  2557.0046  27.2728       ?       ? 
1 1 1    8    1   25 o     14.1    6.1    -0.2372   3.0830    -0.2372   3.0830       ?       ? 
1 1 1    8    1   27 o     98.1    1.6    96.2849   3.0830    96.2849   3.0830       ?       ? 
1 1 1    8    1   29 o     82.1    1.7    67.3520   2.8459    67.3520   2.8459       ?       ? 
1 1 1    8    1   31 o    262.4    1.4   688.6980   7.5890   688.6980   7.5890       ?       ? 
1 1 1    8    1   33 o    148.2    1.5   219.8426   4.5059   219.8426   4.5059       ?       ? 
1 1 1    8    1   35 o     18.7    6.6     3.0830   3.0830     3.0830   3.0830       ?       ? 
1 1 1    8    1   37 o    128.8    1.6   166.0085   4.0316   166.0085   4.0316       ?       ? 
1 1 1    8    1   39 o    190.6    1.6   363.5586   5.9289   363.5586   5.9289       ?       ? 
1 1 1    8    1   41 o     96.1    2.2    92.4904   4.2688    92.4904   4.2688       ?       ? 
1 1 1    8    1   43 o     82.4    2.7    68.0635   4.5059    68.0635   4.5059       ?       ? 
1 1 1    8    1   45 o    194.3    1.6   377.7879   6.4032   377.7879   6.4032       ?       ? 
1 1 1    8    1   47 o     75.4    3.0    57.1543   4.5059    57.1543   4.5059       ?       ? 
1 1 1    8    1   49 o     91.5    3.2    84.4272   5.9289    84.4272   5.9289       ?       ? 
1 1 1    8    1   51 o     63.8    3.5    41.0278   4.5059    41.0278   4.5059       ?       ? 
1 1 1    8    2    0 o     47.7    2.8    23.0040   2.6087    23.0040   2.6087     0.0     0.0 
1 1 1    8    2    2 o    189.1    2.4   357.8668   9.2490   357.8668   9.2490       ?       ? 
1 1 1    8    2    4 o    359.4    4.2  1293.2059  30.1187  1293.2059  30.1187       ?       ? 
1 1 1    8    2    6 o    386.8    3.6  1497.6335  27.9843  1497.6335  27.9843       ?       ? 
1 1 1    8    2    8 o     75.3    1.7    56.6800   2.6087    56.6800   2.6087       ?       ? 
1 1 1    8    2   10 o    145.7    1.7   212.2537   4.9803   212.2537   4.9803       ?       ? 
1 1 1    8    2   12 o     11.5    5.1    -0.9486   2.3715    -0.9486   2.3715       ?       ? 
1 1 1    8    2   14 o    321.1    2.2  1031.3870  14.2293  1031.3870  14.2293       ?       ? 
1 1 1    8    2   16 o    200.0    1.4   399.8433   5.6917   399.8433   5.6917       ?       ? 
1 1 1    8    2   18 f    110.8    1.3   122.8463   2.8459   122.8463   2.8459       ?       ? 
1 1 1    8    2   20 o    381.6    2.0  1456.6058  15.4151  1456.6058  15.4151       ?       ? 
1 1 1    8    2   22 o    144.3    1.6   208.2221   4.5059   208.2221   4.5059       ?       ? 
1 1 1    8    2   24 o    258.4    1.6   667.5912   8.3004   667.5912   8.3004       ?       ? 
1 1 1    8    2   26 o     82.6    1.9    68.3006   3.0830    68.3006   3.0830       ?       ? 
1 1 1    8    2   28 o    173.3    1.4   300.2382   4.7431   300.2382   4.7431       ?       ? 
1 1 1    8    2   30 o    142.4    1.4   202.7675   4.0316   202.7675   4.0316       ?       ? 
1 1 1    8    2   32 o    135.1    1.6   182.6093   4.2688   182.6093   4.2688       ?       ? 
1 1 1    8    2   34 o     47.7    3.5    22.7669   3.3202    22.7669   3.3202       ?       ? 
1 1 1    8    2   36 o    171.9    1.4   295.7322   4.9803   295.7322   4.9803       ?       ? 
1 1 1    8    2   38 o    110.5    2.3   122.1348   4.9803   122.1348   4.9803       ?       ? 
1 1 1    8    2   40 f    109.6    1.9   120.2376   4.2688   120.2376   4.2688       ?       ? 
1 1 1    8    2   42 o    119.0    1.9   141.8187   4.5059   141.8187   4.5059       ?       ? 
1 1 1    8    2   44 o     86.3    2.5    74.7038   4.2688    74.7038   4.2688       ?       ? 
1 1 1    8    2   46 o    121.2    2.2   147.2732   5.2174   147.2732   5.2174       ?       ? 
1 1 1    8    2   48 o     14.0    6.5    -3.3202   4.2688    -3.3202   4.2688       ?       ? 
1 1 1    8    2   50 o    116.3    2.1   135.6526   4.9803   135.6526   4.9803       ?       ? 
1 1 1    8    3    1 o    198.7    2.5   395.1002   9.9605   395.1002   9.9605       ?       ? 
1 1 1    8    3    3 o    174.0    2.4   302.8469   8.3004   302.8469   8.3004       ?       ? 
1 1 1    8    3    5 o    163.6    2.3   267.7480   7.5890   267.7480   7.5890       ?       ? 
1 1 1    8    3    7 o    191.7    2.8   367.5902  10.6720   367.5902  10.6720       ?       ? 
1 1 1    8    3    9 o    177.1    1.8   313.5189   6.4032   313.5189   6.4032       ?       ? 
1 1 1    8    3   11 o    404.9    2.8  1640.4009  22.2926  1640.4009  22.2926       ?       ? 
1 1 1    8    3   13 o     53.8    2.0    28.9329   2.1344    28.9329   2.1344       ?       ? 
1 1 1    8    3   15 o    211.9    1.7   449.1715   7.3518   449.1715   7.3518       ?       ? 
1 1 1    8    3   17 o    224.8    1.7   505.3772   7.5890   505.3772   7.5890       ?       ? 
1 1 1    8    3   19 o    273.5    1.8   748.2239   9.9605   748.2239   9.9605       ?       ? 
1 1 1    8    3   21 o    258.2    1.5   666.8798   7.5890   666.8798   7.5890       ?       ? 
1 1 1    8    3   23 f    169.6    1.5   287.6690   4.9803   287.6690   4.9803       ?       ? 
1 1 1    8    3   25 o    305.5    1.7   933.4420  10.6720   933.4420  10.6720       ?       ? 
1 1 1    8    3   27 o    136.6    1.5   186.6409   4.0316   186.6409   4.0316       ?       ? 
1 1 1    8    3   29 o    110.9    1.5   123.0834   3.3202   123.0834   3.3202       ?       ? 
1 1 1    8    3   31 o     77.3    2.0    59.7631   3.0830    59.7631   3.0830       ?       ? 
1 1 1    8    3   33 o     46.1    3.3    21.3439   3.0830    21.3439   3.0830       ?       ? 
1 1 1    8    3   35 o     72.5    2.5    52.6484   3.5573    52.6484   3.5573       ?       ? 
1 1 1    8    3   37 f    183.2    1.4   335.8114   5.2174   335.8114   5.2174       ?       ? 
1 1 1    8    3   39 o    146.6    1.5   215.0995   4.5059   215.0995   4.5059       ?       ? 
1 1 1    8    3   41 o     78.0    2.6    60.9488   4.0316    60.9488   4.0316       ?       ? 
1 1 1    8    3   43 o    124.1    1.9   154.1507   4.7431   154.1507   4.7431       ?       ? 
1 1 1    8    3   45 o     36.5    5.8    13.5178   4.2688    13.5178   4.2688       ?       ? 
1 1 1    8    3   47 o     97.3    2.4    95.0991   4.7431    95.0991   4.7431       ?       ? 
1 1 1    8    3   49 o     70.0    3.2    49.3282   4.5059    49.3282   4.5059       ?       ? 
1 1 1    8    4    0 o    116.5    2.4   135.8898   5.6917   135.8898   5.6917     0.0     0.0 
1 1 1    8    4    2 o    163.3    2.3   266.7993   7.3518   266.7993   7.3518       ?       ? 
1 1 1    8    4    4 o     23.4    6.0     5.6917   2.8459     5.6917   2.8459       ?       ? 
1 1 1    8    4    6 o    491.0    5.5  2414.7119  54.3085  2414.7119  54.3085       ?       ? 
1 1 1    8    4    8 o     83.1    2.9    69.0121   4.7431    69.0121   4.7431       ?       ? 
1 1 1    8    4   10 o    413.9    3.4  1714.1560  28.4586  1714.1560  28.4586       ?       ? 
1 1 1    8    4   12 o    244.3    1.9   596.9190   9.2490   596.9190   9.2490       ?       ? 
1 1 1    8    4   14 o    106.2    1.5   112.8858   3.0830   112.8858   3.0830       ?       ? 
1 1 1    8    4   16 o    234.1    1.9   548.0651   8.7747   548.0651   8.7747       ?       ? 
1 1 1    8    4   18 o    285.9    2.6   817.7103  14.7036   817.7103  14.7036       ?       ? 
1 1 1    8    4   20 o    227.9    1.6   519.6065   7.1146   519.6065   7.1146       ?       ? 
1 1 1    8    4   22 o    117.5    1.8   138.0242   4.2688   138.0242   4.2688       ?       ? 
1 1 1    8    4   24 o    306.5    1.7   939.3708  10.6720   939.3708  10.6720       ?       ? 
1 1 1    8    4   26 o    119.6    1.5   143.0044   3.5573   143.0044   3.5573       ?       ? 
1 1 1    8    4   28 o    136.7    1.4   186.8781   3.7945   186.8781   3.7945       ?       ? 
1 1 1    8    4   30 o    231.1    1.6   534.3101   7.3518   534.3101   7.3518       ?       ? 
1 1 1    8    4   32 o    122.0    1.7   148.9333   4.0316   148.9333   4.0316       ?       ? 
1 1 1    8    4   34 o     46.6    3.6    21.8183   3.3202    21.8183   3.3202       ?       ? 
1 1 1    8    4   36 o    242.5    1.6   588.3815   7.5890   588.3815   7.5890       ?       ? 
1 1 1    8    4   38 o     44.5    4.0    19.9210   3.5573    19.9210   3.5573       ?       ? 
1 1 1    8    4   40 o    202.2    1.5   409.0923   6.1660   409.0923   6.1660       ?       ? 
1 1 1    8    4   42 o    179.5    1.7   322.5307   5.9289   322.5307   5.9289       ?       ? 
1 1 1    8    4   44 o     57.5    3.7    33.2017   4.2688    33.2017   4.2688       ?       ? 
1 1 1    8    4   46 o     56.3    4.0    32.0159   4.5059    32.0159   4.5059       ?       ? 
1 1 1    8    4   48 o     59.3    3.8    35.5732   4.5059    35.5732   4.5059       ?       ? 
1 1 1    8    4   50 o    126.7    2.2   161.0282   5.6917   161.0282   5.6917       ?       ? 
1 1 1    8    5    1 o    191.9    2.5   368.5388   9.4862   368.5388   9.4862       ?       ? 
1 1 1    8    5    3 o    525.3    5.8  2764.2781  61.1860  2764.2781  61.1860       ?       ? 
1 1 1    8    5    5 o    280.8    2.8   788.5402  15.6522   788.5402  15.6522       ?       ? 
1 1 1    8    5    7 o    279.8    2.6   783.3228  14.4665   783.3228  14.4665       ?       ? 
1 1 1    8    5    9 o    237.6    2.3   564.9031  10.9091   564.9031  10.9091       ?       ? 
1 1 1    8    5   11 o    146.9    1.9   215.8110   5.6917   215.8110   5.6917       ?       ? 
1 1 1    8    5   13 o    255.2    2.1   651.4647  10.6720   651.4647  10.6720       ?       ? 
1 1 1    8    5   15 o    145.7    2.0   212.4908   5.9289   212.4908   5.9289       ?       ? 
1 1 1    8    5   17 o    214.5    1.8   460.0806   7.8261   460.0806   7.8261       ?       ? 
1 1 1    8    5   19 o    132.4    1.7   175.2575   4.5059   175.2575   4.5059       ?       ? 
1 1 1    8    5   21 o     35.4    4.4    12.5692   3.0830    12.5692   3.0830       ?       ? 
1 1 1    8    5   23 o    150.5    1.6   226.4830   4.7431   226.4830   4.7431       ?       ? 
1 1 1    8    5   25 o    247.1    1.7   610.6740   8.5376   610.6740   8.5376       ?       ? 
1 1 1    8    5   27 o    117.7    1.6   138.4985   3.7945   138.4985   3.7945       ?       ? 
1 1 1    8    5   29 o     77.6    2.1    60.2374   3.3202    60.2374   3.3202       ?       ? 
1 1 1    8    5   31 o    168.9    1.5   285.2974   4.9803   285.2974   4.9803       ?       ? 
1 1 1    8    5   33 o    217.2    1.5   472.1755   6.6403   472.1755   6.6403       ?       ? 
1 1 1    8    5   35 o     67.8    3.0    46.0081   4.0316    46.0081   4.0316       ?       ? 
1 1 1    8    5   37 o     59.5    3.2    35.5732   3.7945    35.5732   3.7945       ?       ? 
1 1 1    8    5   39 o     52.5    3.8    27.7471   4.0316    27.7471   4.0316       ?       ? 
1 1 1    8    5   41 o     64.1    3.0    41.2650   3.7945    41.2650   3.7945       ?       ? 
1 1 1    8    5   43 o     70.9    3.0    50.5140   4.2688    50.5140   4.2688       ?       ? 
1 1 1    8    5   45 o     89.6    2.6    80.6327   4.7431    80.6327   4.7431       ?       ? 
1 1 1    8    5   47 o     32.9    7.1    11.6206   4.5059    11.6206   4.5059       ?       ? 
1 1 1    8    5   49 o     59.8    4.0    36.0476   4.7431    36.0476   4.7431       ?       ? 
1 1 1    8    6    0 o    696.5   11.0  4871.1631 152.9650  4871.1631 152.9650     0.0     0.0 
1 1 1    8    6    2 o    128.2    2.4   164.3484   6.1660   164.3484   6.1660       ?       ? 
1 1 1    8    6    4 o    290.1    5.4   843.0859  31.3045   843.0859  31.3045       ?       ? 
1 1 1    8    6    6 o    330.5    4.5  1093.7587  29.6444  1093.7587  29.6444       ?       ? 
1 1 1    8    6    8 o    185.5    2.2   344.3490   8.3004   344.3490   8.3004       ?       ? 
1 1 1    8    6   10 o     32.1    6.1    10.6720   3.7945    10.6720   3.7945       ?       ? 
1 1 1    8    6   12 o    244.9    2.9   600.0021  14.2293   600.0021  14.2293       ?       ? 
1 1 1    8    6   14 o    135.4    1.9   183.3208   5.2174   183.3208   5.2174       ?       ? 
1 1 1    8    6   16 o    247.8    2.2   614.4685  10.6720   614.4685  10.6720       ?       ? 
1 1 1    8    6   18 o    183.5    1.9   336.7600   6.8775   336.7600   6.8775       ?       ? 
1 1 1    8    6   20 o    133.6    1.5   178.5777   4.0316   178.5777   4.0316       ?       ? 
1 1 1    8    6   22 o    327.5    1.9  1073.1262  12.5692  1073.1262  12.5692       ?       ? 
1 1 1    8    6   24 o    115.5    1.6   133.5182   3.7945   133.5182   3.7945       ?       ? 
1 1 1    8    6   26 o    114.4    1.8   130.9095   4.0316   130.9095   4.0316       ?       ? 
1 1 1    8    6   28 o    187.9    1.5   353.1237   5.6917   353.1237   5.6917       ?       ? 
1 1 1    8    6   30 o    112.8    1.8   127.3522   4.0316   127.3522   4.0316       ?       ? 
1 1 1    8    6   32 o     68.8    2.6    47.4310   3.5573    47.4310   3.5573       ?       ? 
1 1 1    8    6   34 o    111.5    2.1   124.5064   4.7431   124.5064   4.7431       ?       ? 
1 1 1    8    6   36 o     89.3    2.3    79.9212   4.0316    79.9212   4.0316       ?       ? 
1 1 1    8    6   38 o    127.8    1.8   163.3998   4.5059   163.3998   4.5059       ?       ? 
1 1 1    8    6   40 o     50.2    4.5    25.3756   4.5059    25.3756   4.5059       ?       ? 
1 1 1    8    6   42 o     68.9    3.3    47.6681   4.5059    47.6681   4.5059       ?       ? 
1 1 1    8    6   44 o     58.1    3.9    34.1503   4.5059    34.1503   4.5059       ?       ? 
1 1 1    8    6   46 o     87.6    2.6    77.0754   4.5059    77.0754   4.5059       ?       ? 
1 1 1    8    7    1 o    180.2    3.2   324.9023  11.3834   324.9023  11.3834       ?       ? 
1 1 1    8    7    3 o     89.9    3.0    80.8698   5.4546    80.8698   5.4546       ?       ? 
1 1 1    8    7    5 o    428.2    5.5  1837.2395  47.1938  1837.2395  47.1938       ?       ? 
1 1 1    8    7    7 o    158.1    3.0   249.9613   9.4862   249.9613   9.4862       ?       ? 
1 1 1    8    7    9 o    462.9    4.5  2145.7781  41.2650  2145.7781  41.2650       ?       ? 
1 1 1    8    7   11 o    173.7    2.0   301.6611   7.1146   301.6611   7.1146       ?       ? 
1 1 1    8    7   13 o     35.4    4.0    12.5692   2.8459    12.5692   2.8459       ?       ? 
1 1 1    8    7   15 o    244.1    2.2   595.9704  10.9091   595.9704  10.9091       ?       ? 
1 1 1    8    7   17 o    242.9    2.4   590.2787  11.6206   590.2787  11.6206       ?       ? 
1 1 1    8    7   19 o     66.6    2.7    44.3480   3.5573    44.3480   3.5573       ?       ? 
1 1 1    8    7   21 o    372.7    2.4  1390.2024  18.0238  1390.2024  18.0238       ?       ? 
1 1 1    8    7   23 o    262.1    1.8   687.5122   9.4862   687.5122   9.4862       ?       ? 
1 1 1    8    7   25 f    189.9    1.7   360.7127   6.4032   360.7127   6.4032       ?       ? 
1 1 1    8    7   27 o    127.5    1.6   162.6883   4.0316   162.6883   4.0316       ?       ? 
1 1 1    8    7   29 o    122.7    1.6   150.5934   4.0316   150.5934   4.0316       ?       ? 
1 1 1    8    7   31 o    184.1    1.5   338.8944   5.6917   338.8944   5.6917       ?       ? 
1 1 1    8    7   33 o    112.3    2.0   126.1664   4.5059   126.1664   4.5059       ?       ? 
1 1 1    8    7   35 o     72.5    2.8    52.6484   4.0316    52.6484   4.0316       ?       ? 
1 1 1    8    7   37 o    162.2    1.7   263.2420   5.4546   263.2420   5.4546       ?       ? 
1 1 1    8    7   39 o     22.9    7.8     4.9803   4.2688     4.9803   4.2688       ?       ? 
1 1 1    8    7   41 o     70.9    3.0    50.5140   4.2688    50.5140   4.2688       ?       ? 
1 1 1    8    7   43 o     35.9    6.8    13.7550   4.7431    13.7550   4.7431       ?       ? 
1 1 1    8    7   45 o     28.5    7.7     8.7747   4.5059     8.7747   4.5059       ?       ? 
1 1 1    8    8    2 o     52.1    6.1    28.2214   6.1660    28.2214   6.1660     0.0     0.0 
1 1 1    8    8    4 o    272.9    5.5   746.3267  30.1187   746.3267  30.1187     0.0     0.0 
1 1 1    8    8    6 o    174.2    4.1   304.2698  14.2293   304.2698  14.2293     0.0     0.0 
1 1 1    8    8    8 o    196.0    5.2   385.3768  20.1582   385.3768  20.1582     0.0     0.0 
1 1 1    8    8   10 o    209.2    3.4   438.0252  14.2293   438.0252  14.2293     0.0     0.0 
1 1 1    8    8   12 o    101.9    3.0   104.1110   6.1660   104.1110   6.1660     0.0     0.0 
1 1 1    8    8   14 o    156.2    3.3   244.2696  10.1977   244.2696  10.1977     0.0     0.0 
1 1 1    8    8   16 o    376.7    4.4  1421.0326  32.9645  1421.0326  32.9645     0.0     0.0 
1 1 1    8    8   18 o    161.9    2.5   262.2934   8.0633   262.2934   8.0633     0.0     0.0 
1 1 1    8    8   20 o     88.5    3.1    78.7355   5.4546    78.7355   5.4546     0.0     0.0 
1 1 1    8    8   22 o     96.4    3.3    93.4391   6.4032    93.4391   6.4032     0.0     0.0 
1 1 1    8    8   24 o     13.1    8.3     0.9486   4.5059     0.9486   4.5059     0.0     0.0 
1 1 1    8    8   26 o     57.3    3.5    33.2017   4.0316    33.2017   4.0316     0.0     0.0 
1 1 1    8    8   28 o      9.0    6.4    -5.9289   4.7431    -5.9289   4.7431     0.0     0.0 
1 1 1    8    8   30 o    146.0    2.4   213.4395   6.8775   213.4395   6.8775     0.0     0.0 
1 1 1    8    8   32 o     38.7    8.4    17.0752   5.6917    17.0752   5.6917     0.0     0.0 
1 1 1    8    8   34 o     85.6    3.5    73.7552   5.9289    73.7552   5.9289     0.0     0.0 
1 1 1    8    8   36 o     18.2   10.4     4.5059   5.9289     4.5059   5.9289     0.0     0.0 
1 1 1    8    8   38 o     37.3    9.2    16.3637   5.9289    16.3637   5.9289     0.0     0.0 
1 1 1    8    8   40 o     82.2    3.8    68.3006   6.1660    68.3006   6.1660     0.0     0.0 
1 1 1    8    8   42 o     55.0    6.2    31.7788   6.6403    31.7788   6.6403     0.0     0.0 
1 1 1    8    8   44 o     52.8    6.2    29.4072   6.4032    29.4072   6.4032     0.0     0.0 
1 1 1    9    0    3 o    444.3    7.2  1978.1095  64.0318  1978.1095  64.0318     0.0     0.0 
1 1 1    9    0    5 o    381.7    6.4  1459.4517  48.8539  1459.4517  48.8539     0.0     0.0 
1 1 1    9    0    7 o    142.7    3.9   204.1904  11.1463   204.1904  11.1463     0.0     0.0 
1 1 1    9    0    9 o    673.2   10.6  4547.2095 142.5301  4547.2095 142.5301     0.0     0.0 
1 1 1    9    0   11 o    184.9    2.4   341.9774   8.7747   341.9774   8.7747     0.0     0.0 
1 1 1    9    0   13 o    243.9    2.8   595.0218  13.5178   595.0218  13.5178     0.0     0.0 
1 1 1    9    0   15 o    316.3    3.2  1001.0311  20.1582  1001.0311  20.1582     0.0     0.0 
1 1 1    9    0   17 o     44.6    4.1    20.3953   3.5573    20.3953   3.5573     0.0     0.0 
1 1 1    9    0   19 o    229.2    2.2   525.5354  10.1977   525.5354  10.1977     0.0     0.0 
1 1 1    9    0   21 o    408.3    3.2  1667.6737  25.8499  1667.6737  25.8499     0.0     0.0 
1 1 1    9    0   23 o     96.6    2.2    93.4391   4.2688    93.4391   4.2688     0.0     0.0 
1 1 1    9    0   25 o     11.1    7.5    -1.4229   4.5059    -1.4229   4.5059     0.0     0.0 
1 1 1    9    0   27 o     30.5    7.6    10.9091   4.0316    10.9091   4.0316     0.0     0.0 
1 1 1    9    0   29 o     41.8    5.4    17.7866   4.5059    17.7866   4.5059     0.0     0.0 
1 1 1    9    0   31 o     17.6    9.4     4.5059   4.5059     4.5059   4.5059     0.0     0.0 
1 1 1    9    0   33 o     85.2    2.8    72.8066   4.7431    72.8066   4.7431     0.0     0.0 
1 1 1    9    0   35 o      8.1    5.9    -9.4862   4.9803    -9.4862   4.9803     0.0     0.0 
1 1 1    9    0   37 o    156.1    2.1   243.7953   6.6403   243.7953   6.6403     0.0     0.0 
1 1 1    9    0   39 o     20.6   10.4     6.4032   5.2174     6.4032   5.2174     0.0     0.0 
1 1 1    9    0   41 o     11.9    8.0    -1.6601   5.2174    -1.6601   5.2174     0.0     0.0 
1 1 1    9    0   43 o    207.8    2.3   432.3335   9.4862   432.3335   9.4862     0.0     0.0 
1 1 1    9    0   45 o    124.3    3.2   155.0993   7.8261   155.0993   7.8261     0.0     0.0 
1 1 1    9    0   47 o    133.8    4.0   180.4749  10.6720   180.4749  10.6720     0.0     0.0 
1 1 1    9    0   49 o    199.7    2.5   399.8433   9.9605   399.8433   9.9605     0.0     0.0 
1 1 1    9    1    0 o     35.3    5.8    13.2807   3.7945    13.2807   3.7945     0.0     0.0 
1 1 1    9    1    2 f    164.4    3.7   270.5938  12.3321   270.5938  12.3321       ?       ? 
1 1 1    9    1    4 o    211.9    3.2   449.1715  13.5178   449.1715  13.5178       ?       ? 
1 1 1    9    1    6 o     62.9    3.0    39.6049   3.7945    39.6049   3.7945       ?       ? 
1 1 1    9    1    8 o    224.3    2.2   503.2428   9.7234   503.2428   9.7234       ?       ? 
1 1 1    9    1   10 o    296.7    2.6   880.3192  15.4151   880.3192  15.4151       ?       ? 
1 1 1    9    1   12 o    254.1    2.3   646.0101  11.8577   646.0101  11.8577       ?       ? 
1 1 1    9    1   14 o    248.7    2.0   618.5001   9.9605   618.5001   9.9605       ?       ? 
1 1 1    9    1   16 o    160.2    1.6   256.6017   4.9803   256.6017   4.9803       ?       ? 
1 1 1    9    1   18 o    207.7    1.5   431.3849   6.4032   431.3849   6.4032       ?       ? 
1 1 1    9    1   20 o    361.6    2.0  1307.9095  14.4665  1307.9095  14.4665       ?       ? 
1 1 1    9    1   22 o    260.8    1.7   680.3976   8.7747   680.3976   8.7747       ?       ? 
1 1 1    9    1   24 o    270.9    1.6   733.9946   8.7747   733.9946   8.7747       ?       ? 
1 1 1    9    1   26 o    172.8    1.5   298.5781   5.2174   298.5781   5.2174       ?       ? 
1 1 1    9    1   28 o     53.5    3.1    28.6958   3.3202    28.6958   3.3202       ?       ? 
1 1 1    9    1   30 o    115.5    1.7   133.5182   4.0316   133.5182   4.0316       ?       ? 
1 1 1    9    1   32 o    122.2    1.6   149.4076   3.7945   149.4076   3.7945       ?       ? 
1 1 1    9    1   34 o    116.0    1.6   134.7040   3.7945   134.7040   3.7945       ?       ? 
1 1 1    9    1   36 f     91.2    2.2    83.2414   4.0316    83.2414   4.0316       ?       ? 
1 1 1    9    1   38 o     22.9    7.3     5.2174   3.7945     5.2174   3.7945       ?       ? 
1 1 1    9    1   40 o     45.8    4.1    21.1068   3.7945    21.1068   3.7945       ?       ? 
1 1 1    9    1   42 o    131.0    1.8   171.9373   4.7431   171.9373   4.7431       ?       ? 
1 1 1    9    1   44 o     37.5    5.7    14.2293   4.2688    14.2293   4.2688       ?       ? 
1 1 1    9    1   46 o    147.6    2.1   218.6569   6.1660   218.6569   6.1660       ?       ? 
1 1 1    9    1   48 o     14.6    6.9    -5.4546   5.2174    -5.4546   5.2174       ?       ? 
1 1 1    9    2    1 o    236.7    3.0   560.6343  13.9921   560.6343  13.9921       ?       ? 
1 1 1    9    2    3 o    282.8    3.4   800.3980  19.4467   800.3980  19.4467       ?       ? 
1 1 1    9    2    5 o    214.6    3.0   460.7921  12.8064   460.7921  12.8064       ?       ? 
1 1 1    9    2    7 o    159.6    1.7   254.7044   5.4546   254.7044   5.4546       ?       ? 
1 1 1    9    2    9 o    450.8    3.7  2033.1294  32.9645  2033.1294  32.9645       ?       ? 
1 1 1    9    2   11 o    271.9    2.4   739.6863  13.2807   739.6863  13.2807       ?       ? 
1 1 1    9    2   13 o    108.2    1.9   117.1546   4.0316   117.1546   4.0316       ?       ? 
1 1 1    9    2   15 o    156.3    1.8   244.2696   5.6917   244.2696   5.6917       ?       ? 
1 1 1    9    2   17 o    110.4    1.8   121.8977   4.0316   121.8977   4.0316       ?       ? 
1 1 1    9    2   19 o    179.6    1.6   322.7679   5.6917   322.7679   5.6917       ?       ? 
1 1 1    9    2   21 o    276.9    1.7   766.9591   9.4862   766.9591   9.4862       ?       ? 
1 1 1    9    2   23 o     81.5    1.7    66.4034   2.8459    66.4034   2.8459       ?       ? 
1 1 1    9    2   25 o    277.2    1.7   768.8564   9.2490   768.8564   9.2490       ?       ? 
1 1 1    9    2   27 o    161.9    1.5   262.2934   4.9803   262.2934   4.9803       ?       ? 
1 1 1    9    2   29 o    106.1    1.7   112.6486   3.5573   112.6486   3.5573       ?       ? 
1 1 1    9    2   31 o     74.9    2.2    56.2057   3.3202    56.2057   3.3202       ?       ? 
1 1 1    9    2   33 o    290.9    1.6   846.6432   9.2490   846.6432   9.2490       ?       ? 
1 1 1    9    2   35 o     53.3    3.3    28.4586   3.5573    28.4586   3.5573       ?       ? 
1 1 1    9    2   37 o    132.2    1.7   174.7832   4.5059   174.7832   4.5059       ?       ? 
1 1 1    9    2   39 o    110.8    2.0   122.8463   4.5059   122.8463   4.5059       ?       ? 
1 1 1    9    2   41 o     70.8    2.8    50.2769   4.0316    50.2769   4.0316       ?       ? 
1 1 1    9    2   43 o     78.7    2.9    62.1346   4.5059    62.1346   4.5059       ?       ? 
1 1 1    9    2   45 o     63.1    3.4    40.0792   4.2688    40.0792   4.2688       ?       ? 
1 1 1    9    2   47 o     50.3    5.2    25.8499   5.2174    25.8499   5.2174       ?       ? 
1 1 1    9    2   49 o    121.4    2.2   147.7475   5.4546   147.7475   5.4546       ?       ? 
1 1 1    9    3    0 o    169.8    2.9   288.6176   9.7234   288.6176   9.7234     0.0     0.0 
1 1 1    9    3    2 o    374.7    6.0  1406.3289  45.0594  1406.3289  45.0594       ?       ? 
1 1 1    9    3    4 o    231.0    3.1   534.0729  14.2293   534.0729  14.2293       ?       ? 
1 1 1    9    3    6 o    420.6    4.7  1771.3104  39.8420  1771.3104  39.8420       ?       ? 
1 1 1    9    3    8 o    140.9    2.4   198.4987   6.6403   198.4987   6.6403       ?       ? 
1 1 1    9    3   10 o    120.5    1.7   145.1388   4.0316   145.1388   4.0316       ?       ? 
1 1 1    9    3   12 o    128.3    1.7   164.5855   4.2688   164.5855   4.2688       ?       ? 
1 1 1    9    3   14 o    344.5    3.1  1187.6720  21.3439  1187.6720  21.3439       ?       ? 
1 1 1    9    3   16 o    234.2    2.0   548.5394   9.2490   548.5394   9.2490       ?       ? 
1 1 1    9    3   18 o    134.0    1.9   179.5263   4.9803   179.5263   4.9803       ?       ? 
1 1 1    9    3   20 o    269.4    2.0   726.1685  10.9091   726.1685  10.9091       ?       ? 
1 1 1    9    3   22 o     84.8    1.8    71.8579   3.0830    71.8579   3.0830       ?       ? 
1 1 1    9    3   24 o    313.9    1.8   985.6160  11.1463   985.6160  11.1463       ?       ? 
1 1 1    9    3   26 o    159.9    1.4   255.8902   4.5059   255.8902   4.5059       ?       ? 
1 1 1    9    3   28 o     52.6    3.2    27.7471   3.3202    27.7471   3.3202       ?       ? 
1 1 1    9    3   30 o    137.4    1.6   188.7753   4.5059   188.7753   4.5059       ?       ? 
1 1 1    9    3   32 o     57.8    2.7    33.4389   3.0830    33.4389   3.0830       ?       ? 
1 1 1    9    3   34 o     38.9    4.9    15.1779   3.7945    15.1779   3.7945       ?       ? 
1 1 1    9    3   36 o    111.5    1.9   124.5064   4.2688   124.5064   4.2688       ?       ? 
1 1 1    9    3   38 o     67.6    2.8    45.7709   3.7945    45.7709   3.7945       ?       ? 
1 1 1    9    3   40 o     17.5    7.5    -0.2372   4.7431    -0.2372   4.7431       ?       ? 
1 1 1    9    3   42 o    176.1    1.6   310.4358   5.6917   310.4358   5.6917       ?       ? 
1 1 1    9    3   44 f     47.5    4.2    22.7669   4.0316    22.7669   4.0316       ?       ? 
1 1 1    9    3   46 o    108.1    2.5   117.3917   5.4546   117.3917   5.4546       ?       ? 
1 1 1    9    3   48 o     46.1    4.6    21.5811   4.2688    21.5811   4.2688       ?       ? 
1 1 1    9    4    1 o    213.8    2.7   457.2348  11.6206   457.2348  11.6206       ?       ? 
1 1 1    9    4    3 o    150.6    2.4   226.7201   7.1146   226.7201   7.1146       ?       ? 
1 1 1    9    4    5 o    282.5    3.4   798.5008  19.4467   798.5008  19.4467       ?       ? 
1 1 1    9    4    7 o    444.4    5.0  1977.3981  44.8223  1977.3981  44.8223       ?       ? 
1 1 1    9    4    9 o    347.9    4.2  1211.3875  28.9329  1211.3875  28.9329       ?       ? 
1 1 1    9    4   11 o    206.0    1.7   424.2702   7.1146   424.2702   7.1146       ?       ? 
1 1 1    9    4   13 o    127.2    1.5   161.7397   3.7945   161.7397   3.7945       ?       ? 
1 1 1    9    4   15 o     62.7    2.6    39.3677   3.3202    39.3677   3.3202       ?       ? 
1 1 1    9    4   17 o     12.8    5.7    -0.9486   2.8459    -0.9486   2.8459       ?       ? 
1 1 1    9    4   19 o     59.8    2.4    35.8104   2.8459    35.8104   2.8459       ?       ? 
1 1 1    9    4   21 o    292.4    1.9   855.4180  11.1463   855.4180  11.1463       ?       ? 
1 1 1    9    4   23 o    288.1    1.9   830.2795  10.6720   830.2795  10.6720       ?       ? 
1 1 1    9    4   25 o     26.1    6.0     7.1146   3.0830     7.1146   3.0830       ?       ? 
1 1 1    9    4   27 o    304.7    1.7   928.6989  10.4348   928.6989  10.4348       ?       ? 
1 1 1    9    4   29 o     53.5    3.1    28.6958   3.3202    28.6958   3.3202       ?       ? 
1 1 1    9    4   31 o    156.1    1.6   243.7953   4.9803   243.7953   4.9803       ?       ? 
1 1 1    9    4   33 o    119.1    1.8   141.8187   4.2688   141.8187   4.2688       ?       ? 
1 1 1    9    4   35 o    139.5    1.8   194.7042   4.9803   194.7042   4.9803       ?       ? 
1 1 1    9    4   37 o    149.7    1.7   224.3486   5.2174   224.3486   5.2174       ?       ? 
1 1 1    9    4   39 o    128.3    1.9   164.8227   4.9803   164.8227   4.9803       ?       ? 
1 1 1    9    4   41 o     88.1    2.4    77.7868   4.2688    77.7868   4.2688       ?       ? 
1 1 1    9    4   43 o    121.5    1.9   147.9847   4.5059   147.9847   4.5059       ?       ? 
1 1 1    9    4   45 o    119.6    2.3   143.7159   5.4546   143.7159   5.4546       ?       ? 
1 1 1    9    4   47 o     67.4    3.2    45.7709   4.2688    45.7709   4.2688       ?       ? 
1 1 1    9    5    0 o     86.3    2.6    74.7038   4.5059    74.7038   4.5059     0.0     0.0 
1 1 1    9    5    2 o     63.9    1.7    40.7907   2.1344    40.7907   2.1344       ?       ? 
1 1 1    9    5    4 o    467.4    5.3  2188.4661  49.3282  2188.4661  49.3282       ?       ? 
1 1 1    9    5    6 o    290.1    3.6   842.3745  20.8696   842.3745  20.8696       ?       ? 
1 1 1    9    5    8 o    134.0    2.7   179.5263   7.1146   179.5263   7.1146       ?       ? 
1 1 1    9    5   10 o     91.2    1.9    83.2414   3.5573    83.2414   3.5573       ?       ? 
1 1 1    9    5   12 o    190.6    2.1   363.5586   8.0633   363.5586   8.0633       ?       ? 
1 1 1    9    5   14 o    334.1    2.9  1116.7627  19.6839  1116.7627  19.6839       ?       ? 
1 1 1    9    5   16 o     81.0    2.3    65.6919   3.7945    65.6919   3.7945       ?       ? 
1 1 1    9    5   18 o    287.3    2.1   825.7736  12.0949   825.7736  12.0949       ?       ? 
1 1 1    9    5   20 o     51.5    2.8    26.5614   2.8459    26.5614   2.8459       ?       ? 
1 1 1    9    5   22 o    220.6    1.8   486.6420   8.0633   486.6420   8.0633       ?       ? 
1 1 1    9    5   24 o     53.8    2.9    28.9329   3.0830    28.9329   3.0830       ?       ? 
1 1 1    9    5   26 o     34.7    4.8    12.0949   3.3202    12.0949   3.3202       ?       ? 
1 1 1    9    5   28 o    310.7    1.8   966.1693  11.1463   966.1693  11.1463       ?       ? 
1 1 1    9    5   30 o     80.0    2.2    64.0318   3.5573    64.0318   3.5573       ?       ? 
1 1 1    9    5   32 o    160.2    1.6   256.8388   4.9803   256.8388   4.9803       ?       ? 
1 1 1    9    5   34 f    104.4    2.0   109.0913   4.2688   109.0913   4.2688       ?       ? 
1 1 1    9    5   36 o     69.1    3.1    47.9053   4.2688    47.9053   4.2688       ?       ? 
1 1 1    9    5   38 f    119.3    2.0   142.5301   4.7431   142.5301   4.7431       ?       ? 
1 1 1    9    5   40 o    118.9    2.1   141.5815   4.9803   141.5815   4.9803       ?       ? 
1 1 1    9    5   42 o     80.2    2.8    64.5061   4.5059    64.5061   4.5059       ?       ? 
1 1 1    9    5   44 o     38.8    5.8    15.4151   4.5059    15.4151   4.5059       ?       ? 
1 1 1    9    5   46 o     66.0    3.4    43.8737   4.5059    43.8737   4.5059       ?       ? 
1 1 1    9    6    1 o     53.6    2.9    28.6958   3.0830    28.6958   3.0830       ?       ? 
1 1 1    9    6    3 o    319.3    3.9  1020.9521  24.9013  1020.9521  24.9013       ?       ? 
1 1 1    9    6    5 o     86.3    1.6    74.4667   2.8459    74.4667   2.8459       ?       ? 
1 1 1    9    6    7 o     12.3    5.6    -2.1344   3.0830    -2.1344   3.0830       ?       ? 
1 1 1    9    6    9 o    151.2    1.9   228.6174   5.6917   228.6174   5.6917       ?       ? 
1 1 1    9    6   11 o     97.9    2.8    95.8106   5.4546    95.8106   5.4546       ?       ? 
1 1 1    9    6   13 o    252.8    3.0   639.3698  14.9408   639.3698  14.9408       ?       ? 
1 1 1    9    6   15 o    331.5    2.8  1099.6876  18.7352  1099.6876  18.7352       ?       ? 
1 1 1    9    6   17 o    233.0    2.0   543.0848   9.4862   543.0848   9.4862       ?       ? 
1 1 1    9    6   19 o    266.5    2.1   710.2791  11.1463   710.2791  11.1463       ?       ? 
1 1 1    9    6   21 o    290.2    1.7   842.3745   9.9605   842.3745   9.9605       ?       ? 
1 1 1    9    6   23 o    104.9    1.7   110.0399   3.5573   110.0399   3.5573       ?       ? 
1 1 1    9    6   25 o     18.3    6.6     2.8459   3.0830     2.8459   3.0830       ?       ? 
1 1 1    9    6   27 o     63.1    2.8    39.8420   3.5573    39.8420   3.5573       ?       ? 
1 1 1    9    6   29 o    100.0    2.0   100.0794   4.0316   100.0794   4.0316       ?       ? 
1 1 1    9    6   31 o    202.8    1.9   411.7010   7.5890   411.7010   7.5890       ?       ? 
1 1 1    9    6   33 o     89.2    2.1    79.6841   3.7945    79.6841   3.7945       ?       ? 
1 1 1    9    6   35 o    174.7    1.7   305.4556   5.9289   305.4556   5.9289       ?       ? 
1 1 1    9    6   37 o    130.0    1.9   169.3286   4.9803   169.3286   4.9803       ?       ? 
1 1 1    9    6   39 o     92.9    2.6    86.5616   4.7431    86.5616   4.7431       ?       ? 
1 1 1    9    6   41 o    101.3    2.5   102.9253   4.9803   102.9253   4.9803       ?       ? 
1 1 1    9    6   43 o     86.8    2.9    75.8896   4.9803    75.8896   4.9803       ?       ? 
1 1 1    9    6   45 o     46.9    4.8    22.2926   4.5059    22.2926   4.5059       ?       ? 
1 1 1    9    7    0 o    159.1    3.7   253.5187  11.6206   253.5187  11.6206     0.0     0.0 
1 1 1    9    7    2 o     86.5    2.6    74.9410   4.5059    74.9410   4.5059       ?       ? 
1 1 1    9    7    4 o    183.4    4.7   336.7600  17.0752   336.7600  17.0752       ?       ? 
1 1 1    9    7    6 o    448.0    5.6  2011.5485  50.5140  2011.5485  50.5140       ?       ? 
1 1 1    9    7    8 o    391.3    3.9  1533.2068  30.8301  1533.2068  30.8301       ?       ? 
1 1 1    9    7   10 o    222.1    2.7   493.5195  12.0949   493.5195  12.0949       ?       ? 
1 1 1    9    7   12 o    423.0    3.8  1791.4686  32.4902  1791.4686  32.4902       ?       ? 
1 1 1    9    7   14 o     98.3    2.2    96.7592   4.2688    96.7592   4.2688       ?       ? 
1 1 1    9    7   16 o    174.3    2.0   303.7955   6.8775   303.7955   6.8775       ?       ? 
1 1 1    9    7   18 o    180.9    2.0   327.2738   7.1146   327.2738   7.1146       ?       ? 
1 1 1    9    7   20 o    141.7    1.7   200.8702   4.7431   200.8702   4.7431       ?       ? 
1 1 1    9    7   22 o     58.6    2.8    34.3875   3.3202    34.3875   3.3202       ?       ? 
1 1 1    9    7   24 o     84.5    2.0    71.3836   3.3202    71.3836   3.3202       ?       ? 
1 1 1    9    7   26 o     67.8    2.4    46.0081   3.3202    46.0081   3.3202       ?       ? 
1 1 1    9    7   28 o     83.3    2.3    69.4864   3.7945    69.4864   3.7945       ?       ? 
1 1 1    9    7   30 o     29.3    6.6     9.0119   3.7945     9.0119   3.7945       ?       ? 
1 1 1    9    7   32 o     99.8    2.1    99.8422   4.2688    99.8422   4.2688       ?       ? 
1 1 1    9    7   34 o     78.6    2.6    61.8974   4.0316    61.8974   4.0316       ?       ? 
1 1 1    9    7   36 o     54.9    4.1    30.3558   4.5059    30.3558   4.5059       ?       ? 
1 1 1    9    7   38 o     28.8    7.7     8.7747   4.5059     8.7747   4.5059       ?       ? 
1 1 1    9    7   40 o     22.6    8.0     4.7431   4.5059     4.7431   4.5059       ?       ? 
1 1 1    9    7   42 o     95.2    2.7    91.0675   5.2174    91.0675   5.2174       ?       ? 
1 1 1    9    7   44 o     37.3    6.0    14.2293   4.5059    14.2293   4.5059       ?       ? 
1 1 1    9    8    1 o    123.4    2.8   152.2535   6.8775   152.2535   6.8775       ?       ? 
1 1 1    9    8    3 o    150.0    3.1   225.2972   9.2490   225.2972   9.2490       ?       ? 
1 1 1    9    8    5 o     75.2    3.6    56.6800   5.4546    56.6800   5.4546       ?       ? 
1 1 1    9    8    7 o    257.2    3.7   662.3738  19.2096   662.3738  19.2096       ?       ? 
1 1 1    9    8    9 o     41.6    4.3    17.3123   3.5573    17.3123   3.5573       ?       ? 
1 1 1    9    8   11 o    192.0    3.0   369.0131  11.3834   369.0131  11.3834       ?       ? 
1 1 1    9    8   13 o    230.0    2.7   529.3298  12.3321   529.3298  12.3321       ?       ? 
1 1 1    9    8   15 o    183.8    2.3   337.9458   8.3004   337.9458   8.3004       ?       ? 
1 1 1    9    8   17 o    187.2    2.2   350.7522   8.3004   350.7522   8.3004       ?       ? 
1 1 1    9    8   19 o    249.7    2.1   623.9547  10.6720   623.9547  10.6720       ?       ? 
1 1 1    9    8   21 o     61.5    3.1    37.9448   3.7945    37.9448   3.7945       ?       ? 
1 1 1    9    8   23 o    113.2    2.1   128.3008   4.7431   128.3008   4.7431       ?       ? 
1 1 1    9    8   25 o     44.6    4.3    19.9210   3.7945    19.9210   3.7945       ?       ? 
1 1 1    9    8   27 o     89.5    2.7    80.1584   4.7431    80.1584   4.7431       ?       ? 
1 1 1    9    8   29 o     47.3    4.3    22.5297   4.0316    22.5297   4.0316       ?       ? 
1 1 1    9    8   31 o    179.6    1.7   322.7679   5.9289   322.7679   5.9289       ?       ? 
1 1 1    9    8   33 o     21.9    7.6     4.5059   4.0316     4.5059   4.0316       ?       ? 
1 1 1    9    8   35 o     46.3    4.1    21.5811   3.7945    21.5811   3.7945       ?       ? 
1 1 1    9    8   37 o    208.0    1.7   433.2821   7.1146   433.2821   7.1146       ?       ? 
1 1 1    9    8   39 o     61.6    4.0    38.4191   4.9803    38.4191   4.9803       ?       ? 
1 1 1    9    8   41 o     22.5    8.2     4.5059   4.7431     4.5059   4.7431       ?       ? 
1 1 1    9    8   43 o     22.1    7.8     4.5059   4.2688     4.5059   4.2688       ?       ? 
1 1 1    9    9    0 o     96.5    4.9    93.9134   9.4862    93.9134   9.4862     0.0     0.0 
1 1 1    9    9    2 o     54.9    6.6    31.5416   7.1146    31.5416   7.1146     0.0     0.0 
1 1 1    9    9    4 o    288.0    5.5   831.9396  31.5416   831.9396  31.5416     0.0     0.0 
1 1 1    9    9    6 o    120.7    4.7   146.5618  11.3834   146.5618  11.3834     0.0     0.0 
1 1 1    9    9    8 o     96.4    5.1    93.9134   9.7234    93.9134   9.7234     0.0     0.0 
1 1 1    9    9   10 o    195.0    3.4   380.8709  13.2807   380.8709  13.2807     0.0     0.0 
1 1 1    9    9   12 o    210.6    3.6   444.4284  15.1779   444.4284  15.1779     0.0     0.0 
1 1 1    9    9   14 o    285.9    4.4   819.6075  24.9013   819.6075  24.9013     0.0     0.0 
1 1 1    9    9   16 o     27.0   11.4    10.4348   6.1660    10.4348   6.1660     0.0     0.0 
1 1 1    9    9   18 o     23.9   10.5     8.3004   5.2174     8.3004   5.2174     0.0     0.0 
1 1 1    9    9   20 o     87.7    3.1    77.3125   5.4546    77.3125   5.4546     0.0     0.0 
1 1 1    9    9   22 o    246.7    2.8   609.2511  13.9921   609.2511  13.9921     0.0     0.0 
1 1 1    9    9   24 o    157.7    2.9   249.2499   9.2490   249.2499   9.2490     0.0     0.0 
1 1 1    9    9   26 o     58.4    4.7    34.8618   5.4546    34.8618   5.4546     0.0     0.0 
1 1 1    9    9   28 o     17.8   10.2     4.2688   5.6917     4.2688   5.6917     0.0     0.0 
1 1 1    9    9   30 o    108.1    3.5   117.6289   7.5890   117.6289   7.5890     0.0     0.0 
1 1 1    9    9   32 o     17.1    9.4     4.2688   4.5059     4.2688   4.5059     0.0     0.0 
1 1 1    9    9   34 o     58.1    5.0    34.6246   5.6917    34.6246   5.6917     0.0     0.0 
1 1 1    9    9   36 o     57.4    5.5    34.1503   6.1660    34.1503   6.1660     0.0     0.0 
1 1 1    9    9   38 o     10.2    7.3    -8.3004   6.4032    -8.3004   6.4032     0.0     0.0 
1 1 1    9    9   40 o     18.0   10.5     4.2688   6.1660     4.2688   6.1660     0.0     0.0 
1 1 1   10    0    2 o    249.4    4.7   623.2432  23.2412   623.2432  23.2412     0.0     0.0 
1 1 1   10    0    4 o    335.8    6.0  1129.8063  40.0792  1129.8063  40.0792     0.0     0.0 
1 1 1   10    0    6 o    189.1    4.1   358.1040  15.6522   358.1040  15.6522     0.0     0.0 
1 1 1   10    0    8 o     69.4    4.8    48.8539   6.6403    48.8539   6.6403     0.0     0.0 
1 1 1   10    0   10 o     43.5    9.3    21.3439   7.1146    21.3439   7.1146     0.0     0.0 
1 1 1   10    0   12 o     34.0    5.6    12.3321   3.5573    12.3321   3.5573     0.0     0.0 
1 1 1   10    0   14 o    257.7    2.9   664.5082  14.9408   664.5082  14.9408     0.0     0.0 
1 1 1   10    0   16 o    374.6    3.8  1404.6688  28.2214  1404.6688  28.2214     0.0     0.0 
1 1 1   10    0   18 o     74.8    2.9    56.2057   4.2688    56.2057   4.2688     0.0     0.0 
1 1 1   10    0   20 o    408.8    3.2  1672.4167  26.3242  1672.4167  26.3242     0.0     0.0 
1 1 1   10    0   22 o    333.3    2.7  1111.7825  18.0238  1111.7825  18.0238     0.0     0.0 
1 1 1   10    0   24 o    133.8    2.1   179.2891   5.6917   179.2891   5.6917     0.0     0.0 
1 1 1   10    0   26 o    205.0    2.2   420.4757   9.0119   420.4757   9.0119     0.0     0.0 
1 1 1   10    0   28 o    164.0    2.1   269.1709   6.8775   269.1709   6.8775     0.0     0.0 
1 1 1   10    0   30 o     80.9    3.4    65.9291   5.4546    65.9291   5.4546     0.0     0.0 
1 1 1   10    0   32 o    178.9    2.1   320.1592   7.5890   320.1592   7.5890     0.0     0.0 
1 1 1   10    0   34 o     28.0   12.9    11.6206   7.8261    11.6206   7.8261     0.0     0.0 
1 1 1   10    0   36 o    148.0    2.6   219.3683   7.5890   219.3683   7.5890     0.0     0.0 
1 1 1   10    0   38 o     43.9    5.7    19.6839   4.9803    19.6839   4.9803     0.0     0.0 
1 1 1   10    0   40 o    144.1    2.5   207.9849   7.1146   207.9849   7.1146     0.0     0.0 
1 1 1   10    0   42 o     79.3    3.9    63.5575   6.1660    63.5575   6.1660     0.0     0.0 
1 1 1   10    0   44 o    117.3    2.8   138.2613   6.6403   138.2613   6.6403     0.0     0.0 
1 1 1   10    0   46 o     12.5    8.7    -4.0316   6.8775    -4.0316   6.8775     0.0     0.0 
1 1 1   10    1    1 o    141.0    2.3   198.7359   6.4032   198.7359   6.4032       ?       ? 
1 1 1   10    1    3 o    255.1    5.0   651.4647  25.3756   651.4647  25.3756       ?       ? 
1 1 1   10    1    5 o     81.3    2.6    66.1662   4.2688    66.1662   4.2688       ?       ? 
1 1 1   10    1    7 o    188.4    2.8   355.0210  10.4348   355.0210  10.4348       ?       ? 
1 1 1   10    1    9 o    147.7    1.9   218.1826   5.6917   218.1826   5.6917       ?       ? 
1 1 1   10    1   11 o    324.8    2.8  1055.5768  18.4981  1055.5768  18.4981       ?       ? 
1 1 1   10    1   13 o    275.0    2.3   756.5244  12.5692   756.5244  12.5692       ?       ? 
1 1 1   10    1   15 f    281.8    2.1   794.4691  11.6206   794.4691  11.6206       ?       ? 
1 1 1   10    1   17 o    242.6    1.9   588.8558   9.0119   588.8558   9.0119       ?       ? 
1 1 1   10    1   19 o    116.8    1.8   136.3641   4.2688   136.3641   4.2688       ?       ? 
1 1 1   10    1   21 o    205.3    1.5   421.6615   6.1660   421.6615   6.1660       ?       ? 
1 1 1   10    1   23 o     49.4    3.1    24.4270   3.0830    24.4270   3.0830       ?       ? 
1 1 1   10    1   25 o     69.2    2.4    47.9053   3.3202    47.9053   3.3202       ?       ? 
1 1 1   10    1   27 f    307.8    1.8   947.6713  11.3834   947.6713  11.3834       ?       ? 
1 1 1   10    1   29 o     85.6    2.1    73.2809   3.5573    73.2809   3.5573       ?       ? 
1 1 1   10    1   31 o    153.8    1.5   236.6807   4.7431   236.6807   4.7431       ?       ? 
1 1 1   10    1   33 o    128.2    1.9   164.3484   4.7431   164.3484   4.7431       ?       ? 
1 1 1   10    1   35 o     74.2    2.9    55.2571   4.2688    55.2571   4.2688       ?       ? 
1 1 1   10    1   37 o     80.7    2.5    65.2176   4.0316    65.2176   4.0316       ?       ? 
1 1 1   10    1   39 o     46.5    4.3    21.8183   4.0316    21.8183   4.0316       ?       ? 
1 1 1   10    1   41 o     95.5    2.2    91.3047   4.2688    91.3047   4.2688       ?       ? 
1 1 1   10    1   43 o     17.9    7.4     1.1858   4.2688     1.1858   4.2688       ?       ? 
1 1 1   10    1   45 o     49.2    5.1    24.6641   4.9803    24.6641   4.9803       ?       ? 
1 1 1   10    1   47 o     27.1    7.9     7.8261   4.5059     7.8261   4.5059       ?       ? 
1 1 1   10    2    0 o    265.3    4.4   704.8246  23.2412   704.8246  23.2412     0.0     0.0 
1 1 1   10    2    2 o    363.9    4.2  1325.4591  30.8301  1325.4591  30.8301       ?       ? 
1 1 1   10    2    4 o    283.4    3.4   803.9553  19.2096   803.9553  19.2096       ?       ? 
1 1 1   10    2    6 o    234.1    2.5   548.3022  11.8577   548.3022  11.8577       ?       ? 
1 1 1   10    2    8 o    390.3    3.9  1524.6693  30.1187  1524.6693  30.1187       ?       ? 
1 1 1   10    2   10 o    397.0    3.9  1578.0292  30.5930  1578.0292  30.5930       ?       ? 
1 1 1   10    2   12 o    274.7    3.2   755.3386  17.5495   755.3386  17.5495       ?       ? 
1 1 1   10    2   14 o    425.9    3.5  1815.1841  29.8815  1815.1841  29.8815       ?       ? 
1 1 1   10    2   16 o    338.3    2.5  1144.9841  16.6008  1144.9841  16.6008       ?       ? 
1 1 1   10    2   18 o     71.1    2.2    50.5140   3.0830    50.5140   3.0830       ?       ? 
1 1 1   10    2   20 o    150.8    1.5   227.4316   4.5059   227.4316   4.5059       ?       ? 
1 1 1   10    2   22 o    144.0    1.5   207.5106   4.2688   207.5106   4.2688       ?       ? 
1 1 1   10    2   24 o     35.4    4.4    12.5692   3.0830    12.5692   3.0830       ?       ? 
1 1 1   10    2   26 o    150.0    1.5   225.0601   4.5059   225.0601   4.5059       ?       ? 
1 1 1   10    2   28 o    121.1    1.8   146.7989   4.2688   146.7989   4.2688       ?       ? 
1 1 1   10    2   30 f    129.7    1.7   168.3800   4.5059   168.3800   4.5059       ?       ? 
1 1 1   10    2   32 o    142.9    1.6   204.4276   4.5059   204.4276   4.5059       ?       ? 
1 1 1   10    2   34 o     95.9    2.1    92.0161   4.0316    92.0161   4.0316       ?       ? 
1 1 1   10    2   36 o     99.8    2.3    99.8422   4.5059    99.8422   4.5059       ?       ? 
1 1 1   10    2   38 o     78.9    2.6    62.3718   4.0316    62.3718   4.0316       ?       ? 
1 1 1   10    2   40 o     28.4    7.1     8.5376   4.0316     8.5376   4.0316       ?       ? 
1 1 1   10    2   42 o     51.6    3.9    26.7985   4.0316    26.7985   4.0316       ?       ? 
1 1 1   10    2   44 f     66.8    3.7    45.0594   4.9803    45.0594   4.9803       ?       ? 
1 1 1   10    2   46 o    120.8    2.5   146.5618   5.9289   146.5618   5.9289       ?       ? 
1 1 1   10    3    1 o    222.4    3.9   495.1796  17.3123   495.1796  17.3123       ?       ? 
1 1 1   10    3    3 o    354.5    5.8  1259.5299  41.0278  1259.5299  41.0278       ?       ? 
1 1 1   10    3    5 o     88.6    2.4    78.4983   4.2688    78.4983   4.2688       ?       ? 
1 1 1   10    3    7 o    134.8    2.5   181.8978   6.6403   181.8978   6.6403       ?       ? 
1 1 1   10    3    9 o    376.6    3.7  1419.3724  27.9843  1419.3724  27.9843       ?       ? 
1 1 1   10    3   11 o    556.7    5.1  3104.5955  56.6800  3104.5955  56.6800       ?       ? 
1 1 1   10    3   13 o    101.8    2.0   103.6367   4.0316   103.6367   4.0316       ?       ? 
1 1 1   10    3   15 o     17.0    6.7     1.6601   3.3202     1.6601   3.3202       ?       ? 
1 1 1   10    3   17 o    143.0    1.6   204.4276   4.5059   204.4276   4.5059       ?       ? 
1 1 1   10    3   19 o     68.5    2.1    46.9567   2.8459    46.9567   2.8459       ?       ? 
1 1 1   10    3   21 f    191.5    1.5   366.6416   5.9289   366.6416   5.9289       ?       ? 
1 1 1   10    3   23 o    174.7    1.5   305.4556   5.2174   305.4556   5.2174       ?       ? 
1 1 1   10    3   25 o     56.1    3.0    31.5416   3.3202    31.5416   3.3202       ?       ? 
1 1 1   10    3   27 o     32.2    5.2    10.4348   3.3202    10.4348   3.3202       ?       ? 
1 1 1   10    3   29 o    168.6    1.7   284.3488   5.6917   284.3488   5.6917       ?       ? 
1 1 1   10    3   31 o    140.9    1.7   198.7359   4.7431   198.7359   4.7431       ?       ? 
1 1 1   10    3   33 o    125.4    1.9   157.4709   4.7431   157.4709   4.7431       ?       ? 
1 1 1   10    3   35 o     54.3    3.5    29.6444   3.7945    29.6444   3.7945       ?       ? 
1 1 1   10    3   37 o    180.7    1.5   326.7995   5.4546   326.7995   5.4546       ?       ? 
1 1 1   10    3   39 o    109.3    2.0   119.7633   4.2688   119.7633   4.2688       ?       ? 
1 1 1   10    3   41 o     39.3    5.1    15.6522   4.0316    15.6522   4.0316       ?       ? 
1 1 1   10    3   43 o    126.6    2.2   160.7911   5.4546   160.7911   5.4546       ?       ? 
1 1 1   10    3   45 o     34.7    6.7    12.8064   4.5059    12.8064   4.5059       ?       ? 
1 1 1   10    3   47 o     52.6    4.1    27.9843   4.2688    27.9843   4.2688       ?       ? 
1 1 1   10    4    2 o     82.9    2.3    68.7749   3.7945    68.7749   3.7945       ?       ? 
1 1 1   10    4    4 o    273.2    3.5   746.8010  18.9724   746.8010  18.9724       ?       ? 
1 1 1   10    4    6 o    217.8    2.9   474.7842  12.8064   474.7842  12.8064       ?       ? 
1 1 1   10    4    8 o    264.4    3.4   699.8443  17.7866   699.8443  17.7866       ?       ? 
1 1 1   10    4   10 o    381.4    4.4  1457.0801  33.9132  1457.0801  33.9132       ?       ? 
1 1 1   10    4   12 o    269.1    2.5   724.2712  13.2807   724.2712  13.2807       ?       ? 
1 1 1   10    4   14 o    221.6    1.9   491.1479   8.5376   491.1479   8.5376       ?       ? 
1 1 1   10    4   16 o     54.6    2.6    29.8815   2.8459    29.8815   2.8459       ?       ? 
1 1 1   10    4   18 o    146.7    1.7   215.3367   4.9803   215.3367   4.9803       ?       ? 
1 1 1   10    4   20 o    123.7    1.5   152.9650   3.7945   152.9650   3.7945       ?       ? 
1 1 1   10    4   22 o    240.7    1.7   579.3696   8.3004   579.3696   8.3004       ?       ? 
1 1 1   10    4   24 o    132.4    1.6   175.4947   4.2688   175.4947   4.2688       ?       ? 
1 1 1   10    4   26 o     46.1    3.3    21.3439   3.0830    21.3439   3.0830       ?       ? 
1 1 1   10    4   28 o    106.4    1.9   113.3601   4.0316   113.3601   4.0316       ?       ? 
1 1 1   10    4   30 o    171.0    1.5   292.6492   5.2174   292.6492   5.2174       ?       ? 
1 1 1   10    4   32 o     22.9    7.3     5.2174   3.7945     5.2174   3.7945       ?       ? 
1 1 1   10    4   34 o    132.0    1.9   174.5461   4.9803   174.5461   4.9803       ?       ? 
1 1 1   10    4   36 o    105.9    2.5   112.4115   5.2174   112.4115   5.2174       ?       ? 
1 1 1   10    4   38 o     98.7    2.5    97.7078   4.9803    97.7078   4.9803       ?       ? 
1 1 1   10    4   40 o    131.4    2.3   173.1231   6.1660   173.1231   6.1660       ?       ? 
1 1 1   10    4   42 o     21.9    8.0     4.2688   4.5059     4.2688   4.5059       ?       ? 
1 1 1   10    4   44 o     49.3    4.6    24.6641   4.5059    24.6641   4.5059       ?       ? 
1 1 1   10    4   46 o     80.5    3.1    65.2176   4.9803    65.2176   4.9803       ?       ? 
1 1 1   10    5    1 o    199.3    3.5   397.7089  13.7550   397.7089  13.7550       ?       ? 
1 1 1   10    5    3 o    180.8    3.5   327.2738  12.8064   327.2738  12.8064       ?       ? 
1 1 1   10    5    7 o    209.4    3.1   438.7367  12.8064   438.7367  12.8064       ?       ? 
1 1 1   10    5    9 o    290.8    3.5   846.4061  20.6325   846.4061  20.6325       ?       ? 
1 1 1   10    5   11 f    202.1    2.7   408.8551  10.9091   408.8551  10.9091       ?       ? 
1 1 1   10    5   13 o    307.2    2.5   944.3511  15.1779   944.3511  15.1779       ?       ? 
1 1 1   10    5   15 o    351.6    2.5  1236.7631  17.5495  1236.7631  17.5495       ?       ? 
1 1 1   10    5   17 o    168.3    1.5   283.4002   5.2174   283.4002   5.2174       ?       ? 
1 1 1   10    5   19 o    101.7    1.7   103.3996   3.5573   103.3996   3.5573       ?       ? 
1 1 1   10    5   21 f     75.9    2.2    57.6287   3.3202    57.6287   3.3202       ?       ? 
1 1 1   10    5   23 o    108.9    1.7   118.5775   3.7945   118.5775   3.7945       ?       ? 
1 1 1   10    5   25 o    110.5    1.8   122.1348   4.0316   122.1348   4.0316       ?       ? 
1 1 1   10    5   27 o    177.8    1.5   316.1276   5.4546   316.1276   5.4546       ?       ? 
1 1 1   10    5   29 o     47.7    4.0    22.7669   3.7945    22.7669   3.7945       ?       ? 
1 1 1   10    5   31 o     95.4    2.1    91.0675   4.0316    91.0675   4.0316       ?       ? 
1 1 1   10    5   33 o     59.7    3.4    35.8104   4.0316    35.8104   4.0316       ?       ? 
1 1 1   10    5   35 o     70.4    3.2    49.8025   4.5059    49.8025   4.5059       ?       ? 
1 1 1   10    5   37 o     39.1    4.5    15.4151   3.5573    15.4151   3.5573       ?       ? 
1 1 1   10    5   39 o     48.0    4.7    23.2412   4.5059    23.2412   4.5059       ?       ? 
1 1 1   10    5   41 o     76.3    3.1    58.5773   4.7431    58.5773   4.7431       ?       ? 
1 1 1   10    5   43 o     55.2    4.1    30.8301   4.5059    30.8301   4.5059       ?       ? 
1 1 1   10    5   45 o     28.6    7.1     8.7747   4.0316     8.7747   4.0316       ?       ? 
1 1 1   10    6    0 o     75.0    2.9    56.4429   4.2688    56.4429   4.2688     0.0     0.0 
1 1 1   10    6    2 o    253.7    3.0   644.1129  15.1779   644.1129  15.1779       ?       ? 
1 1 1   10    6    4 o    175.8    3.5   309.2501  12.3321   309.2501  12.3321       ?       ? 
1 1 1   10    6    6 o    311.1    5.6   970.2009  35.0989   970.2009  35.0989       ?       ? 
1 1 1   10    6    8 o    209.8    2.7   440.6339  11.3834   440.6339  11.3834       ?       ? 
1 1 1   10    6   10 o    230.9    2.3   533.5986  10.6720   533.5986  10.6720       ?       ? 
1 1 1   10    6   12 o    168.3    2.3   283.4002   7.8261   283.4002   7.8261       ?       ? 
1 1 1   10    6   14 o    107.1    2.0   114.7830   4.2688   114.7830   4.2688       ?       ? 
1 1 1   10    6   16 o    235.0    2.1   552.3339   9.9605   552.3339   9.9605       ?       ? 
1 1 1   10    6   18 o    194.7    2.0   379.2108   7.8261   379.2108   7.8261       ?       ? 
1 1 1   10    6   20 o    126.5    1.8   160.0796   4.5059   160.0796   4.5059       ?       ? 
1 1 1   10    6   22 o    118.2    1.7   139.6843   4.0316   139.6843   4.0316       ?       ? 
1 1 1   10    6   24 o     77.6    2.3    60.2374   3.5573    60.2374   3.5573       ?       ? 
1 1 1   10    6   26 o     99.7    1.9    99.3679   3.7945    99.3679   3.7945       ?       ? 
1 1 1   10    6   28 o    245.4    2.3   602.6108  11.3834   602.6108  11.3834       ?       ? 
1 1 1   10    6   30 o     27.6    7.2     8.0633   4.0316     8.0633   4.0316       ?       ? 
1 1 1   10    6   32 o     53.9    4.0    29.1701   4.2688    29.1701   4.2688       ?       ? 
1 1 1   10    6   34 o     52.9    4.3    28.2214   4.5059    28.2214   4.5059       ?       ? 
1 1 1   10    6   36 o     39.7    5.1    15.8894   4.0316    15.8894   4.0316       ?       ? 
1 1 1   10    6   38 o    114.0    2.1   130.1981   4.7431   130.1981   4.7431       ?       ? 
1 1 1   10    6   40 o     42.0    5.7    18.0238   4.7431    18.0238   4.7431       ?       ? 
1 1 1   10    6   42 o    137.8    2.2   190.4354   5.9289   190.4354   5.9289       ?       ? 
1 1 1   10    6   44 o     33.1    6.7    11.6206   4.2688    11.6206   4.2688       ?       ? 
1 1 1   10    7    1 o    234.2    3.0   548.7766  14.2293   548.7766  14.2293       ?       ? 
1 1 1   10    7    3 o    181.6    2.6   329.8826   9.4862   329.8826   9.4862       ?       ? 
1 1 1   10    7    5 o    162.7    2.6   264.9021   8.3004   264.9021   8.3004       ?       ? 
1 1 1   10    7    7 o    145.4    2.1   211.5422   6.1660   211.5422   6.1660       ?       ? 
1 1 1   10    7    9 o    305.3    3.4   932.9676  20.6325   932.9676  20.6325       ?       ? 
1 1 1   10    7   11 o     65.3    2.7    42.6879   3.5573    42.6879   3.5573       ?       ? 
1 1 1   10    7   13 o    302.3    3.2   914.9438  19.2096   914.9438  19.2096       ?       ? 
1 1 1   10    7   15 f     43.5    4.1    18.9724   3.5573    18.9724   3.5573       ?       ? 
1 1 1   10    7   17 o     60.4    2.9    36.5219   3.5573    36.5219   3.5573       ?       ? 
1 1 1   10    7   19 o     73.1    2.8    53.5970   4.0316    53.5970   4.0316       ?       ? 
1 1 1   10    7   21 o    106.0    2.1   112.4115   4.5059   112.4115   4.5059       ?       ? 
1 1 1   10    7   23 o     24.8    6.6     6.4032   3.3202     6.4032   3.3202       ?       ? 
1 1 1   10    7   25 o     13.5    6.2    -3.5573   4.0316    -3.5573   4.0316       ?       ? 
1 1 1   10    7   27 o    107.1    1.9   114.7830   4.0316   114.7830   4.0316       ?       ? 
1 1 1   10    7   29 o    170.5    1.8   290.9891   6.1660   290.9891   6.1660       ?       ? 
1 1 1   10    7   31 o     93.2    2.4    87.0359   4.5059    87.0359   4.5059       ?       ? 
1 1 1   10    7   33 o     37.1    6.6    14.4665   4.7431    14.4665   4.7431       ?       ? 
1 1 1   10    7   35 o     74.7    3.0    55.9686   4.5059    55.9686   4.5059       ?       ? 
1 1 1   10    7   37 o     24.9    7.8     6.4032   4.2688     6.4032   4.2688       ?       ? 
1 1 1   10    7   39 o    147.2    2.1   217.4711   6.1660   217.4711   6.1660       ?       ? 
1 1 1   10    7   41 o     47.1    4.8    22.5297   4.5059    22.5297   4.5059       ?       ? 
1 1 1   10    8    0 o     40.9    9.0    18.9724   6.4032    18.9724   6.4032     0.0     0.0 
1 1 1   10    8    2 o     65.5    3.4    42.9250   4.5059    42.9250   4.5059       ?       ? 
1 1 1   10    8    4 o     57.6    3.3    33.2017   3.7945    33.2017   3.7945       ?       ? 
1 1 1   10    8    6 o    244.1    3.7   596.9190  18.0238   596.9190  18.0238       ?       ? 
1 1 1   10    8    8 o    129.2    2.6   167.1942   6.6403   167.1942   6.6403       ?       ? 
1 1 1   10    8   10 o     83.6    3.1    69.9607   5.2174    69.9607   5.2174       ?       ? 
1 1 1   10    8   12 o     66.7    3.7    44.5851   4.9803    44.5851   4.9803       ?       ? 
1 1 1   10    8   14 o     14.2    6.2    -0.7115   3.3202    -0.7115   3.3202       ?       ? 
1 1 1   10    8   16 o    127.3    2.1   162.2140   5.4546   162.2140   5.4546       ?       ? 
1 1 1   10    8   18 o    145.8    2.0   212.7280   5.6917   212.7280   5.6917       ?       ? 
1 1 1   10    8   20 o    275.9    2.7   762.2160  14.7036   762.2160  14.7036       ?       ? 
1 1 1   10    8   22 o     88.9    3.2    79.2098   5.6917    79.2098   5.6917       ?       ? 
1 1 1   10    8   24 o     88.8    2.7    78.9726   4.7431    78.9726   4.7431       ?       ? 
1 1 1   10    8   26 f     44.5    4.3    19.9210   3.7945    19.9210   3.7945       ?       ? 
1 1 1   10    8   28 o    145.2    1.7   211.0679   4.9803   211.0679   4.9803       ?       ? 
1 1 1   10    8   30 o     21.3    7.3     4.2688   3.7945     4.2688   3.7945       ?       ? 
1 1 1   10    8   32 o     24.9    7.5     6.4032   4.0316     6.4032   4.0316       ?       ? 
1 1 1   10    8   34 o     86.6    2.7    75.1781   4.7431    75.1781   4.7431       ?       ? 
1 1 1   10    8   36 o     95.0    2.6    90.5932   4.9803    90.5932   4.9803       ?       ? 
1 1 1   10    8   38 o     16.4    7.0     0.2372   4.0316     0.2372   4.0316       ?       ? 
1 1 1   10    8   40 o     59.3    4.0    35.5732   4.7431    35.5732   4.7431       ?       ? 
1 1 1   10    9    1 o     87.4    3.4    76.6011   5.9289    76.6011   5.9289       ?       ? 
1 1 1   10    9    3 o     57.3    4.8    32.9645   5.4546    32.9645   5.4546       ?       ? 
1 1 1   10    9    5 o    159.9    3.3   256.3645  10.4348   256.3645  10.4348       ?       ? 
1 1 1   10    9    7 o    127.5    3.3   162.9254   8.5376   162.9254   8.5376       ?       ? 
1 1 1   10    9    9 o     72.8    3.1    53.1227   4.5059    53.1227   4.5059       ?       ? 
1 1 1   10    9   11 o     44.2    4.8    19.6839   4.2688    19.6839   4.2688       ?       ? 
1 1 1   10    9   13 o    210.7    2.6   444.4284  11.1463   444.4284  11.1463       ?       ? 
1 1 1   10    9   15 o     52.4    4.1    27.5100   4.2688    27.5100   4.2688       ?       ? 
1 1 1   10    9   17 o     74.3    3.2    55.2571   4.7431    55.2571   4.7431       ?       ? 
1 1 1   10    9   19 f     91.2    3.5    83.4785   6.4032    83.4785   6.4032       ?       ? 
1 1 1   10    9   21 o     46.8    4.3    22.0554   4.0316    22.0554   4.0316       ?       ? 
1 1 1   10    9   23 o    132.9    2.0   176.9176   5.2174   176.9176   5.2174       ?       ? 
1 1 1   10    9   25 o     83.1    2.9    69.2493   4.7431    69.2493   4.7431       ?       ? 
1 1 1   10    9   27 o     93.3    2.4    87.2730   4.5059    87.2730   4.5059       ?       ? 
1 1 1   10    9   29 o    187.8    2.3   353.5981   8.5376   353.5981   8.5376       ?       ? 
1 1 1   10    9   31 o     70.9    3.2    50.5140   4.5059    50.5140   4.5059       ?       ? 
1 1 1   10    9   33 o     69.3    3.4    48.3796   4.7431    48.3796   4.7431       ?       ? 
1 1 1   10    9   35 o     78.4    2.9    61.8974   4.5059    61.8974   4.5059       ?       ? 
1 1 1   10    9   37 o     62.3    3.4    39.1306   4.2688    39.1306   4.2688       ?       ? 
1 1 1   10   10    0 o     57.1    7.5    34.3875   8.3004    34.3875   8.3004     0.0     0.0 
1 1 1   10   10    2 o     64.7    5.8    42.9250   7.3518    42.9250   7.3518     0.0     0.0 
1 1 1   10   10    4 o     82.6    6.4    69.7236  10.4348    69.7236  10.4348     0.0     0.0 
1 1 1   10   10    6 o    146.6    4.4   215.8110  12.8064   215.8110  12.8064     0.0     0.0 
1 1 1   10   10    8 o     12.8    9.1    -9.9605   9.0119    -9.9605   9.0119     0.0     0.0 
1 1 1   10   10   10 o    149.9    4.8   225.7715  14.4665   225.7715  14.4665     0.0     0.0 
1 1 1   10   10   12 o    131.2    3.4   172.6488   9.0119   172.6488   9.0119     0.0     0.0 
1 1 1   10   10   14 o    145.1    3.3   211.0679   9.4862   211.0679   9.4862     0.0     0.0 
1 1 1   10   10   16 o    180.0    3.4   325.1395  12.3321   325.1395  12.3321     0.0     0.0 
1 1 1   10   10   18 o     21.0   11.5     6.4032   6.8775     6.4032   6.8775     0.0     0.0 
1 1 1   10   10   20 o     39.8    8.1    17.7866   5.6917    17.7866   5.6917     0.0     0.0 
1 1 1   10   10   22 o     94.8    3.4    90.3560   6.4032    90.3560   6.4032     0.0     0.0 
1 1 1   10   10   24 o     10.4    7.3    -5.6917   5.6917    -5.6917   5.6917     0.0     0.0 
1 1 1   10   10   26 o     60.4    5.2    37.4705   6.1660    37.4705   6.1660     0.0     0.0 
1 1 1   10   10   28 o     11.9    8.0    -2.1344   5.4546    -2.1344   5.4546     0.0     0.0 
1 1 1   10   10   30 o      9.0    6.5    -8.3004   5.4546    -8.3004   5.4546     0.0     0.0 
1 1 1   10   10   32 o     75.1    4.9    57.6287   7.3518    57.6287   7.3518     0.0     0.0 
1 1 1   10   10   34 f     92.9    4.1    87.2730   7.5890    87.2730   7.5890     0.0     0.0 
1 1 1   10   10   36 o    103.6    4.1   108.3798   8.5376   108.3798   8.5376     0.0     0.0 
1 1 1   11    0    1 o    203.4    4.7   414.5469  19.2096   414.5469  19.2096     0.0     0.0 
1 1 1   11    0    3 o    295.5    5.5   875.1018  32.7274   875.1018  32.7274     0.0     0.0 
1 1 1   11    0    5 o    128.7    3.6   166.0085   9.2490   166.0085   9.2490     0.0     0.0 
1 1 1   11    0    7 o    244.0    5.2   596.9190  25.1384   596.9190  25.1384     0.0     0.0 
1 1 1   11    0    9 o    158.2    3.8   250.6728  11.8577   250.6728  11.8577     0.0     0.0 
1 1 1   11    0   11 o     91.4    5.4    84.4272   9.7234    84.4272   9.7234     0.0     0.0 
1 1 1   11    0   13 o    237.8    3.4   566.0889  16.3637   566.0889  16.3637     0.0     0.0 
1 1 1   11    0   15 o    370.4    3.7  1373.3643  27.2728  1373.3643  27.2728     0.0     0.0 
1 1 1   11    0   17 o     73.1    3.3    53.8342   4.7431    53.8342   4.7431     0.0     0.0 
1 1 1   11    0   19 o     98.1    2.7    96.5221   5.2174    96.5221   5.2174     0.0     0.0 
1 1 1   11    0   21 o     48.9    4.9    24.6641   4.7431    24.6641   4.7431     0.0     0.0 
1 1 1   11    0   23 o    118.9    2.4   141.5815   5.6917   141.5815   5.6917     0.0     0.0 
1 1 1   11    0   25 o    107.5    2.5   115.7316   5.4546   115.7316   5.4546     0.0     0.0 
1 1 1   11    0   27 o     75.9    3.8    58.1030   5.6917    58.1030   5.6917     0.0     0.0 
1 1 1   11    0   29 o    241.5    2.3   583.6384  10.9091   583.6384  10.9091     0.0     0.0 
1 1 1   11    0   31 o     43.3    9.0    21.1068   6.8775    21.1068   6.8775     0.0     0.0 
1 1 1   11    0   33 o     35.4    9.7    15.1779   5.9289    15.1779   5.9289     0.0     0.0 
1 1 1   11    0   35 o    213.7    2.9   457.4719  12.5692   457.4719  12.5692     0.0     0.0 
1 1 1   11    0   37 o     32.2   10.8    13.5178   6.1660    13.5178   6.1660     0.0     0.0 
1 1 1   11    0   39 o     13.6    9.4    -5.4546   8.3004    -5.4546   8.3004     0.0     0.0 
1 1 1   11    0   41 o     58.0    6.5    35.3361   7.3518    35.3361   7.3518     0.0     0.0 
1 1 1   11    0   43 o    162.8    3.7   266.7993  12.0949   266.7993  12.0949     0.0     0.0 
1 1 1   11    0   45 o     71.5    4.9    52.1741   6.8775    52.1741   6.8775     0.0     0.0 
1 1 1   11    1    0 o    307.4    5.7   947.1969  34.8618   947.1969  34.8618     0.0     0.0 
1 1 1   11    1    2 o    241.8    5.1   585.5356  24.4270   585.5356  24.4270       ?       ? 
1 1 1   11    1    4 o    176.1    3.4   310.4358  11.8577   310.4358  11.8577       ?       ? 
1 1 1   11    1    6 o    118.4    2.6   140.1586   6.1660   140.1586   6.1660       ?       ? 
1 1 1   11    1    8 o    214.2    3.4   459.3691  14.7036   459.3691  14.7036       ?       ? 
1 1 1   11    1   10 o    178.5    2.4   318.7363   8.5376   318.7363   8.5376       ?       ? 
1 1 1   11    1   12 o    265.4    2.5   704.5874  13.5178   704.5874  13.5178       ?       ? 
1 1 1   11    1   14 o    111.2    1.8   123.7949   4.0316   123.7949   4.0316       ?       ? 
1 1 1   11    1   16 o    148.9    1.8   221.7399   5.4546   221.7399   5.4546       ?       ? 
1 1 1   11    1   18 o    116.4    1.7   135.4155   4.0316   135.4155   4.0316       ?       ? 
1 1 1   11    1   20 o    185.5    1.7   344.1118   6.1660   344.1118   6.1660       ?       ? 
1 1 1   11    1   22 o     65.3    2.5    42.6879   3.3202    42.6879   3.3202       ?       ? 
1 1 1   11    1   24 o     76.3    2.3    58.3401   3.5573    58.3401   3.5573       ?       ? 
1 1 1   11    1   26 o    134.1    1.6   180.0006   4.2688   180.0006   4.2688       ?       ? 
1 1 1   11    1   28 o    158.7    1.6   252.0957   4.9803   252.0957   4.9803       ?       ? 
1 1 1   11    1   30 o    102.4    2.7   105.0596   5.4546   105.0596   5.4546       ?       ? 
1 1 1   11    1   32 o     80.4    2.8    64.7433   4.5059    64.7433   4.5059       ?       ? 
1 1 1   11    1   34 o    133.8    2.0   179.2891   5.4546   179.2891   5.4546       ?       ? 
1 1 1   11    1   36 o    102.1    2.3   104.5853   4.7431   104.5853   4.7431       ?       ? 
1 1 1   11    1   38 o    114.6    2.3   131.6210   5.2174   131.6210   5.2174       ?       ? 
1 1 1   11    1   40 o    120.4    2.3   145.3760   5.4546   145.3760   5.4546       ?       ? 
1 1 1   11    1   42 o     70.1    4.2    49.8025   5.9289    49.8025   5.9289       ?       ? 
1 1 1   11    1   44 o    168.8    2.1   285.7717   7.1146   285.7717   7.1146       ?       ? 
1 1 1   11    2    1 o    170.5    2.6   290.7520   9.0119   290.7520   9.0119       ?       ? 
1 1 1   11    2    3 o    169.4    2.7   286.9575   9.0119   286.9575   9.0119       ?       ? 
1 1 1   11    2    5 o    181.7    3.6   330.3569  13.0435   330.3569  13.0435       ?       ? 
1 1 1   11    2    7 o    188.1    2.5   353.8352   9.2490   353.8352   9.2490       ?       ? 
1 1 1   11    2    9 o    178.7    2.0   319.4477   7.1146   319.4477   7.1146       ?       ? 
1 1 1   11    2   11 o    306.6    2.8   940.7938  17.0752   940.7938  17.0752       ?       ? 
1 1 1   11    2   13 o     60.8    3.1    36.9962   3.7945    36.9962   3.7945       ?       ? 
1 1 1   11    2   15 f    136.9    2.0   187.5896   5.4546   187.5896   5.4546       ?       ? 
1 1 1   11    2   17 o    178.9    1.8   320.1592   6.4032   320.1592   6.4032       ?       ? 
1 1 1   11    2   19 o     61.2    2.9    37.4705   3.5573    37.4705   3.5573       ?       ? 
1 1 1   11    2   21 o    354.5    2.3  1257.6327  16.6008  1257.6327  16.6008       ?       ? 
1 1 1   11    2   23 o    157.1    1.6   246.8783   4.9803   246.8783   4.9803       ?       ? 
1 1 1   11    2   25 o     89.2    2.0    79.6841   3.5573    79.6841   3.5573       ?       ? 
1 1 1   11    2   27 o    151.8    1.6   230.5146   4.7431   230.5146   4.7431       ?       ? 
1 1 1   11    2   29 o    131.5    1.9   173.1231   4.9803   173.1231   4.9803       ?       ? 
1 1 1   11    2   31 o     10.2    5.1   -11.3834   4.2688   -11.3834   4.2688       ?       ? 
1 1 1   11    2   33 o     72.1    3.0    52.1741   4.2688    52.1741   4.2688       ?       ? 
1 1 1   11    2   35 o    112.6    2.1   127.1151   4.7431   127.1151   4.7431       ?       ? 
1 1 1   11    2   37 o    109.7    2.5   120.7119   5.4546   120.7119   5.4546       ?       ? 
1 1 1   11    2   39 o     81.0    2.9    65.9291   4.7431    65.9291   4.7431       ?       ? 
1 1 1   11    2   41 o    144.1    2.6   208.6964   7.3518   208.6964   7.3518       ?       ? 
1 1 1   11    2   43 o     73.2    3.4    54.0713   4.9803    54.0713   4.9803       ?       ? 
1 1 1   11    2   45 o    116.1    2.2   135.1783   5.2174   135.1783   5.2174       ?       ? 
1 1 1   11    3    0 o    202.7    3.7   411.4639  15.1779   411.4639  15.1779     0.0     0.0 
1 1 1   11    3    4 o    148.0    3.5   219.1312  10.4348   219.1312  10.4348       ?       ? 
1 1 1   11    3    6 o    146.5    2.4   214.8624   7.1146   214.8624   7.1146       ?       ? 
1 1 1   11    3    8 o    210.5    2.5   443.2426  10.6720   443.2426  10.6720       ?       ? 
1 1 1   11    3   10 o    287.9    2.6   829.0938  14.9408   829.0938  14.9408       ?       ? 
1 1 1   11    3   12 o    213.3    2.2   455.1003   9.4862   455.1003   9.4862       ?       ? 
1 1 1   11    3   14 o    190.8    2.2   364.0329   8.3004   364.0329   8.3004       ?       ? 
1 1 1   11    3   16 o    107.1    2.0   114.7830   4.2688   114.7830   4.2688       ?       ? 
1 1 1   11    3   18 o    312.1    2.4   974.9440  15.1779   974.9440  15.1779       ?       ? 
1 1 1   11    3   20 o    131.0    1.6   171.7002   4.2688   171.7002   4.2688       ?       ? 
1 1 1   11    3   22 o     45.1    3.4    20.3953   3.0830    20.3953   3.0830       ?       ? 
1 1 1   11    3   24 o    152.6    1.5   233.1233   4.5059   233.1233   4.5059       ?       ? 
1 1 1   11    3   26 o     55.7    3.0    31.0673   3.3202    31.0673   3.3202       ?       ? 
1 1 1   11    3   28 o    148.8    1.6   221.5027   4.7431   221.5027   4.7431       ?       ? 
1 1 1   11    3   30 o     16.4    6.9     0.4743   3.7945     0.4743   3.7945       ?       ? 
1 1 1   11    3   32 o    122.2    1.9   149.4076   4.7431   149.4076   4.7431       ?       ? 
1 1 1   11    3   34 o    119.9    2.2   143.9531   5.2174   143.9531   5.2174       ?       ? 
1 1 1   11    3   36 o     99.8    2.5    99.8422   4.9803    99.8422   4.9803       ?       ? 
1 1 1   11    3   38 o     54.7    4.1    30.1187   4.5059    30.1187   4.5059       ?       ? 
1 1 1   11    3   40 o     33.3    7.3    11.8577   4.7431    11.8577   4.7431       ?       ? 
1 1 1   11    3   42 o     48.3    4.9    23.7155   4.7431    23.7155   4.7431       ?       ? 
1 1 1   11    3   44 o     37.4    5.4    14.2293   4.0316    14.2293   4.0316       ?       ? 
1 1 1   11    4    1 o    400.0    6.3  1605.0647  50.5140  1605.0647  50.5140       ?       ? 
1 1 1   11    4    3 o    292.6    4.9   857.5524  28.9329   857.5524  28.9329       ?       ? 
1 1 1   11    4    5 o    362.1    4.3  1313.3641  31.0673  1313.3641  31.0673       ?       ? 
1 1 1   11    4    7 o    185.6    2.9   344.8233  10.6720   344.8233  10.6720       ?       ? 
1 1 1   11    4    9 o    170.9    2.8   292.1749   9.4862   292.1749   9.4862       ?       ? 
1 1 1   11    4   11 o    377.2    4.0  1424.5898  30.3558  1424.5898  30.3558       ?       ? 
1 1 1   11    4   13 o    293.6    2.5   862.7697  14.4665   862.7697  14.4665       ?       ? 
1 1 1   11    4   15 o    280.0    2.5   784.2715  13.9921   784.2715  13.9921       ?       ? 
1 1 1   11    4   17 o    217.3    1.9   472.4127   8.3004   472.4127   8.3004       ?       ? 
1 1 1   11    4   19 o     86.3    1.8    74.4667   3.0830    74.4667   3.0830       ?       ? 
1 1 1   11    4   21 o    185.1    1.7   342.9261   6.1660   342.9261   6.1660       ?       ? 
1 1 1   11    4   23 o    225.7    1.7   509.6460   7.8261   509.6460   7.8261       ?       ? 
1 1 1   11    4   25 o    201.7    1.6   406.9579   6.6403   406.9579   6.6403       ?       ? 
1 1 1   11    4   27 o     54.6    3.5    29.8815   3.7945    29.8815   3.7945       ?       ? 
1 1 1   11    4   29 o     86.9    2.5    75.6524   4.2688    75.6524   4.2688       ?       ? 
1 1 1   11    4   31 o     80.1    2.7    64.2690   4.2688    64.2690   4.2688       ?       ? 
1 1 1   11    4   33 o     57.1    3.5    32.7274   4.0316    32.7274   4.0316       ?       ? 
1 1 1   11    4   35 o     68.9    3.1    47.6681   4.2688    47.6681   4.2688       ?       ? 
1 1 1   11    4   37 o     88.9    2.7    79.2098   4.7431    79.2098   4.7431       ?       ? 
1 1 1   11    4   39 o    213.7    1.9   457.7091   8.3004   457.7091   8.3004       ?       ? 
1 1 1   11    4   41 o     58.0    5.5    34.3875   6.4032    34.3875   6.4032       ?       ? 
1 1 1   11    4   43 o    114.4    2.4   131.3839   5.4546   131.3839   5.4546       ?       ? 
1 1 1   11    5    2 o    144.0    2.9   207.5106   8.3004   207.5106   8.3004       ?       ? 
1 1 1   11    5    4 o     41.0    4.0    16.8380   3.3202    16.8380   3.3202       ?       ? 
1 1 1   11    5    6 o    318.5    4.2  1015.9719  26.7985  1015.9719  26.7985       ?       ? 
1 1 1   11    5    8 o    216.1    3.1   467.1953  13.2807   467.1953  13.2807       ?       ? 
1 1 1   11    5   10 o    293.5    3.6   862.7697  21.3439   862.7697  21.3439       ?       ? 
1 1 1   11    5   12 o     59.8    3.6    35.8104   4.2688    35.8104   4.2688       ?       ? 
1 1 1   11    5   14 o    148.9    2.4   221.9770   7.1146   221.9770   7.1146       ?       ? 
1 1 1   11    5   16 o    250.1    1.9   626.0891   9.7234   626.0891   9.7234       ?       ? 
1 1 1   11    5   18 o    177.8    1.7   316.1276   5.9289   316.1276   5.9289       ?       ? 
1 1 1   11    5   20 o     90.7    2.1    82.2928   3.7945    82.2928   3.7945       ?       ? 
1 1 1   11    5   22 o    103.5    1.8   107.1940   3.7945   107.1940   3.7945       ?       ? 
1 1 1   11    5   24 o    171.9    1.7   295.7322   5.6917   295.7322   5.6917       ?       ? 
1 1 1   11    5   26 o     78.5    2.7    61.6603   4.2688    61.6603   4.2688       ?       ? 
1 1 1   11    5   28 o    106.4    2.0   113.3601   4.2688   113.3601   4.2688       ?       ? 
1 1 1   11    5   30 o    140.2    1.8   196.8386   4.9803   196.8386   4.9803       ?       ? 
1 1 1   11    5   32 o     73.7    2.7    54.5456   4.0316    54.5456   4.0316       ?       ? 
1 1 1   11    5   34 o     21.3    7.3     4.2688   3.7945     4.2688   3.7945       ?       ? 
1 1 1   11    5   36 o    115.8    2.1   134.4669   4.9803   134.4669   4.9803       ?       ? 
1 1 1   11    5   38 o     17.1    7.3     0.0000   4.5059     0.0000   4.5059       ?       ? 
1 1 1   11    5   40 o    102.1    3.1   105.0596   6.4032   105.0596   6.4032       ?       ? 
1 1 1   11    5   42 o     23.8    7.8     5.6917   4.2688     5.6917   4.2688       ?       ? 
1 1 1   11    6    1 o    141.9    3.0   201.5817   8.5376   201.5817   8.5376       ?       ? 
1 1 1   11    6    3 o     85.5    3.5    73.2809   5.9289    73.2809   5.9289       ?       ? 
1 1 1   11    6    5 o     55.7    4.9    31.0673   5.4546    31.0673   5.4546       ?       ? 
1 1 1   11    6    7 o    137.4    2.6   189.0125   7.1146   189.0125   7.1146       ?       ? 
1 1 1   11    6    9 o    197.6    3.1   390.8314  12.0949   390.8314  12.0949       ?       ? 
1 1 1   11    6   11 o    108.6    3.6   118.1032   7.8261   118.1032   7.8261       ?       ? 
1 1 1   11    6   13 o    119.3    2.0   142.5301   4.7431   142.5301   4.7431       ?       ? 
1 1 1   11    6   15 o     94.1    2.0    88.6960   3.7945    88.6960   3.7945       ?       ? 
1 1 1   11    6   17 o    156.0    1.8   243.5581   5.6917   243.5581   5.6917       ?       ? 
1 1 1   11    6   19 o     93.5    2.0    87.5102   3.7945    87.5102   3.7945       ?       ? 
1 1 1   11    6   21 o     70.9    2.5    50.2769   3.5573    50.2769   3.5573       ?       ? 
1 1 1   11    6   23 o     44.0    4.6    19.4467   4.0316    19.4467   4.0316       ?       ? 
1 1 1   11    6   25 o     13.8    6.2    -1.6601   3.5573    -1.6601   3.5573       ?       ? 
1 1 1   11    6   27 o     19.0    7.4     2.3715   4.0316     2.3715   4.0316       ?       ? 
1 1 1   11    6   29 f    113.4    2.3   128.7751   5.2174   128.7751   5.2174       ?       ? 
1 1 1   11    6   31 o     83.9    2.7    70.6722   4.5059    70.6722   4.5059       ?       ? 
1 1 1   11    6   33 o     57.0    4.0    32.7274   4.5059    32.7274   4.5059       ?       ? 
1 1 1   11    6   35 o     59.2    4.0    35.3361   4.7431    35.3361   4.7431       ?       ? 
1 1 1   11    6   37 o    135.4    2.1   183.7951   5.6917   183.7951   5.6917       ?       ? 
1 1 1   11    6   39 o     11.2    5.5    -7.3518   4.0316    -7.3518   4.0316       ?       ? 
1 1 1   11    6   41 o     62.3    3.8    39.1306   4.7431    39.1306   4.7431       ?       ? 
1 1 1   11    7    0 o     12.4    8.1    -0.2372   4.7431    -0.2372   4.7431     0.0     0.0 
1 1 1   11    7    2 f    100.0    2.3   100.0794   4.5059   100.0794   4.5059       ?       ? 
1 1 1   11    7    4 o    101.9    4.1   104.1110   8.3004   104.1110   8.3004       ?       ? 
1 1 1   11    7    6 o    287.0    5.7   828.1451  32.9645   828.1451  32.9645       ?       ? 
1 1 1   11    7    8 o    117.8    3.6   138.9728   8.5376   138.9728   8.5376       ?       ? 
1 1 1   11    7   10 o    173.8    2.9   302.6097   9.9605   302.6097   9.9605       ?       ? 
1 1 1   11    7   12 o     22.5    6.5     5.2174   3.0830     5.2174   3.0830       ?       ? 
1 1 1   11    7   14 o    123.0    2.3   151.5420   5.6917   151.5420   5.6917       ?       ? 
1 1 1   11    7   16 o    230.7    2.3   532.6501  10.4348   532.6501  10.4348       ?       ? 
1 1 1   11    7   18 o    159.4    1.9   254.2301   6.1660   254.2301   6.1660       ?       ? 
1 1 1   11    7   20 o     86.5    2.6    74.9410   4.5059    74.9410   4.5059       ?       ? 
1 1 1   11    7   22 o     61.1    3.9    37.4705   4.7431    37.4705   4.7431       ?       ? 
1 1 1   11    7   24 o     65.1    2.9    42.4507   3.7945    42.4507   3.7945       ?       ? 
1 1 1   11    7   26 o    112.6    2.0   126.8779   4.5059   126.8779   4.5059       ?       ? 
1 1 1   11    7   28 o    109.7    2.2   120.4747   4.7431   120.4747   4.7431       ?       ? 
1 1 1   11    7   30 o     61.6    3.5    38.1819   4.2688    38.1819   4.2688       ?       ? 
1 1 1   11    7   32 o     44.4    4.8    19.9210   4.2688    19.9210   4.2688       ?       ? 
1 1 1   11    7   34 o    118.1    2.2   139.9214   5.2174   139.9214   5.2174       ?       ? 
1 1 1   11    7   36 o     59.0    4.2    35.3361   4.9803    35.3361   4.9803       ?       ? 
1 1 1   11    7   38 o    111.8    2.7   125.6921   5.9289   125.6921   5.9289       ?       ? 
1 1 1   11    7   40 o     73.1    3.6    53.8342   5.2174    53.8342   5.2174       ?       ? 
1 1 1   11    8    1 o    166.2    2.6   276.7598   8.7747   276.7598   8.7747       ?       ? 
1 1 1   11    8    3 o    115.9    2.6   134.4669   5.9289   134.4669   5.9289       ?       ? 
1 1 1   11    8    5 o    141.4    2.3   200.1588   6.4032   200.1588   6.4032       ?       ? 
1 1 1   11    8    7 o    105.4    1.8   111.2257   3.7945   111.2257   3.7945       ?       ? 
1 1 1   11    8    9 o    122.9    2.4   151.3049   5.9289   151.3049   5.9289       ?       ? 
1 1 1   11    8   11 o     70.8    3.0    50.2769   4.2688    50.2769   4.2688       ?       ? 
1 1 1   11    8   13 o     80.4    2.8    64.7433   4.5059    64.7433   4.5059       ?       ? 
1 1 1   11    8   15 o     83.7    2.7    70.1979   4.5059    70.1979   4.5059       ?       ? 
1 1 1   11    8   17 o    188.8    2.4   356.9182   9.0119   356.9182   9.0119       ?       ? 
1 1 1   11    8   19 o     51.2    3.9    26.3242   4.0316    26.3242   4.0316       ?       ? 
1 1 1   11    8   21 o    154.0    2.1   237.6293   6.4032   237.6293   6.4032       ?       ? 
1 1 1   11    8   23 o    161.6    2.0   261.5819   6.4032   261.5819   6.4032       ?       ? 
1 1 1   11    8   25 o    153.7    2.0   236.6807   6.1660   236.6807   6.1660       ?       ? 
1 1 1   11    8   27 o     44.1    5.4    19.6839   4.7431    19.6839   4.7431       ?       ? 
1 1 1   11    8   29 o     58.3    3.7    34.1503   4.2688    34.1503   4.2688       ?       ? 
1 1 1   11    8   31 o    216.9    1.7   471.2269   7.3518   471.2269   7.3518       ?       ? 
1 1 1   11    8   33 o     70.5    3.4    50.0397   4.7431    50.0397   4.7431       ?       ? 
1 1 1   11    8   35 o     21.9    8.0     4.2688   4.5059     4.2688   4.5059       ?       ? 
1 1 1   11    8   37 o     41.4    6.0    17.5495   4.9803    17.5495   4.9803       ?       ? 
1 1 1   11    9    0 o     75.2    4.8    57.3915   7.1146    57.3915   7.1146     0.0     0.0 
1 1 1   11    9    2 o    190.1    2.9   361.8985  11.1463   361.8985  11.1463       ?       ? 
1 1 1   11    9    4 o    110.0    2.6   121.1862   5.6917   121.1862   5.6917       ?       ? 
1 1 1   11    9    6 o     77.6    4.4    60.4745   6.8775    60.4745   6.8775       ?       ? 
1 1 1   11    9    8 o     48.1    4.7    23.2412   4.5059    23.2412   4.5059       ?       ? 
1 1 1   11    9   10 o     55.7    4.3    31.0673   4.7431    31.0673   4.7431       ?       ? 
1 1 1   11    9   12 o    151.9    2.9   230.9889   8.7747   230.9889   8.7747       ?       ? 
1 1 1   11    9   14 o    134.8    2.6   182.1350   6.8775   182.1350   6.8775       ?       ? 
1 1 1   11    9   16 o    100.2    2.6   100.5537   5.2174   100.5537   5.2174       ?       ? 
1 1 1   11    9   18 o    243.0    2.5   591.7016  12.3321   591.7016  12.3321       ?       ? 
1 1 1   11    9   20 o    104.9    2.5   110.2771   5.2174   110.2771   5.2174       ?       ? 
1 1 1   11    9   22 o    174.4    2.0   304.7441   7.1146   304.7441   7.1146       ?       ? 
1 1 1   11    9   24 o     74.5    3.5    55.7314   5.2174    55.7314   5.2174       ?       ? 
1 1 1   11    9   26 o     84.4    2.8    71.3836   4.7431    71.3836   4.7431       ?       ? 
1 1 1   11    9   28 o     71.2    3.2    50.9883   4.5059    50.9883   4.5059       ?       ? 
1 1 1   11    9   30 o     85.8    3.0    73.9923   5.2174    73.9923   5.2174       ?       ? 
1 1 1   11    9   32 o     27.1    8.4     7.8261   4.9803     7.8261   4.9803       ?       ? 
1 1 1   11    9   34 o     66.3    3.4    44.3480   4.5059    44.3480   4.5059       ?       ? 
1 1 1   11   10    1 o     77.4    3.2    60.0002   4.9803    60.0002   4.9803       ?       ? 
1 1 1   11   10    3 o     83.4    3.3    69.7236   5.4546    69.7236   5.4546       ?       ? 
1 1 1   11   10    5 o    165.5    3.4   274.8626  11.3834   274.8626  11.3834       ?       ? 
1 1 1   11   10    7 o     67.6    6.0    46.2452   8.0633    46.2452   8.0633       ?       ? 
1 1 1   11   10    9 o    139.0    2.6   193.7556   7.1146   193.7556   7.1146       ?       ? 
1 1 1   11   10   11 o    143.4    2.6   206.0877   7.5890   206.0877   7.5890       ?       ? 
1 1 1   11   10   13 o     19.4    7.4     2.6087   4.0316     2.6087   4.0316       ?       ? 
1 1 1   11   10   15 o    126.4    2.6   160.0796   6.6403   160.0796   6.6403       ?       ? 
1 1 1   11   10   17 o     97.0    3.1    94.3877   5.9289    94.3877   5.9289       ?       ? 
1 1 1   11   10   19 o     73.1    3.9    53.8342   5.6917    53.8342   5.6917       ?       ? 
1 1 1   11   10   21 o     75.1    3.5    56.6800   5.2174    56.6800   5.2174       ?       ? 
1 1 1   11   10   23 o     66.7    3.9    44.8223   5.2174    44.8223   5.2174       ?       ? 
1 1 1   11   10   25 o     63.8    3.9    41.0278   4.9803    41.0278   4.9803       ?       ? 
1 1 1   11   10   27 o     89.9    3.0    81.3441   5.4546    81.3441   5.4546       ?       ? 
1 1 1   11   10   29 f     20.7    7.9     3.3202   4.5059     3.3202   4.5059       ?       ? 
1 1 1   11   10   31 o    104.4    2.7   109.5656   5.6917   109.5656   5.6917       ?       ? 
1 1 1   11   10   33 o    153.3    2.2   235.7320   6.8775   235.7320   6.8775       ?       ? 
1 1 1   11   11    0 o     15.1   10.2    -3.5573   8.7747    -3.5573   8.7747     0.0     0.0 
1 1 1   11   11    2 o     17.3   10.1     3.7945   5.6917     3.7945   5.6917     0.0     0.0 
1 1 1   11   11    4 o     23.1   13.7     6.6403  10.6720     6.6403  10.6720     0.0     0.0 
1 1 1   11   11    6 o     80.9    7.1    67.5892  11.3834    67.5892  11.3834     0.0     0.0 
1 1 1   11   11    8 o     61.9    8.9    40.3163  10.6720    40.3163  10.6720     0.0     0.0 
1 1 1   11   11   10 o     69.9    7.8    51.2255  10.6720    51.2255  10.6720     0.0     0.0 
1 1 1   11   11   12 o     12.0    7.8    -0.2372   4.5059    -0.2372   4.5059     0.0     0.0 
1 1 1   11   11   14 o    196.5    3.8   387.7484  14.9408   387.7484  14.9408     0.0     0.0 
1 1 1   11   11   16 f    139.8    3.5   196.3643   9.7234   196.3643   9.7234     0.0     0.0 
1 1 1   11   11   18 o     57.1    7.0    34.3875   7.8261    34.3875   7.8261     0.0     0.0 
1 1 1   11   11   20 o     92.4    5.4    86.7987   9.9605    86.7987   9.9605     0.0     0.0 
1 1 1   11   11   22 o     74.2    4.8    56.2057   7.1146    56.2057   7.1146     0.0     0.0 
1 1 1   11   11   24 o     16.9   10.5     2.3715   7.1146     2.3715   7.1146     0.0     0.0 
1 1 1   11   11   26 o     12.3    8.0     0.2372   4.5059     0.2372   4.5059     0.0     0.0 
1 1 1   11   11   28 o     65.6    5.5    44.3480   7.1146    44.3480   7.1146     0.0     0.0 
1 1 1   12    0    2 o    282.0    5.7   797.5521  32.0159   797.5521  32.0159     0.0     0.0 
1 1 1   12    0    4 o    202.1    5.2   409.5666  20.8696   409.5666  20.8696     0.0     0.0 
1 1 1   12    0    6 o    140.3    3.8   197.3129  10.6720   197.3129  10.6720     0.0     0.0 
1 1 1   12    0    8 o     47.6   10.2    25.6127   8.5376    25.6127   8.5376     0.0     0.0 
1 1 1   12    0   10 o    133.5    3.9   178.8148  10.4348   178.8148  10.4348     0.0     0.0 
1 1 1   12    0   12 o     36.2    6.9    14.4665   4.5059    14.4665   4.5059     0.0     0.0 
1 1 1   12    0   14 o     29.9   10.2    11.6206   5.4546    11.6206   5.4546     0.0     0.0 
1 1 1   12    0   16 o     80.1    3.4    64.5061   5.4546    64.5061   5.4546     0.0     0.0 
1 1 1   12    0   18 o    181.0    3.1   328.2224  11.3834   328.2224  11.3834     0.0     0.0 
1 1 1   12    0   20 o    111.4    2.8   124.5064   6.1660   124.5064   6.1660     0.0     0.0 
1 1 1   12    0   22 o     45.8    5.0    21.8183   4.5059    21.8183   4.5059     0.0     0.0 
1 1 1   12    0   24 o    104.3    2.8   109.0913   5.9289   109.0913   5.9289     0.0     0.0 
1 1 1   12    0   26 o    113.1    2.9   128.3008   6.6403   128.3008   6.6403     0.0     0.0 
1 1 1   12    0   28 o     10.9    7.7    -6.6403   6.4032    -6.6403   6.4032     0.0     0.0 
1 1 1   12    0   30 o     23.4   11.5     8.3004   6.4032     8.3004   6.4032     0.0     0.0 
1 1 1   12    0   32 o    131.4    3.3   173.3603   8.5376   173.3603   8.5376     0.0     0.0 
1 1 1   12    0   34 o     45.9    6.1    22.2926   5.4546    22.2926   5.4546     0.0     0.0 
1 1 1   12    0   36 o    140.1    3.4   197.0758   9.4862   197.0758   9.4862     0.0     0.0 
1 1 1   12    0   38 o     83.4    4.1    70.4350   6.8775    70.4350   6.8775     0.0     0.0 
1 1 1   12    0   40 o     18.1   12.1    -1.4229  11.3834    -1.4229  11.3834     0.0     0.0 
1 1 1   12    0   42 o    127.2    3.7   162.9254   9.4862   162.9254   9.4862     0.0     0.0 
1 1 1   12    1    1 o    116.9    2.4   136.8384   5.6917   136.8384   5.6917       ?       ? 
1 1 1   12    1    3 o    298.7    4.0   893.1256  23.7155   893.1256  23.7155       ?       ? 
1 1 1   12    1    5 o    357.8    4.4  1282.0597  31.3045  1282.0597  31.3045       ?       ? 
1 1 1   12    1    7 o    122.9    3.0   151.0677   7.3518   151.0677   7.3518       ?       ? 
1 1 1   12    1    9 o    122.4    3.3   149.8819   8.0633   149.8819   8.0633       ?       ? 
1 1 1   12    1   11 o    296.5    3.2   880.0821  18.7352   880.0821  18.7352       ?       ? 
1 1 1   12    1   13 o    248.6    2.6   618.2630  12.8064   618.2630  12.8064       ?       ? 
1 1 1   12    1   15 f    121.8    1.9   148.4590   4.7431   148.4590   4.7431       ?       ? 
1 1 1   12    1   17 f    365.9    2.8  1340.3999  20.6325  1340.3999  20.6325       ?       ? 
1 1 1   12    1   19 o    150.1    1.7   225.5344   5.2174   225.5344   5.2174       ?       ? 
1 1 1   12    1   21 o     86.2    2.3    74.4667   4.0316    74.4667   4.0316       ?       ? 
1 1 1   12    1   23 o    199.8    1.7   399.6061   6.6403   399.6061   6.6403       ?       ? 
1 1 1   12    1   25 o    161.2    1.8   259.9218   5.9289   259.9218   5.9289       ?       ? 
1 1 1   12    1   27 o     87.7    2.6    77.0754   4.5059    77.0754   4.5059       ?       ? 
1 1 1   12    1   29 f    143.1    1.9   205.1390   5.4546   205.1390   5.4546       ?       ? 
1 1 1   12    1   31 o     99.9    2.5   100.0794   4.9803   100.0794   4.9803       ?       ? 
1 1 1   12    1   33 o     29.8    7.5     9.4862   4.5059     9.4862   4.5059       ?       ? 
1 1 1   12    1   35 o     39.9    5.6    16.1265   4.5059    16.1265   4.5059       ?       ? 
1 1 1   12    1   37 f     36.5    5.5    13.5178   4.0316    13.5178   4.0316       ?       ? 
1 1 1   12    1   39 o    155.7    2.2   243.3210   6.8775   243.3210   6.8775       ?       ? 
1 1 1   12    1   41 o     49.7    4.8    25.1384   4.7431    25.1384   4.7431       ?       ? 
1 1 1   12    1   43 o    107.2    2.5   115.2573   5.4546   115.2573   5.4546       ?       ? 
1 1 1   12    2    0 o    131.2    3.6   172.6488   9.4862   172.6488   9.4862     0.0     0.0 
1 1 1   12    2    2 o     95.3    2.6    90.8303   4.9803    90.8303   4.9803       ?       ? 
1 1 1   12    2    4 o    118.4    2.3   140.1586   5.4546   140.1586   5.4546       ?       ? 
1 1 1   12    2    6 o    158.8    2.8   252.3329   9.0119   252.3329   9.0119       ?       ? 
1 1 1   12    2    8 o    254.8    2.8   649.8046  14.2293   649.8046  14.2293       ?       ? 
1 1 1   12    2   10 o     61.2    2.9    37.4705   3.5573    37.4705   3.5573       ?       ? 
1 1 1   12    2   12 o     76.8    2.5    59.0516   3.7945    59.0516   3.7945       ?       ? 
1 1 1   12    2   14 o    190.2    2.1   361.8985   7.8261   361.8985   7.8261       ?       ? 
1 1 1   12    2   16 o    132.4    1.9   175.4947   4.9803   175.4947   4.9803       ?       ? 
1 1 1   12    2   18 o    121.2    2.0   147.0361   4.7431   147.0361   4.7431       ?       ? 
1 1 1   12    2   20 o     99.3    2.3    98.6565   4.5059    98.6565   4.5059       ?       ? 
1 1 1   12    2   22 o    134.5    1.9   181.1864   5.2174   181.1864   5.2174       ?       ? 
1 1 1   12    2   24 o     91.7    2.1    84.1900   3.7945    84.1900   3.7945       ?       ? 
1 1 1   12    2   26 o     58.6    3.0    34.3875   3.5573    34.3875   3.5573       ?       ? 
1 1 1   12    2   28 f     21.6    7.6     4.2688   4.0316     4.2688   4.0316       ?       ? 
1 1 1   12    2   30 o     21.0    7.5     3.7945   4.0316     3.7945   4.0316       ?       ? 
1 1 1   12    2   32 o    108.9    2.1   118.8146   4.5059   118.8146   4.5059       ?       ? 
1 1 1   12    2   34 o     49.5    4.3    24.6641   4.2688    24.6641   4.2688       ?       ? 
1 1 1   12    2   36 o     36.5    5.5    13.5178   4.0316    13.5178   4.0316       ?       ? 
1 1 1   12    2   38 o     60.5    3.9    36.9962   4.7431    36.9962   4.7431       ?       ? 
1 1 1   12    2   40 o     47.8    5.0    23.2412   4.7431    23.2412   4.7431       ?       ? 
1 1 1   12    2   42 o     24.8    8.2     6.1660   4.7431     6.1660   4.7431       ?       ? 
1 1 1   12    3    1 o    279.9    3.4   784.5086  19.2096   784.5086  19.2096       ?       ? 
1 1 1   12    3    3 o    144.8    2.3   209.6450   6.6403   209.6450   6.6403       ?       ? 
1 1 1   12    3    5 o     98.4    3.9    96.9964   7.5890    96.9964   7.5890       ?       ? 
1 1 1   12    3    7 o    136.7    3.7   187.1153  10.1977   187.1153  10.1977       ?       ? 
1 1 1   12    3    9 o    133.2    2.5   177.6291   6.6403   177.6291   6.6403       ?       ? 
1 1 1   12    3   11 o    104.5    1.9   109.3284   4.0316   109.3284   4.0316       ?       ? 
1 1 1   12    3   13 o    210.0    2.1   441.3454   8.7747   441.3454   8.7747       ?       ? 
1 1 1   12    3   15 o     42.1    4.2    17.7866   3.5573    17.7866   3.5573       ?       ? 
1 1 1   12    3   17 o     91.7    2.3    84.1900   4.2688    84.1900   4.2688       ?       ? 
1 1 1   12    3   19 o    109.2    2.2   119.2889   4.7431   119.2889   4.7431       ?       ? 
1 1 1   12    3   21 o     22.9    7.3     5.2174   3.7945     5.2174   3.7945       ?       ? 
1 1 1   12    3   23 o    143.8    1.6   206.7991   4.7431   206.7991   4.7431       ?       ? 
1 1 1   12    3   25 o    131.6    1.8   173.3603   4.7431   173.3603   4.7431       ?       ? 
1 1 1   12    3   27 o    121.3    1.8   147.2732   4.2688   147.2732   4.2688       ?       ? 
1 1 1   12    3   29 o     60.7    3.3    36.9962   4.0316    36.9962   4.0316       ?       ? 
1 1 1   12    3   31 o     48.5    3.9    23.7155   3.7945    23.7155   3.7945       ?       ? 
1 1 1   12    3   33 o     75.6    3.0    57.3915   4.5059    57.3915   4.5059       ?       ? 
1 1 1   12    3   35 o     79.3    3.0    63.0832   4.7431    63.0832   4.7431       ?       ? 
1 1 1   12    3   37 o     91.0    2.9    83.2414   5.2174    83.2414   5.2174       ?       ? 
1 1 1   12    3   39 o     45.4    5.5    21.1068   4.9803    21.1068   4.9803       ?       ? 
1 1 1   12    3   41 o     19.9    7.8     2.6087   4.5059     2.6087   4.5059       ?       ? 
1 1 1   12    4    0 o    100.0    2.5   100.3165   4.9803   100.3165   4.9803     0.0     0.0 
1 1 1   12    4    2 o    278.2    4.7   776.2081  26.3242   776.2081  26.3242       ?       ? 
1 1 1   12    4    4 o    181.7    3.8   330.8312  13.9921   330.8312  13.9921       ?       ? 
1 1 1   12    4    6 o    123.0    2.6   151.3049   6.4032   151.3049   6.4032       ?       ? 
1 1 1   12    4    8 o    111.8    2.7   125.2178   5.9289   125.2178   5.9289       ?       ? 
1 1 1   12    4   10 o     76.3    3.0    58.3401   4.5059    58.3401   4.5059       ?       ? 
1 1 1   12    4   12 o     40.3    5.9    16.3637   4.7431    16.3637   4.7431       ?       ? 
1 1 1   12    4   14 o    194.9    1.9   380.1594   7.5890   380.1594   7.5890       ?       ? 
1 1 1   12    4   16 f    108.5    2.4   117.8660   5.2174   117.8660   5.2174       ?       ? 
1 1 1   12    4   18 o    164.8    2.2   271.7796   7.3518   271.7796   7.3518       ?       ? 
1 1 1   12    4   20 o    123.3    1.8   152.0163   4.5059   152.0163   4.5059       ?       ? 
1 1 1   12    4   22 o     79.1    2.4    62.6089   3.7945    62.6089   3.7945       ?       ? 
1 1 1   12    4   24 o     56.5    3.4    32.0159   3.7945    32.0159   3.7945       ?       ? 
1 1 1   12    4   26 o    107.5    2.1   115.7316   4.5059   115.7316   4.5059       ?       ? 
1 1 1   12    4   28 o    172.3    2.0   297.1552   6.8775   297.1552   6.8775       ?       ? 
1 1 1   12    4   30 o    104.1    2.3   108.6170   4.7431   108.6170   4.7431       ?       ? 
1 1 1   12    4   32 o     73.8    3.4    54.7828   4.9803    54.7828   4.9803       ?       ? 
1 1 1   12    4   34 o     70.4    3.5    49.8025   4.9803    49.8025   4.9803       ?       ? 
1 1 1   12    4   36 o     53.0    4.2    28.4586   4.5059    28.4586   4.5059       ?       ? 
1 1 1   12    4   38 o     32.9    9.8    11.8577   6.8775    11.8577   6.8775       ?       ? 
1 1 1   12    4   40 o     82.8    3.3    69.0121   5.4546    69.0121   5.4546       ?       ? 
1 1 1   12    5    3 o    269.2    3.4   726.1685  18.2609   726.1685  18.2609       ?       ? 
1 1 1   12    5    5 o     97.3    2.6    94.8620   4.9803    94.8620   4.9803       ?       ? 
1 1 1   12    5    7 o    135.0    2.6   182.3722   7.1146   182.3722   7.1146       ?       ? 
1 1 1   12    5   11 f    152.8    3.1   234.0719   9.4862   234.0719   9.4862       ?       ? 
1 1 1   12    5   13 o     59.3    4.0    35.3361   4.7431    35.3361   4.7431       ?       ? 
1 1 1   12    5   15 o    172.1    2.4   296.6808   8.3004   296.6808   8.3004       ?       ? 
1 1 1   12    5   17 o    177.2    2.0   314.2303   7.1146   314.2303   7.1146       ?       ? 
1 1 1   12    5   19 o     86.1    2.1    74.2295   3.5573    74.2295   3.5573       ?       ? 
1 1 1   12    5   21 o    122.4    1.7   149.8819   4.2688   149.8819   4.2688       ?       ? 
1 1 1   12    5   23 o    129.0    1.8   166.4828   4.7431   166.4828   4.7431       ?       ? 
1 1 1   12    5   25 o     56.7    3.1    32.2531   3.5573    32.2531   3.5573       ?       ? 
1 1 1   12    5   27 o    164.7    1.7   271.5424   5.4546   271.5424   5.4546       ?       ? 
1 1 1   12    5   29 f     80.6    2.6    65.2176   4.2688    65.2176   4.2688       ?       ? 
1 1 1   12    5   31 o    159.8    1.8   255.6531   5.6917   255.6531   5.6917       ?       ? 
1 1 1   12    5   33 o    102.7    2.4   105.7711   4.9803   105.7711   4.9803       ?       ? 
1 1 1   12    5   35 o     32.3    6.8    11.1463   4.2688    11.1463   4.2688       ?       ? 
1 1 1   12    5   37 o     83.2    3.6    69.9607   5.9289    69.9607   5.9289       ?       ? 
1 1 1   12    5   39 o     53.5    4.0    28.9329   4.2688    28.9329   4.2688       ?       ? 
1 1 1   12    6    2 o     45.3    4.2    20.6325   3.7945    20.6325   3.7945       ?       ? 
1 1 1   12    6    4 o     94.7    4.8    90.1189   9.0119    90.1189   9.0119       ?       ? 
1 1 1   12    6    6 o    298.5    4.1   894.0742  24.1898   894.0742  24.1898       ?       ? 
1 1 1   12    6    8 o     37.9    6.3    14.4665   4.7431    14.4665   4.7431       ?       ? 
1 1 1   12    6   10 o     51.6    4.8    26.7985   4.9803    26.7985   4.9803       ?       ? 
1 1 1   12    6   12 o    137.5    3.2   189.4868   8.7747   189.4868   8.7747       ?       ? 
1 1 1   12    6   14 o     39.4    6.0    15.6522   4.7431    15.6522   4.7431       ?       ? 
1 1 1   12    6   16 o    152.4    2.0   232.4119   6.1660   232.4119   6.1660       ?       ? 
1 1 1   12    6   18 o    237.7    2.1   565.3774   9.9605   565.3774   9.9605       ?       ? 
1 1 1   12    6   20 o    246.4    1.9   607.8281   9.4862   607.8281   9.4862       ?       ? 
1 1 1   12    6   22 o    127.8    1.8   163.3998   4.5059   163.3998   4.5059       ?       ? 
1 1 1   12    6   24 o    145.9    1.7   212.9652   4.9803   212.9652   4.9803       ?       ? 
1 1 1   12    6   26 o     47.5    4.2    22.7669   4.0316    22.7669   4.0316       ?       ? 
1 1 1   12    6   28 o     34.9    5.8    12.3321   4.0316    12.3321   4.0316       ?       ? 
1 1 1   12    6   30 o     75.3    3.0    56.9172   4.5059    56.9172   4.5059       ?       ? 
1 1 1   12    6   32 o     38.6    5.8    15.1779   4.5059    15.1779   4.5059       ?       ? 
1 1 1   12    6   34 o     89.9    2.8    81.3441   4.9803    81.3441   4.9803       ?       ? 
1 1 1   12    6   36 o     39.3    6.0    15.8894   4.7431    15.8894   4.7431       ?       ? 
1 1 1   12    6   38 o     55.9    4.0    31.5416   4.5059    31.5416   4.5059       ?       ? 
1 1 1   12    7    1 o    168.1    3.2   283.4002  10.6720   283.4002  10.6720       ?       ? 
1 1 1   12    7    3 o    149.3    3.4   223.4000  10.1977   223.4000  10.1977       ?       ? 
1 1 1   12    7    5 o     46.7    6.6    22.0554   6.1660    22.0554   6.1660       ?       ? 
1 1 1   12    7    7 o    108.3    3.8   117.6289   8.3004   117.6289   8.3004       ?       ? 
1 1 1   12    7    9 o     82.4    3.3    68.0635   5.4546    68.0635   5.4546       ?       ? 
1 1 1   12    7   11 o    103.9    3.1   108.1427   6.4032   108.1427   6.4032       ?       ? 
1 1 1   12    7   13 o     45.8   11.4    22.2926  10.4348    22.2926  10.4348       ?       ? 
1 1 1   12    7   15 f    104.7    2.4   109.8027   4.9803   109.8027   4.9803       ?       ? 
1 1 1   12    7   17 o    141.6    2.0   200.8702   5.6917   200.8702   5.6917       ?       ? 
1 1 1   12    7   19 f     15.9    6.9    -0.4743   4.0316    -0.4743   4.0316       ?       ? 
1 1 1   12    7   21 f     56.4    4.0    32.0159   4.5059    32.0159   4.5059       ?       ? 
1 1 1   12    7   23 o     24.8    8.4     5.9289   4.9803     5.9289   4.9803       ?       ? 
1 1 1   12    7   25 o     56.6    3.8    32.2531   4.2688    32.2531   4.2688       ?       ? 
1 1 1   12    7   27 o    104.9    2.3   110.2771   4.7431   110.2771   4.7431       ?       ? 
1 1 1   12    7   29 o    113.1    2.5   128.3008   5.6917   128.3008   5.6917       ?       ? 
1 1 1   12    7   31 o    123.8    2.4   153.9136   5.9289   153.9136   5.9289       ?       ? 
1 1 1   12    7   33 o    109.1    2.8   119.7633   6.1660   119.7633   6.1660       ?       ? 
1 1 1   12    7   35 o     55.2    4.3    30.8301   4.7431    30.8301   4.7431       ?       ? 
1 1 1   12    7   37 o     31.8    7.9    10.9091   4.9803    10.9091   4.9803       ?       ? 
1 1 1   12    8    0 o     61.4    4.7    38.4191   5.6917    38.4191   5.6917     0.0     0.0 
1 1 1   12    8    2 o     95.7    2.6    91.7790   4.9803    91.7790   4.9803       ?       ? 
1 1 1   12    8    4 o    128.4    2.3   165.0598   5.9289   165.0598   5.9289       ?       ? 
1 1 1   12    8    6 o    268.5    4.3   723.0854  23.0040   723.0854  23.0040       ?       ? 
1 1 1   12    8    8 o    137.8    4.6   190.6726  12.5692   190.6726  12.5692       ?       ? 
1 1 1   12    8   12 o     39.4    5.4    15.6522   4.2688    15.6522   4.2688       ?       ? 
1 1 1   12    8   14 o     97.8    2.4    95.8106   4.7431    95.8106   4.7431       ?       ? 
1 1 1   12    8   16 o    182.3    2.1   332.7284   7.5890   332.7284   7.5890       ?       ? 
1 1 1   12    8   18 o     45.8    4.4    21.1068   4.0316    21.1068   4.0316       ?       ? 
1 1 1   12    8   20 o    175.6    2.2   309.0129   7.8261   309.0129   7.8261       ?       ? 
1 1 1   12    8   22 o    115.1    2.4   132.8068   5.4546   132.8068   5.4546       ?       ? 
1 1 1   12    8   24 o     26.0    8.2     6.8775   4.7431     6.8775   4.7431       ?       ? 
1 1 1   12    8   26 o     25.8    7.9     6.8775   4.5059     6.8775   4.5059       ?       ? 
1 1 1   12    8   28 f     48.5    5.4    23.9527   5.2174    23.9527   5.2174       ?       ? 
1 1 1   12    8   30 o     66.7    3.2    44.8223   4.2688    44.8223   4.2688       ?       ? 
1 1 1   12    8   32 o     11.6    5.5    -4.5059   3.5573    -4.5059   3.5573       ?       ? 
1 1 1   12    8   34 o     20.9    8.3     2.6087   5.2174     2.6087   5.2174       ?       ? 
1 1 1   12    9    1 o     70.1    3.6    49.3282   4.9803    49.3282   4.9803       ?       ? 
1 1 1   12    9    3 o     54.9    4.3    30.3558   4.7431    30.3558   4.7431       ?       ? 
1 1 1   12    9    5 o     64.8    3.5    42.2136   4.5059    42.2136   4.5059       ?       ? 
1 1 1   12    9    7 o    302.0    2.6   914.2324  15.8894   914.2324  15.8894       ?       ? 
1 1 1   12    9    9 o    194.4    2.6   378.7365  10.1977   378.7365  10.1977       ?       ? 
1 1 1   12    9   11 o    142.5    2.4   203.4790   6.8775   203.4790   6.8775       ?       ? 
1 1 1   12    9   13 o     99.7    2.7    99.6051   5.4546    99.6051   5.4546       ?       ? 
1 1 1   12    9   15 o    104.5    2.8   109.5656   5.9289   109.5656   5.9289       ?       ? 
1 1 1   12    9   17 o    114.6    2.8   131.8582   6.4032   131.8582   6.4032       ?       ? 
1 1 1   12    9   19 o    101.0    3.2   102.4509   6.4032   102.4509   6.4032       ?       ? 
1 1 1   12    9   21 o    170.3    2.2   290.7520   7.5890   290.7520   7.5890       ?       ? 
1 1 1   12    9   23 o     17.5    7.6    -0.7115   4.9803    -0.7115   4.9803       ?       ? 
1 1 1   12    9   25 o     77.0    3.5    59.7631   5.4546    59.7631   5.4546       ?       ? 
1 1 1   12    9   27 o     20.1    7.3     3.5573   3.7945     3.5573   3.7945       ?       ? 
1 1 1   12    9   29 o     53.2    4.5    28.6958   4.7431    28.6958   4.7431       ?       ? 
1 1 1   12    9   31 o     47.0    5.6    22.5297   5.2174    22.5297   5.2174       ?       ? 
1 1 1   12   10    0 o     26.8   13.1    10.9091   8.3004    10.9091   8.3004     0.0     0.0 
1 1 1   12   10    2 o     50.4    4.7    25.6127   4.7431    25.6127   4.7431       ?       ? 
1 1 1   12   10    4 o    159.2    2.6   253.9930   8.3004   253.9930   8.3004       ?       ? 
1 1 1   12   10    6 o    151.2    2.5   229.3288   7.5890   229.3288   7.5890       ?       ? 
1 1 1   12   10    8 o    201.4    2.6   406.9579  10.4348   406.9579  10.4348       ?       ? 
1 1 1   12   10   10 o     71.2    3.8    50.9883   5.4546    50.9883   5.4546       ?       ? 
1 1 1   12   10   12 o    196.0    3.3   386.0883  12.8064   386.0883  12.8064       ?       ? 
1 1 1   12   10   14 o    111.5    2.6   124.7435   5.6917   124.7435   5.6917       ?       ? 
1 1 1   12   10   16 o     88.1    3.4    78.0240   5.9289    78.0240   5.9289       ?       ? 
1 1 1   12   10   18 o     41.5    6.3    17.5495   5.2174    17.5495   5.2174       ?       ? 
1 1 1   12   10   20 f    119.6    2.9   143.7159   6.8775   143.7159   6.8775       ?       ? 
1 1 1   12   10   22 o     32.4    8.4    11.3834   5.4546    11.3834   5.4546       ?       ? 
1 1 1   12   10   24 o     97.9    2.9    96.5221   5.6917    96.5221   5.6917       ?       ? 
1 1 1   12   10   26 o     12.4    6.0    -6.8775   4.5059    -6.8775   4.5059       ?       ? 
1 1 1   12   10   28 o     88.3    3.2    78.4983   5.6917    78.4983   5.6917       ?       ? 
1 1 1   12   11    1 o     85.6    3.0    73.5180   5.2174    73.5180   5.2174       ?       ? 
1 1 1   12   11    3 o     62.1    4.4    38.8934   5.4546    38.8934   5.4546       ?       ? 
1 1 1   12   11    5 o     90.1    3.2    81.5813   5.6917    81.5813   5.6917       ?       ? 
1 1 1   12   11    7 o    117.9    3.8   139.9214   9.0119   139.9214   9.0119       ?       ? 
1 1 1   12   11    9 o    132.4    2.8   175.7318   7.3518   175.7318   7.3518       ?       ? 
1 1 1   12   11   11 o     69.3    4.3    48.3796   5.9289    48.3796   5.9289       ?       ? 
1 1 1   12   11   13 o    139.5    2.7   195.4157   7.5890   195.4157   7.5890       ?       ? 
1 1 1   12   11   15 o     32.2    7.8    11.1463   4.9803    11.1463   4.9803       ?       ? 
1 1 1   12   11   17 o     34.8    7.4    13.0435   4.9803    13.0435   4.9803       ?       ? 
1 1 1   12   11   19 o     77.3    3.8    60.4745   5.9289    60.4745   5.9289       ?       ? 
1 1 1   12   11   21 o     45.3    6.0    21.1068   5.4546    21.1068   5.4546       ?       ? 
1 1 1   12   11   23 o     83.6    3.5    70.4350   5.9289    70.4350   5.9289       ?       ? 
1 1 1   12   11   25 o     41.4    6.3    17.5495   5.2174    17.5495   5.2174       ?       ? 
1 1 1   12   12    0 o     57.4    9.0    35.0989   9.7234    35.0989   9.7234     0.0     0.0 
1 1 1   12   12    2 o     64.8    5.8    43.3994   7.3518    43.3994   7.3518     0.0     0.0 
1 1 1   12   12    4 o    101.9    4.1   104.8225   8.3004   104.8225   8.3004     0.0     0.0 
1 1 1   12   12    6 o     25.0   14.4     9.0119  11.3834     9.0119  11.3834     0.0     0.0 
1 1 1   12   12    8 o     77.9    9.0    64.7433  13.7550    64.7433  13.7550     0.0     0.0 
1 1 1   12   12   10 o     28.2   11.3    11.3834   6.1660    11.3834   6.1660     0.0     0.0 
1 1 1   12   12   12 o     11.7    7.9    -1.8972   5.2174    -1.8972   5.2174     0.0     0.0 
1 1 1   12   12   14 o     24.4   12.1     9.2490   7.1146     9.2490   7.1146     0.0     0.0 
1 1 1   12   12   16 o     16.4   10.6     0.9486   7.8261     0.9486   7.8261     0.0     0.0 
1 1 1   12   12   18 f     21.1   12.2     6.1660   8.3004     6.1660   8.3004     0.0     0.0 
1 1 1   12   12   20 o     30.9   13.0    13.9921   8.0633    13.9921   8.0633     0.0     0.0 
1 1 1   13    0    1 o    182.7    4.7   334.8628  17.0752   334.8628  17.0752     0.0     0.0 
1 1 1   13    0    3 o    274.4    5.3   755.3386  28.9329   755.3386  28.9329     0.0     0.0 
1 1 1   13    0    5 o    239.3    5.5   575.1008  26.3242   575.1008  26.3242     0.0     0.0 
1 1 1   13    0    7 o    104.4    4.4   109.8027   9.2490   109.8027   9.2490     0.0     0.0 
1 1 1   13    0    9 o    239.1    5.4   573.9150  25.8499   573.9150  25.8499     0.0     0.0 
1 1 1   13    0   11 o    145.4    4.6   212.4908  13.2807   212.4908  13.2807     0.0     0.0 
1 1 1   13    0   13 o    142.3    2.8   202.7675   7.8261   202.7675   7.8261     0.0     0.0 
1 1 1   13    0   15 o     13.6    8.8     0.2372   5.4546     0.2372   5.4546     0.0     0.0 
1 1 1   13    0   17 o    204.6    3.5   419.5271  14.2293   419.5271  14.2293     0.0     0.0 
1 1 1   13    0   19 o     61.8    4.7    38.8934   5.6917    38.8934   5.6917     0.0     0.0 
1 1 1   13    0   21 o    232.3    3.7   540.7133  17.3123   540.7133  17.3123     0.0     0.0 
1 1 1   13    0   23 o    261.8    2.6   686.0893  13.5178   686.0893  13.5178     0.0     0.0 
1 1 1   13    0   25 o     50.3    6.0    26.5614   5.9289    26.5614   5.9289     0.0     0.0 
1 1 1   13    0   27 o     10.1    7.0    -4.2688   4.9803    -4.2688   4.9803     0.0     0.0 
1 1 1   13    0   29 o     26.3   11.6    10.1977   6.4032    10.1977   6.4032     0.0     0.0 
1 1 1   13    0   31 o    164.2    2.7   270.3567   8.7747   270.3567   8.7747     0.0     0.0 
1 1 1   13    0   33 o     13.0    9.0    -5.6917   7.8261    -5.6917   7.8261     0.0     0.0 
1 1 1   13    0   35 o     40.7    8.2    18.7352   5.9289    18.7352   5.9289     0.0     0.0 
1 1 1   13    0   37 o     34.8   12.1    16.3637   7.5890    16.3637   7.5890     0.0     0.0 
1 1 1   13    0   39 o     32.3   11.6    14.2293   6.8775    14.2293   6.8775     0.0     0.0 
1 1 1   13    1    0 o    117.2    4.5   138.2613  10.4348   138.2613  10.4348     0.0     0.0 
1 1 1   13    1    2 f    207.0    3.4   429.2505  13.9921   429.2505  13.9921       ?       ? 
1 1 1   13    1    4 o    270.8    3.5   734.4689  18.7352   734.4689  18.7352       ?       ? 
1 1 1   13    1    6 o    312.5    3.9   978.9756  24.4270   978.9756  24.4270       ?       ? 
1 1 1   13    1    8 o    340.2    4.3  1161.1107  28.9329  1161.1107  28.9329       ?       ? 
1 1 1   13    1   10 o    165.4    2.4   273.9140   7.8261   273.9140   7.8261       ?       ? 
1 1 1   13    1   12 o     77.8    3.2    60.7117   4.9803    60.7117   4.9803       ?       ? 
1 1 1   13    1   14 o     61.1    3.3    37.4705   4.0316    37.4705   4.0316       ?       ? 
1 1 1   13    1   16 o     45.1    4.5    20.3953   4.0316    20.3953   4.0316       ?       ? 
1 1 1   13    1   18 o    190.5    2.1   363.0843   8.0633   363.0843   8.0633       ?       ? 
1 1 1   13    1   20 o     78.5    3.0    61.6603   4.7431    61.6603   4.7431       ?       ? 
1 1 1   13    1   22 o     57.3    3.9    32.9645   4.5059    32.9645   4.5059       ?       ? 
1 1 1   13    1   24 o    131.8    1.8   173.8346   4.7431   173.8346   4.7431       ?       ? 
1 1 1   13    1   26 o     97.1    2.2    94.3877   4.2688    94.3877   4.2688       ?       ? 
1 1 1   13    1   28 o    118.0    2.1   139.4471   4.9803   139.4471   4.9803       ?       ? 
1 1 1   13    1   30 o    132.7    2.1   176.4433   5.4546   176.4433   5.4546       ?       ? 
1 1 1   13    1   32 o     75.1    3.6    56.6800   5.4546    56.6800   5.4546       ?       ? 
1 1 1   13    1   34 o     31.7    6.6    10.6720   4.0316    10.6720   4.0316       ?       ? 
1 1 1   13    1   36 o     64.4    4.2    41.9764   5.4546    41.9764   5.4546       ?       ? 
1 1 1   13    1   38 o     54.9    4.3    30.5930   4.7431    30.5930   4.7431       ?       ? 
1 1 1   13    1   40 o     40.0    6.2    16.3637   4.9803    16.3637   4.9803       ?       ? 
1 1 1   13    2    1 o    176.1    2.9   310.6730  10.1977   310.6730  10.1977       ?       ? 
1 1 1   13    2    3 o    198.0    2.9   392.4915  11.6206   392.4915  11.6206       ?       ? 
1 1 1   13    2    5 o    167.8    2.4   281.9773   8.0633   281.9773   8.0633       ?       ? 
1 1 1   13    2    7 f    146.3    3.2   214.3881   9.4862   214.3881   9.4862       ?       ? 
1 1 1   13    2    9 o     80.1    2.8    64.2690   4.5059    64.2690   4.5059       ?       ? 
1 1 1   13    2   11 o    194.5    2.7   378.9736  10.4348   378.9736  10.4348       ?       ? 
1 1 1   13    2   13 o     63.8    3.2    40.7907   4.0316    40.7907   4.0316       ?       ? 
1 1 1   13    2   15 o     87.3    2.6    76.3639   4.5059    76.3639   4.5059       ?       ? 
1 1 1   13    2   17 o    132.0    2.0   174.3089   5.2174   174.3089   5.2174       ?       ? 
1 1 1   13    2   19 o    118.3    2.1   140.1586   4.9803   140.1586   4.9803       ?       ? 
1 1 1   13    2   21 o     69.5    3.2    48.3796   4.5059    48.3796   4.5059       ?       ? 
1 1 1   13    2   23 o     54.5    3.9    29.8815   4.2688    29.8815   4.2688       ?       ? 
1 1 1   13    2   25 o    148.5    1.8   220.7913   5.4546   220.7913   5.4546       ?       ? 
1 1 1   13    2   27 o    112.3    2.3   126.4036   5.2174   126.4036   5.2174       ?       ? 
1 1 1   13    2   29 o     38.7    5.5    15.1779   4.2688    15.1779   4.2688       ?       ? 
1 1 1   13    2   31 o    108.2    2.2   117.3917   4.7431   117.3917   4.7431       ?       ? 
1 1 1   13    2   33 o    164.4    2.0   270.8310   6.6403   270.8310   6.6403       ?       ? 
1 1 1   13    2   35 o     12.2    6.0   -10.9091   5.2174   -10.9091   5.2174       ?       ? 
1 1 1   13    2   37 o     12.9    6.2    -6.8775   4.7431    -6.8775   4.7431       ?       ? 
1 1 1   13    2   39 o     74.3    3.2    55.4943   4.7431    55.4943   4.7431       ?       ? 
1 1 1   13    3    0 o     46.8    5.2    22.7669   4.7431    22.7669   4.7431     0.0     0.0 
1 1 1   13    3    2 o    322.8    3.7  1044.9048  23.9527  1044.9048  23.9527       ?       ? 
1 1 1   13    3    4 o    157.5    2.4   248.3012   7.5890   248.3012   7.5890       ?       ? 
1 1 1   13    3    6 o    139.3    4.9   194.9414  13.7550   194.9414  13.7550       ?       ? 
1 1 1   13    3    8 o     40.7    3.5    16.6008   2.8459    16.6008   2.8459       ?       ? 
1 1 1   13    3   10 o    146.6    1.9   215.0995   5.4546   215.0995   5.4546       ?       ? 
1 1 1   13    3   12 o    172.2    2.0   296.9180   6.8775   296.9180   6.8775       ?       ? 
1 1 1   13    3   14 o    100.8    2.2   101.7395   4.5059   101.7395   4.5059       ?       ? 
1 1 1   13    3   16 o    175.2    2.1   307.3528   7.3518   307.3528   7.3518       ?       ? 
1 1 1   13    3   18 o    151.2    1.9   228.6174   5.6917   228.6174   5.6917       ?       ? 
1 1 1   13    3   20 o    166.6    2.0   277.9456   6.6403   277.9456   6.6403       ?       ? 
1 1 1   13    3   22 o     82.0    2.6    67.3520   4.2688    67.3520   4.2688       ?       ? 
1 1 1   13    3   24 o     59.9    3.6    36.0476   4.2688    36.0476   4.2688       ?       ? 
1 1 1   13    3   26 f     32.5    6.8    11.1463   4.2688    11.1463   4.2688       ?       ? 
1 1 1   13    3   28 o     14.5    6.5    -1.4229   3.7945    -1.4229   3.7945       ?       ? 
1 1 1   13    3   30 o     78.1    2.9    61.1860   4.5059    61.1860   4.5059       ?       ? 
1 1 1   13    3   32 o     92.6    2.6    86.0872   4.7431    86.0872   4.7431       ?       ? 
1 1 1   13    3   34 o     64.8    4.0    42.4507   5.2174    42.4507   5.2174       ?       ? 
1 1 1   13    3   36 o     46.1    5.9    21.8183   5.4546    21.8183   5.4546       ?       ? 
1 1 1   13    3   38 o     64.1    3.7    41.5021   4.7431    41.5021   4.7431       ?       ? 
1 1 1   13    4    1 o    145.9    3.1   213.4395   9.0119   213.4395   9.0119       ?       ? 
1 1 1   13    4    3 o     95.4    4.0    91.3047   7.5890    91.3047   7.5890       ?       ? 
1 1 1   13    4    5 o     52.7    5.9    27.9843   6.1660    27.9843   6.1660       ?       ? 
1 1 1   13    4    7 o     85.6    5.1    73.7552   8.7747    73.7552   8.7747       ?       ? 
1 1 1   13    4    9 o     64.9    3.3    42.2136   4.2688    42.2136   4.2688       ?       ? 
1 1 1   13    4   11 o    188.1    2.6   354.3095   9.9605   354.3095   9.9605       ?       ? 
1 1 1   13    4   13 o    195.6    2.5   383.0052   9.9605   383.0052   9.9605       ?       ? 
1 1 1   13    4   15 o    142.9    1.8   204.1904   5.2174   204.1904   5.2174       ?       ? 
1 1 1   13    4   17 o     39.5    4.8    15.6522   3.7945    15.6522   3.7945       ?       ? 
1 1 1   13    4   19 o     93.1    2.4    86.7987   4.5059    86.7987   4.5059       ?       ? 
1 1 1   13    4   21 o     74.9    2.7    56.2057   4.0316    56.2057   4.0316       ?       ? 
1 1 1   13    4   23 o     65.4    3.8    42.9250   4.9803    42.9250   4.9803       ?       ? 
1 1 1   13    4   25 o     69.4    3.4    48.3796   4.7431    48.3796   4.7431       ?       ? 
1 1 1   13    4   27 o     44.1    4.8    19.6839   4.2688    19.6839   4.2688       ?       ? 
1 1 1   13    4   29 o     65.5    3.8    43.1622   4.9803    43.1622   4.9803       ?       ? 
1 1 1   13    4   31 o     94.4    2.8    89.4074   5.2174    89.4074   5.2174       ?       ? 
1 1 1   13    4   33 o     37.2    7.0    14.7036   4.9803    14.7036   4.9803       ?       ? 
1 1 1   13    4   35 o     24.0    8.9     4.9803   5.6917     4.9803   5.6917       ?       ? 
1 1 1   13    4   37 o     78.5    3.3    62.1346   5.2174    62.1346   5.2174       ?       ? 
1 1 1   13    5    2 o     35.3    5.7    12.5692   4.0316    12.5692   4.0316       ?       ? 
1 1 1   13    5    4 o    198.4    4.9   395.8116  19.4467   395.8116  19.4467       ?       ? 
1 1 1   13    5    6 o    135.3    2.6   183.3208   7.1146   183.3208   7.1146       ?       ? 
1 1 1   13    5    8 o    194.8    2.9   379.9222  11.1463   379.9222  11.1463       ?       ? 
1 1 1   13    5   10 f    112.4    2.8   126.4036   6.4032   126.4036   6.4032       ?       ? 
1 1 1   13    5   12 o    148.1    2.6   219.6055   7.5890   219.6055   7.5890       ?       ? 
1 1 1   13    5   14 o    154.3    2.9   238.5779   9.0119   238.5779   9.0119       ?       ? 
1 1 1   13    5   16 o    162.1    2.9   263.2420   9.4862   263.2420   9.4862       ?       ? 
1 1 1   13    5   18 o    196.6    2.1   387.0369   8.3004   387.0369   8.3004       ?       ? 
1 1 1   13    5   20 o     50.5    3.8    25.6127   3.7945    25.6127   3.7945       ?       ? 
1 1 1   13    5   22 o     90.5    2.1    82.0556   3.7945    82.0556   3.7945       ?       ? 
1 1 1   13    5   24 o    123.6    1.9   152.9650   4.7431   152.9650   4.7431       ?       ? 
1 1 1   13    5   26 o    131.4    2.1   172.8860   5.4546   172.8860   5.4546       ?       ? 
1 1 1   13    5   28 o     39.3    5.4    15.6522   4.2688    15.6522   4.2688       ?       ? 
1 1 1   13    5   30 o     33.6    6.2    11.8577   4.0316    11.8577   4.0316       ?       ? 
1 1 1   13    5   32 o     14.3    6.9    -8.7747   5.9289    -8.7747   5.9289       ?       ? 
1 1 1   13    5   34 o    101.4    2.7   103.3996   5.4546   103.3996   5.4546       ?       ? 
1 1 1   13    5   36 o     38.8    5.8    15.4151   4.5059    15.4151   4.5059       ?       ? 
1 1 1   13    6    3 o    193.1    3.6   373.5191  13.9921   373.5191  13.9921       ?       ? 
1 1 1   13    6    5 o    189.1    3.6   358.3412  13.7550   358.3412  13.7550       ?       ? 
1 1 1   13    6    7 o    192.2    2.8   369.7246  10.9091   369.7246  10.9091       ?       ? 
1 1 1   13    6    9 o    958.1   11.1  9376.8701 212.0165  9376.8701 212.0165       ?       ? 
1 1 1   13    6   13 o     16.5    7.2    -0.9486   4.5059    -0.9486   4.5059       ?       ? 
1 1 1   13    6   15 o     70.6    3.9    50.0397   5.4546    50.0397   5.4546       ?       ? 
1 1 1   13    6   17 o     48.4    6.1    23.7155   5.9289    23.7155   5.9289       ?       ? 
1 1 1   13    6   19 o     96.3    3.1    92.9647   5.9289    92.9647   5.9289       ?       ? 
1 1 1   13    6   21 o     75.7    2.5    57.3915   3.7945    57.3915   3.7945       ?       ? 
1 1 1   13    6   23 o    103.3    2.0   106.9569   4.0316   106.9569   4.0316       ?       ? 
1 1 1   13    6   25 o     24.0    7.3     5.9289   3.7945     5.9289   3.7945       ?       ? 
1 1 1   13    6   27 o     67.0    3.2    45.0594   4.2688    45.0594   4.2688       ?       ? 
1 1 1   13    6   29 o     53.7    4.2    29.1701   4.5059    29.1701   4.5059       ?       ? 
1 1 1   13    6   31 o     82.1    3.6    68.0635   5.9289    68.0635   5.9289       ?       ? 
1 1 1   13    6   33 o     42.2    5.9    18.2609   4.9803    18.2609   4.9803       ?       ? 
1 1 1   13    6   35 o     21.7    8.1     3.7945   4.7431     3.7945   4.7431       ?       ? 
1 1 1   13    7    2 o    141.2    3.1   199.6845   8.7747   199.6845   8.7747       ?       ? 
1 1 1   13    7    4 o     17.8    7.6     0.0000   4.7431     0.0000   4.7431       ?       ? 
1 1 1   13    7    6 o    202.6    4.1   412.4125  16.6008   412.4125  16.6008       ?       ? 
1 1 1   13    7    8 o    123.2    4.4   152.7278  10.9091   152.7278  10.9091       ?       ? 
1 1 1   13    7   10 f    129.8    3.0   169.0915   7.8261   169.0915   7.8261       ?       ? 
1 1 1   13    7   12 o     51.5    5.3    26.7985   5.4546    26.7985   5.4546       ?       ? 
1 1 1   13    7   14 o     36.2    7.1    13.7550   4.9803    13.7550   4.9803       ?       ? 
1 1 1   13    7   16 f    144.5    3.1   209.4078   9.0119   209.4078   9.0119       ?       ? 
1 1 1   13    7   18 o    197.9    2.1   392.4915   8.3004   392.4915   8.3004       ?       ? 
1 1 1   13    7   20 o     80.3    3.0    64.7433   4.7431    64.7433   4.7431       ?       ? 
1 1 1   13    7   22 o     39.8    6.6    16.1265   5.2174    16.1265   5.2174       ?       ? 
1 1 1   13    7   24 o     87.8    3.0    77.3125   5.2174    77.3125   5.2174       ?       ? 
1 1 1   13    7   26 o     59.4    3.8    35.5732   4.5059    35.5732   4.5059       ?       ? 
1 1 1   13    7   28 o     57.9    4.1    33.9132   4.7431    33.9132   4.7431       ?       ? 
1 1 1   13    7   30 o     77.8    3.2    60.9488   4.9803    60.9488   4.9803       ?       ? 
1 1 1   13    7   32 o    196.6    2.2   387.7484   8.7747   387.7484   8.7747       ?       ? 
1 1 1   13    8    1 o    122.0    1.9   148.9333   4.7431   148.9333   4.7431       ?       ? 
1 1 1   13    8    3 o     72.2    5.3    52.6484   7.5890    52.6484   7.5890       ?       ? 
1 1 1   13    8    5 o    107.9    4.2   117.1546   9.0119   117.1546   9.0119       ?       ? 
1 1 1   13    8    7 o     29.3   10.9     7.1146   8.5376     7.1146   8.5376       ?       ? 
1 1 1   13    8    9 o     52.0    7.1    27.5100   7.3518    27.5100   7.3518       ?       ? 
1 1 1   13    8   11 o     82.7    4.7    69.0121   7.8261    69.0121   7.8261       ?       ? 
1 1 1   13    8   13 f     21.2    8.5     2.3715   5.4546     2.3715   5.4546       ?       ? 
1 1 1   13    8   15 o     30.0    8.9     9.4862   5.6917     9.4862   5.6917       ?       ? 
1 1 1   13    8   17 o     66.5    3.0    44.3480   4.0316    44.3480   4.0316       ?       ? 
1 1 1   13    8   19 o    102.7    2.5   105.7711   5.2174   105.7711   5.2174       ?       ? 
1 1 1   13    8   21 o    149.5    2.2   223.8743   6.6403   223.8743   6.6403       ?       ? 
1 1 1   13    8   23 o    106.7    2.7   114.3087   5.6917   114.3087   5.6917       ?       ? 
1 1 1   13    8   25 o     17.6    7.8    -1.4229   5.4546    -1.4229   5.4546       ?       ? 
1 1 1   13    8   27 o    105.1    3.2   111.2257   6.6403   111.2257   6.6403       ?       ? 
1 1 1   13    8   29 o     84.2    3.4    71.3836   5.6917    71.3836   5.6917       ?       ? 
1 1 1   13    8   31 o     23.8    8.2     5.4546   4.7431     5.4546   4.7431       ?       ? 
1 1 1   13    9    0 o     21.4   11.5     6.8775   6.6403     6.8775   6.6403     0.0     0.0 
1 1 1   13    9    2 o     94.2    2.8    88.9331   5.2174    88.9331   5.2174       ?       ? 
1 1 1   13    9    4 o     71.3    2.2    50.9883   3.0830    50.9883   3.0830       ?       ? 
1 1 1   13    9    6 o     68.4    5.5    47.4310   7.5890    47.4310   7.5890       ?       ? 
1 1 1   13    9    8 o     60.7    6.1    37.4705   7.3518    37.4705   7.3518       ?       ? 
1 1 1   13    9   10 o    169.5    4.0   289.3290  13.5178   289.3290  13.5178       ?       ? 
1 1 1   13    9   12 o     53.4    7.3    29.1701   7.8261    29.1701   7.8261       ?       ? 
1 1 1   13    9   14 f     63.4    4.3    40.5535   5.4546    40.5535   5.4546       ?       ? 
1 1 1   13    9   16 o     21.8    7.8     4.2688   4.2688     4.2688   4.2688       ?       ? 
1 1 1   13    9   18 o     75.0    3.0    56.4429   4.5059    56.4429   4.5059       ?       ? 
1 1 1   13    9   20 o     54.1    4.6    29.6444   4.9803    29.6444   4.9803       ?       ? 
1 1 1   13    9   22 o     42.5    7.0    18.7352   5.9289    18.7352   5.9289       ?       ? 
1 1 1   13    9   24 o    109.7    2.5   120.9490   5.4546   120.9490   5.4546       ?       ? 
1 1 1   13    9   26 o    101.8    2.7   104.1110   5.4546   104.1110   5.4546       ?       ? 
1 1 1   13    9   28 o     91.2    3.0    83.7157   5.4546    83.7157   5.4546       ?       ? 
1 1 1   13   10    1 o    143.0    2.7   205.1390   7.5890   205.1390   7.5890       ?       ? 
1 1 1   13   10    3 o    117.0    2.7   137.3127   6.4032   137.3127   6.4032       ?       ? 
1 1 1   13   10    5 o    121.2    2.4   147.2732   5.9289   147.2732   5.9289       ?       ? 
1 1 1   13   10    7 o    186.9    2.1   349.8036   7.8261   349.8036   7.8261       ?       ? 
1 1 1   13   10    9 o    103.5    2.2   107.4312   4.5059   107.4312   4.5059       ?       ? 
1 1 1   13   10   11 o     55.2    4.7    30.8301   5.2174    30.8301   5.2174       ?       ? 
1 1 1   13   10   13 o     81.7    3.3    67.1149   5.4546    67.1149   5.4546       ?       ? 
1 1 1   13   10   15 o     71.9    3.6    52.1741   5.2174    52.1741   5.2174       ?       ? 
1 1 1   13   10   17 o     18.9    8.1     0.2372   5.4546     0.2372   5.4546       ?       ? 
1 1 1   13   10   19 o    128.7    2.9   166.7199   7.5890   166.7199   7.5890       ?       ? 
1 1 1   13   10   21 o     40.5    5.9    16.8380   4.7431    16.8380   4.7431       ?       ? 
1 1 1   13   10   23 o     94.6    3.1    90.1189   5.9289    90.1189   5.9289       ?       ? 
1 1 1   13   11    0 o     57.9    6.3    35.0989   7.1146    35.0989   7.1146     0.0     0.0 
1 1 1   13   11    2 o     76.4    3.7    58.8144   5.6917    58.8144   5.6917       ?       ? 
1 1 1   13   11    4 o    136.3    3.0   186.8781   8.0633   186.8781   8.0633       ?       ? 
1 1 1   13   11    6 o     98.7    3.2    98.1822   6.4032    98.1822   6.4032       ?       ? 
1 1 1   13   11    8 o     27.0    7.6     7.8261   4.2688     7.8261   4.2688       ?       ? 
1 1 1   13   11   10 o     77.8    4.0    61.1860   6.1660    61.1860   6.1660       ?       ? 
1 1 1   13   11   12 o     70.4    6.7    51.2255   9.4862    51.2255   9.4862       ?       ? 
1 1 1   13   11   14 o     40.7    6.4    17.0752   5.2174    17.0752   5.2174       ?       ? 
1 1 1   13   11   16 f     90.5    3.4    82.5299   6.1660    82.5299   6.1660       ?       ? 
1 1 1   13   11   18 o     95.6    3.3    92.0161   6.4032    92.0161   6.4032       ?       ? 
1 1 1   13   11   20 o     31.2    9.0    10.4348   5.9289    10.4348   5.9289       ?       ? 
1 1 1   13   12    1 o     46.2    5.4    21.8183   4.9803    21.8183   4.9803       ?       ? 
1 1 1   13   12    3 o     55.5    5.8    31.5416   6.4032    31.5416   6.4032       ?       ? 
1 1 1   13   12    5 o     70.7    4.7    50.7512   6.6403    50.7512   6.6403       ?       ? 
1 1 1   13   12    7 o    134.2    3.1   181.4235   8.3004   181.4235   8.3004       ?       ? 
1 1 1   13   12    9 f     65.5    4.3    43.3994   5.6917    43.3994   5.6917       ?       ? 
1 1 1   13   12   11 o     46.3    6.7    22.0554   6.1660    22.0554   6.1660       ?       ? 
1 1 1   13   12   13 o     54.3    6.1    30.1187   6.6403    30.1187   6.6403       ?       ? 
1 1 1   14    0    0 o     19.9   11.4     5.2174   7.1146     5.2174   7.1146     0.0     0.0 
1 1 1   14    0    2 o     17.6   10.5     3.5573   6.4032     3.5573   6.4032     0.0     0.0 
1 1 1   14    0    4 o     85.1    4.9    73.2809   8.3004    73.2809   8.3004     0.0     0.0 
1 1 1   14    0    6 o    348.4    6.0  1219.4508  41.9764  1219.4508  41.9764     0.0     0.0 
1 1 1   14    0    8 o     17.8   11.5     0.9486   9.0119     0.9486   9.0119     0.0     0.0 
1 1 1   14    0   10 o     92.8    5.4    87.2730   9.9605    87.2730   9.9605     0.0     0.0 
1 1 1   14    0   12 o     74.4    6.3    56.6800   9.2490    56.6800   9.2490     0.0     0.0 
1 1 1   14    0   14 o     31.0   13.0    13.7550   8.0633    13.7550   8.0633     0.0     0.0 
1 1 1   14    0   16 o     18.2   10.9     3.7945   6.8775     3.7945   6.8775     0.0     0.0 
1 1 1   14    0   18 o    127.5    3.6   163.3998   9.2490   163.3998   9.2490     0.0     0.0 
1 1 1   14    0   20 o     59.0    7.0    36.5219   8.0633    36.5219   8.0633     0.0     0.0 
1 1 1   14    0   22 o     14.8    9.2     1.8972   5.2174     1.8972   5.2174     0.0     0.0 
1 1 1   14    0   24 o     13.8    9.0     0.2372   5.6917     0.2372   5.6917     0.0     0.0 
1 1 1   14    0   26 o     73.0    4.4    54.0713   6.4032    54.0713   6.4032     0.0     0.0 
1 1 1   14    0   28 o     56.7    5.3    33.2017   5.9289    33.2017   5.9289     0.0     0.0 
1 1 1   14    0   30 o    247.9    5.0   619.4488  24.9013   619.4488  24.9013     0.0     0.0 
1 1 1   14    0   32 o     72.0    6.3    53.8342   9.0119    53.8342   9.0119     0.0     0.0 
1 1 1   14    0   34 o     33.2   10.9    14.4665   6.4032    14.4665   6.4032     0.0     0.0 
1 1 1   14    0   36 o     17.6   10.6     3.5573   6.6403     3.5573   6.6403     0.0     0.0 
1 1 1   14    1    1 o     16.2    7.1    -0.7115   4.2688    -0.7115   4.2688       ?       ? 
1 1 1   14    1    3 o    103.7    2.5   107.6684   5.2174   107.6684   5.2174       ?       ? 
1 1 1   14    1    5 o    102.5    3.1   105.2968   6.4032   105.2968   6.4032       ?       ? 
1 1 1   14    1    7 o     32.6    8.9    11.1463   5.9289    11.1463   5.9289       ?       ? 
1 1 1   14    1    9 o     20.2    8.9    -1.6601   6.8775    -1.6601   6.8775       ?       ? 
1 1 1   14    1   11 o    124.5    2.7   155.0993   6.6403   155.0993   6.6403       ?       ? 
1 1 1   14    1   13 o    181.9    3.0   331.3055  10.9091   331.3055  10.9091       ?       ? 
1 1 1   14    1   15 o    114.5    2.5   131.3839   5.6917   131.3839   5.6917       ?       ? 
1 1 1   14    1   17 o    132.1    2.4   174.7832   6.4032   174.7832   6.4032       ?       ? 
1 1 1   14    1   19 o     78.2    3.2    61.4231   4.9803    61.4231   4.9803       ?       ? 
1 1 1   14    1   21 o    134.7    2.2   181.6607   5.9289   181.6607   5.9289       ?       ? 
1 1 1   14    1   23 o     84.7    3.2    72.0951   5.4546    72.0951   5.4546       ?       ? 
1 1 1   14    1   25 o     60.7    3.5    36.9962   4.2688    36.9962   4.2688       ?       ? 
1 1 1   14    1   27 o     45.0    4.7    20.3953   4.2688    20.3953   4.2688       ?       ? 
1 1 1   14    1   29 o     75.4    3.0    57.1543   4.5059    57.1543   4.5059       ?       ? 
1 1 1   14    1   31 o     15.5    7.4    -7.1146   6.1660    -7.1146   6.1660       ?       ? 
1 1 1   14    1   33 o     79.9    5.6    65.4548   9.0119    65.4548   9.0119       ?       ? 
1 1 1   14    1   35 o     64.8    4.0    42.4507   5.2174    42.4507   5.2174       ?       ? 
1 1 1   14    2    0 o    191.0    3.8   365.6929  14.4665   365.6929  14.4665     0.0     0.0 
1 1 1   14    2    2 f     68.4    3.8    46.9567   5.2174    46.9567   5.2174       ?       ? 
1 1 1   14    2    4 o    145.3    2.3   211.3051   6.6403   211.3051   6.6403       ?       ? 
1 1 1   14    2    6 o    107.4    2.2   115.4945   4.7431   115.4945   4.7431       ?       ? 
1 1 1   14    2    8 o     48.9    4.4    23.9527   4.2688    23.9527   4.2688       ?       ? 
1 1 1   14    2   10 o     13.7    6.1    -1.1858   3.3202    -1.1858   3.3202       ?       ? 
1 1 1   14    2   12 o    185.8    3.6   346.0091  13.5178   346.0091  13.5178       ?       ? 
1 1 1   14    2   14 o     21.5    8.5     2.6087   5.4546     2.6087   5.4546       ?       ? 
1 1 1   14    2   16 o    206.7    2.4   428.0647   9.9605   428.0647   9.9605       ?       ? 
1 1 1   14    2   18 o     93.8    2.7    88.2216   4.9803    88.2216   4.9803       ?       ? 
1 1 1   14    2   20 o    209.8    2.0   440.6339   8.3004   440.6339   8.3004       ?       ? 
1 1 1   14    2   22 o     63.1    3.9    40.0792   4.9803    40.0792   4.9803       ?       ? 
1 1 1   14    2   24 o     49.7    4.8    24.9013   4.7431    24.9013   4.7431       ?       ? 
1 1 1   14    2   26 o     93.9    2.8    88.4588   5.2174    88.4588   5.2174       ?       ? 
1 1 1   14    2   28 o     93.4    2.8    87.5102   5.2174    87.5102   5.2174       ?       ? 
1 1 1   14    2   30 o    142.4    2.2   203.4790   6.4032   203.4790   6.4032       ?       ? 
1 1 1   14    2   32 o    124.7    3.5   156.9966   8.7747   156.9966   8.7747       ?       ? 
1 1 1   14    2   34 o     83.0    3.3    69.4864   5.4546    69.4864   5.4546       ?       ? 
1 1 1   14    2   36 o     60.1    4.1    36.5219   4.9803    36.5219   4.9803       ?       ? 
1 1 1   14    3    1 o     11.8    5.7    -7.3518   4.2688    -7.3518   4.2688       ?       ? 
1 1 1   14    3    3 o     38.6    5.2    14.9408   4.0316    14.9408   4.0316       ?       ? 
1 1 1   14    3    5 o     65.3    3.1    42.6879   4.0316    42.6879   4.0316       ?       ? 
1 1 1   14    3    7 o     43.2    3.8    18.7352   3.3202    18.7352   3.3202       ?       ? 
1 1 1   14    3    9 o     70.7    2.2    50.0397   3.0830    50.0397   3.0830       ?       ? 
1 1 1   14    3   11 o     70.7    5.5    50.2769   7.8261    50.2769   7.8261       ?       ? 
1 1 1   14    3   13 o     89.5    3.2    80.3955   5.6917    80.3955   5.6917       ?       ? 
1 1 1   14    3   15 o     45.5    4.4    20.8696   4.0316    20.8696   4.0316       ?       ? 
1 1 1   14    3   17 o     76.7    3.1    59.0516   4.7431    59.0516   4.7431       ?       ? 
1 1 1   14    3   19 o    166.9    2.1   278.8942   6.8775   278.8942   6.8775       ?       ? 
1 1 1   14    3   21 o    102.5    2.5   105.2968   5.2174   105.2968   5.2174       ?       ? 
1 1 1   14    3   23 o     22.2    7.8     4.5059   4.2688     4.5059   4.2688       ?       ? 
1 1 1   14    3   25 o     39.9    5.3    16.1265   4.2688    16.1265   4.2688       ?       ? 
1 1 1   14    3   27 o    150.9    2.1   228.1431   6.4032   228.1431   6.4032       ?       ? 
1 1 1   14    3   29 o     18.8    8.3    -0.9486   5.9289    -0.9486   5.9289       ?       ? 
1 1 1   14    3   31 o    101.8    2.7   104.1110   5.4546   104.1110   5.4546       ?       ? 
1 1 1   14    3   33 o     80.9    2.9    65.9291   4.7431    65.9291   4.7431       ?       ? 
1 1 1   14    3   35 o     62.5    3.6    39.3677   4.5059    39.3677   4.5059       ?       ? 
1 1 1   14    4    0 o     10.6    7.2    -1.6601   4.2688    -1.6601   4.2688     0.0     0.0 
1 1 1   14    4    2 o    195.6    4.4   383.9539  17.3123   383.9539  17.3123       ?       ? 
1 1 1   14    4    4 o    145.0    4.3   211.0679  12.3321   211.0679  12.3321       ?       ? 
1 1 1   14    4    6 o     84.0    4.7    70.9093   7.8261    70.9093   7.8261       ?       ? 
1 1 1   14    4    8 o    185.7    3.9   346.0091  14.4665   346.0091  14.4665       ?       ? 
1 1 1   14    4   10 o    141.6    2.5   200.8702   7.1146   200.8702   7.1146       ?       ? 
1 1 1   14    4   12 o     66.0    4.5    43.8737   5.9289    43.8737   5.9289       ?       ? 
1 1 1   14    4   14 o     78.2    3.6    61.4231   5.6917    61.4231   5.6917       ?       ? 
1 1 1   14    4   16 o     93.6    2.2    87.7473   4.0316    87.7473   4.0316       ?       ? 
1 1 1   14    4   18 o    100.5    2.4   101.2652   4.7431   101.2652   4.7431       ?       ? 
1 1 1   14    4   20 o     93.3    2.3    87.2730   4.2688    87.2730   4.2688       ?       ? 
1 1 1   14    4   22 o    152.8    2.0   233.8348   6.1660   233.8348   6.1660       ?       ? 
1 1 1   14    4   24 o     72.7    3.6    53.1227   5.2174    53.1227   5.2174       ?       ? 
1 1 1   14    4   26 o     66.3    4.1    44.3480   5.4546    44.3480   5.4546       ?       ? 
1 1 1   14    4   28 o     29.0    8.2     9.0119   4.9803     9.0119   4.9803       ?       ? 
1 1 1   14    4   30 o    104.8    2.8   110.5142   5.9289   110.5142   5.9289       ?       ? 
1 1 1   14    4   32 o     27.9    8.5     8.3004   5.2174     8.3004   5.2174       ?       ? 
1 1 1   14    4   34 o    122.1    2.7   149.8819   6.6403   149.8819   6.6403       ?       ? 
1 1 1   14    5    3 o     17.1    7.1     0.7115   4.0316     0.7115   4.0316       ?       ? 
1 1 1   14    5    5 f     60.9    5.8    37.4705   7.1146    37.4705   7.1146       ?       ? 
1 1 1   14    5    7 o    126.1    2.5   159.3681   6.4032   159.3681   6.4032       ?       ? 
1 1 1   14    5    9 o    119.5    2.9   143.2416   6.8775   143.2416   6.8775       ?       ? 
1 1 1   14    5   11 o     71.0    4.2    50.7512   5.9289    50.7512   5.9289       ?       ? 
1 1 1   14    5   13 o     47.4    6.3    22.7669   5.9289    22.7669   5.9289       ?       ? 
1 1 1   14    5   15 o     65.9    4.0    43.6365   5.2174    43.6365   5.2174       ?       ? 
1 1 1   14    5   17 o     24.1    8.6     5.2174   5.2174     5.2174   5.2174       ?       ? 
1 1 1   14    5   19 o     52.3    3.9    27.5100   4.0316    27.5100   4.0316       ?       ? 
1 1 1   14    5   21 o     84.6    2.7    71.8579   4.5059    71.8579   4.5059       ?       ? 
1 1 1   14    5   23 o    141.4    2.0   200.1588   5.6917   200.1588   5.6917       ?       ? 
1 1 1   14    5   25 o     33.9    6.5    12.0949   4.2688    12.0949   4.2688       ?       ? 
1 1 1   14    5   27 o     63.1    3.4    40.0792   4.2688    40.0792   4.2688       ?       ? 
1 1 1   14    5   29 o     30.7    7.7    10.1977   4.7431    10.1977   4.7431       ?       ? 
1 1 1   14    5   31 o     30.8    7.4    10.1977   4.5059    10.1977   4.5059       ?       ? 
1 1 1   14    5   33 o     21.2    8.4     2.8459   5.2174     2.8459   5.2174       ?       ? 
1 1 1   14    6    6 o     71.1    5.0    50.9883   7.1146    50.9883   7.1146       ?       ? 
1 1 1   14    6    8 o     25.8    7.7     6.8775   4.2688     6.8775   4.2688       ?       ? 
1 1 1   14    6   10 o     16.5    7.6    -4.0316   5.6917    -4.0316   5.6917       ?       ? 
1 1 1   14    6   12 o    113.7    2.8   129.7238   6.4032   129.7238   6.4032       ?       ? 
1 1 1   14    6   14 o     26.3    8.2     7.1146   4.7431     7.1146   4.7431       ?       ? 
1 1 1   14    6   16 o     77.6    4.0    60.7117   6.1660    60.7117   6.1660       ?       ? 
1 1 1   14    6   18 o     73.6    4.2    54.5456   6.1660    54.5456   6.1660       ?       ? 
1 1 1   14    6   20 o    136.8    2.9   187.8267   7.8261   187.8267   7.8261       ?       ? 
1 1 1   14    6   22 o     37.5    5.4    14.2293   4.0316    14.2293   4.0316       ?       ? 
1 1 1   14    6   24 o     41.1    4.6    17.0752   3.7945    17.0752   3.7945       ?       ? 
1 1 1   14    6   26 o     80.7    2.8    65.4548   4.5059    65.4548   4.5059       ?       ? 
1 1 1   14    6   28 o    100.8    2.4   101.9766   4.7431   101.9766   4.7431       ?       ? 
1 1 1   14    6   30 o     86.2    2.9    74.7038   4.9803    74.7038   4.9803       ?       ? 
1 1 1   14    7    3 o     71.6    3.3    51.4626   4.7431    51.4626   4.7431       ?       ? 
1 1 1   14    7    5 o     64.6    5.1    42.2136   6.6403    42.2136   6.6403       ?       ? 
1 1 1   14    7    7 o     83.5    5.1    70.4350   8.5376    70.4350   8.5376       ?       ? 
1 1 1   14    7    9 o     66.7    3.9    44.8223   5.2174    44.8223   5.2174       ?       ? 
1 1 1   14    7   11 o     26.1    8.4     6.8775   4.9803     6.8775   4.9803       ?       ? 
1 1 1   14    7   13 o     65.4    4.5    43.1622   5.9289    43.1622   5.9289       ?       ? 
1 1 1   14    7   15 o    135.0    3.2   182.8465   8.5376   182.8465   8.5376       ?       ? 
1 1 1   14    7   17 o     53.5    5.1    28.9329   5.4546    28.9329   5.4546       ?       ? 
1 1 1   14    7   19 o    102.5    3.5   105.7711   7.1146   105.7711   7.1146       ?       ? 
1 1 1   14    7   21 o     51.0    4.4    26.3242   4.5059    26.3242   4.5059       ?       ? 
1 1 1   14    7   23 o     63.1    3.9    40.3163   4.9803    40.3163   4.9803       ?       ? 
1 1 1   14    7   25 o     47.4    5.8    23.0040   5.4546    23.0040   5.4546       ?       ? 
1 1 1   14    7   27 o     42.0    5.4    18.0238   4.5059    18.0238   4.5059       ?       ? 
1 1 1   14    7   29 o     41.5    5.4    17.5495   4.5059    17.5495   4.5059       ?       ? 
1 1 1   14    8    2 f     71.7    3.8    51.6998   5.4546    51.6998   5.4546       ?       ? 
1 1 1   14    8    4 o     18.2    8.0    -1.4229   5.6917    -1.4229   5.6917       ?       ? 
1 1 1   14    8    6 o     76.1    5.3    58.5773   8.0633    58.5773   8.0633       ?       ? 
1 1 1   14    8    8 o     84.6    5.0    72.3323   8.5376    72.3323   8.5376       ?       ? 
1 1 1   14    8   10 o     82.5    5.2    68.7749   8.5376    68.7749   8.5376       ?       ? 
1 1 1   14    8   12 o    170.8    2.9   292.6492   9.9605   292.6492   9.9605       ?       ? 
1 1 1   14    8   14 o    118.8    3.5   142.0558   8.3004   142.0558   8.3004       ?       ? 
1 1 1   14    8   16 o     67.5    5.4    46.2452   7.3518    46.2452   7.3518       ?       ? 
1 1 1   14    8   18 o     67.7    4.6    46.4824   6.1660    46.4824   6.1660       ?       ? 
1 1 1   14    8   20 o     27.1    8.1     7.8261   4.7431     7.8261   4.7431       ?       ? 
1 1 1   14    8   22 o     71.2    3.8    51.2255   5.4546    51.2255   5.4546       ?       ? 
1 1 1   14    8   24 o    103.5    3.2   107.9055   6.6403   107.9055   6.6403       ?       ? 
1 1 1   14    8   26 o     54.5    5.0    30.1187   5.4546    30.1187   5.4546       ?       ? 
1 1 1   14    9    1 o    104.6    3.5   110.0399   7.3518   110.0399   7.3518       ?       ? 
1 1 1   14    9    3 o     50.3    6.8    25.8499   6.8775    25.8499   6.8775       ?       ? 
1 1 1   14    9    7 o    153.2    7.3   240.9494  22.2926   240.9494  22.2926       ?       ? 
1 1 1   14    9    9 o    206.7    5.6   434.4679  23.0040   434.4679  23.0040       ?       ? 
1 1 1   14    9   11 o    134.7    7.5   187.5896  20.1582   187.5896  20.1582       ?       ? 
1 1 1   14    9   13 o     32.7   13.0     8.0633  12.8064     8.0633  12.8064       ?       ? 
1 1 1   14    9   15 f    137.1    7.4   195.8900  20.3953   195.8900  20.3953       ?       ? 
1 1 1   14    9   17 o     67.2    4.1    45.7709   5.4546    45.7709   5.4546       ?       ? 
1 1 1   14    9   19 o    189.0    2.8   359.2898  10.4348   359.2898  10.4348       ?       ? 
1 1 1   14    9   21 o    100.0    3.0   100.5537   5.9289   100.5537   5.9289       ?       ? 
1 1 1   14    9   23 o    102.1    2.9   104.8225   5.9289   104.8225   5.9289       ?       ? 
1 1 1   14   10    0 o     21.2   11.8     6.6403   7.3518     6.6403   7.3518     0.0     0.0 
1 1 1   14   10    2 o     14.6    7.0    -7.1146   5.6917    -7.1146   5.6917       ?       ? 
1 1 1   14   10    4 o     83.5    2.1    69.9607   3.5573    69.9607   3.5573       ?       ? 
1 1 1   14   10    6 o    133.1    4.4   179.7635  11.6206   179.7635  11.6206       ?       ? 
1 1 1   14   10    8 o     14.0    6.8   -10.6720   6.1660   -10.6720   6.1660       ?       ? 
1 1 1   14   10   10 o     43.1    9.8    20.6325   8.3004    20.6325   8.3004       ?       ? 
1 1 1   14   10   12 o     32.4   11.4    10.6720   9.2490    10.6720   9.2490       ?       ? 
1 1 1   14   10   14 o     79.7    3.4    64.0318   5.4546    64.0318   5.4546       ?       ? 
1 1 1   14   10   16 o     41.1    6.1    17.3123   4.9803    17.3123   4.9803       ?       ? 
1 1 1   14   10   18 o    105.7    2.7   112.1743   5.6917   112.1743   5.6917       ?       ? 
1 1 1   14   11    1 o    112.8    2.7   127.8265   6.1660   127.8265   6.1660       ?       ? 
1 1 1   14   11    3 o     62.5    4.6    39.6049   5.6917    39.6049   5.6917       ?       ? 
1 1 1   14   11    5 o     82.8    3.7    69.2493   6.1660    69.2493   6.1660       ?       ? 
1 1 1   14   11    7 f     41.6    4.8    17.5495   4.0316    17.5495   4.0316       ?       ? 
1 1 1   14   11    9 o     42.7    4.7    18.4981   4.0316    18.4981   4.0316       ?       ? 
1 1 1   14   11   11 o     82.5    3.4    68.5378   5.6917    68.5378   5.6917       ?       ? 
1 1 1   15    0    1 o     39.5    8.2    17.5495   5.6917    17.5495   5.6917     0.0     0.0 
1 1 1   15    0    3 o    160.2    5.4   258.7361  17.3123   258.7361  17.3123     0.0     0.0 
1 1 1   15    0    5 o     78.3    5.7    62.6089   8.7747    62.6089   8.7747     0.0     0.0 
1 1 1   15    0    7 o    141.3    5.0   201.3446  14.2293   201.3446  14.2293     0.0     0.0 
1 1 1   15    0    9 o     57.1    9.1    34.8618   9.7234    34.8618   9.7234     0.0     0.0 
1 1 1   15    0   11 o     53.1   11.5    32.2531  10.6720    32.2531  10.6720     0.0     0.0 
1 1 1   15    0   13 o     68.2    4.9    47.4310   6.6403    47.4310   6.6403     0.0     0.0 
1 1 1   15    0   15 o     12.4    8.6    -4.5059   6.8775    -4.5059   6.8775     0.0     0.0 
1 1 1   15    0   17 o    102.6    4.2   106.2454   8.5376   106.2454   8.5376     0.0     0.0 
1 1 1   15    0   19 o     38.9    9.9    18.0238   6.6403    18.0238   6.6403     0.0     0.0 
1 1 1   15    0   21 o     21.1   11.8     6.4032   7.3518     6.4032   7.3518     0.0     0.0 
1 1 1   15    0   23 o     41.9    7.4    19.2096   5.6917    19.2096   5.6917     0.0     0.0 
1 1 1   15    0   25 o     50.8    6.2    27.2728   6.1660    27.2728   6.1660     0.0     0.0 
1 1 1   15    0   27 o     16.7   10.6     1.6601   7.5890     1.6601   7.5890     0.0     0.0 
1 1 1   15    0   29 o     15.6   10.5    -2.8459   9.2490    -2.8459   9.2490     0.0     0.0 
1 1 1   15    0   31 o     34.9   10.5    15.4151   6.4032    15.4151   6.4032     0.0     0.0 
1 1 1   15    1    0 o     55.5    7.0    32.4902   7.5890    32.4902   7.5890     0.0     0.0 
1 1 1   15    1    2 o    133.3    2.7   178.1034   7.1146   178.1034   7.1146       ?       ? 
1 1 1   15    1    4 o     60.1    3.9    36.2847   4.7431    36.2847   4.7431       ?       ? 
1 1 1   15    1    6 o    106.8    3.7   114.5458   7.8261   114.5458   7.8261       ?       ? 
1 1 1   15    1    8 o     59.2    5.2    35.3361   6.1660    35.3361   6.1660       ?       ? 
1 1 1   15    1   10 o     94.7    3.1    89.8817   5.9289    89.8817   5.9289       ?       ? 
1 1 1   15    1   12 o    189.9    2.7   361.6613  10.1977   361.6613  10.1977       ?       ? 
1 1 1   15    1   14 o    135.5    2.9   184.2694   7.8261   184.2694   7.8261       ?       ? 
1 1 1   15    1   16 o     43.0    5.5    18.7352   4.7431    18.7352   4.7431       ?       ? 
1 1 1   15    1   18 f     85.2    3.5    73.0437   5.9289    73.0437   5.9289       ?       ? 
1 1 1   15    1   20 o    101.7    2.7   103.6367   5.4546   103.6367   5.4546       ?       ? 
1 1 1   15    1   22 o     24.8    8.4     5.9289   4.9803     5.9289   4.9803       ?       ? 
1 1 1   15    1   24 o    145.3    2.4   211.7794   6.8775   211.7794   6.8775       ?       ? 
1 1 1   15    1   26 o    103.0    2.5   106.4826   5.2174   106.4826   5.2174       ?       ? 
1 1 1   15    1   28 o     30.6    8.6    10.1977   5.4546    10.1977   5.4546       ?       ? 
1 1 1   15    1   30 o     48.3    4.9    23.7155   4.7431    23.7155   4.7431       ?       ? 
1 1 1   15    1   32 o     50.0    5.2    25.3756   5.2174    25.3756   5.2174       ?       ? 
1 1 1   15    2    1 o     67.8    3.7    46.2452   4.9803    46.2452   4.9803       ?       ? 
1 1 1   15    2    3 o     82.9    3.3    69.0121   5.4546    69.0121   5.4546       ?       ? 
1 1 1   15    2    5 o     82.2    3.0    67.8263   4.9803    67.8263   4.9803       ?       ? 
1 1 1   15    2    7 f     40.5    8.2    17.3123   6.4032    17.3123   6.4032       ?       ? 
1 1 1   15    2    9 o    108.2    2.7   117.3917   5.9289   117.3917   5.9289       ?       ? 
1 1 1   15    2   11 o    114.6    2.9   131.6210   6.6403   131.6210   6.6403       ?       ? 
1 1 1   15    2   13 f    102.2    3.1   104.8225   6.4032   104.8225   6.4032       ?       ? 
1 1 1   15    2   15 o     23.5    8.9     4.2688   5.6917     4.2688   5.6917       ?       ? 
1 1 1   15    2   17 o    157.7    2.3   249.2499   7.1146   249.2499   7.1146       ?       ? 
1 1 1   15    2   19 o     24.3    8.2     5.6917   4.7431     5.6917   4.7431       ?       ? 
1 1 1   15    2   21 o     31.7    7.3    10.6720   4.5059    10.6720   4.5059       ?       ? 
1 1 1   15    2   23 f     95.2    3.1    91.0675   5.9289    91.0675   5.9289       ?       ? 
1 1 1   15    2   25 o     69.9    3.6    49.3282   4.9803    49.3282   4.9803       ?       ? 
1 1 1   15    2   27 o     91.4    3.2    84.1900   5.9289    84.1900   5.9289       ?       ? 
1 1 1   15    2   29 o     51.8    4.6    27.2728   4.7431    27.2728   4.7431       ?       ? 
1 1 1   15    2   31 o     33.0    7.0    11.6206   4.5059    11.6206   4.5059       ?       ? 
1 1 1   15    3    0 o     16.1   10.2     1.4229   6.8775     1.4229   6.8775     0.0     0.0 
1 1 1   15    3    2 f    142.9    2.6   204.6647   7.3518   204.6647   7.3518       ?       ? 
1 1 1   15    3    4 o     74.4    3.0    55.4943   4.5059    55.4943   4.5059       ?       ? 
1 1 1   15    3    6 o    225.4    2.1   508.9346   9.2490   508.9346   9.2490       ?       ? 
1 1 1   15    3    8 o     92.1    1.8    84.9015   3.3202    84.9015   3.3202       ?       ? 
1 1 1   15    3   10 o     47.8    3.7    23.0040   3.5573    23.0040   3.5573       ?       ? 
1 1 1   15    3   12 o     21.7    7.3     4.5059   3.7945     4.5059   3.7945       ?       ? 
1 1 1   15    3   14 o     11.9    5.8    -9.4862   4.7431    -9.4862   4.7431       ?       ? 
1 1 1   15    3   16 o     48.0    4.4    23.2412   4.2688    23.2412   4.2688       ?       ? 
1 1 1   15    3   18 o     82.9    3.1    69.0121   5.2174    69.0121   5.2174       ?       ? 
1 1 1   15    3   20 o     45.4    5.2    20.8696   4.7431    20.8696   4.7431       ?       ? 
1 1 1   15    3   22 o     81.7    3.2    67.1149   5.2174    67.1149   5.2174       ?       ? 
1 1 1   15    3   24 o     92.2    2.8    85.3758   5.2174    85.3758   5.2174       ?       ? 
1 1 1   15    3   26 o    146.0    2.4   214.1509   7.1146   214.1509   7.1146       ?       ? 
1 1 1   15    3   28 o     19.0    8.0     0.7115   5.2174     0.7115   5.2174       ?       ? 
1 1 1   15    3   30 o    126.5    2.4   160.5539   6.1660   160.5539   6.1660       ?       ? 
1 1 1   15    4    1 o     18.6    7.8     0.4743   4.9803     0.4743   4.9803       ?       ? 
1 1 1   15    4    3 o     65.0    5.1    42.6879   6.6403    42.6879   6.6403       ?       ? 
1 1 1   15    4    5 o     86.7    4.2    75.6524   7.3518    75.6524   7.3518       ?       ? 
1 1 1   15    4    7 o    107.9    4.5   117.3917   9.7234   117.3917   9.7234       ?       ? 
1 1 1   15    4    9 o     65.0    8.9    43.6365  11.6206    43.6365  11.6206       ?       ? 
1 1 1   15    4   11 o    129.1    5.5   168.8543  14.2293   168.8543  14.2293       ?       ? 
1 1 1   15    4   13 o     59.6    6.0    36.0476   7.1146    36.0476   7.1146       ?       ? 
1 1 1   15    4   15 o     78.2    5.3    61.8974   8.3004    61.8974   8.3004       ?       ? 
1 1 1   15    4   17 o     30.0    6.5     9.4862   3.7945     9.4862   3.7945       ?       ? 
1 1 1   15    4   19 o     54.2    4.2    29.6444   4.5059    29.6444   4.5059       ?       ? 
1 1 1   15    4   21 o     73.0    3.2    53.5970   4.7431    53.5970   4.7431       ?       ? 
1 1 1   15    4   23 o    135.0    2.5   183.0836   6.8775   183.0836   6.8775       ?       ? 
1 1 1   15    4   25 o     72.8    4.4    53.8342   6.4032    53.8342   6.4032       ?       ? 
1 1 1   15    4   27 o     59.7    4.8    36.2847   5.6917    36.2847   5.6917       ?       ? 
1 1 1   15    4   29 o     22.8    8.5     4.2688   5.2174     4.2688   5.2174       ?       ? 
1 1 1   15    5    2 o     79.4    3.4    63.3204   5.4546    63.3204   5.4546       ?       ? 
1 1 1   15    5    4 o     55.8    5.5    31.5416   6.1660    31.5416   6.1660       ?       ? 
1 1 1   15    5    6 o     56.5    6.5    32.4902   7.3518    32.4902   7.3518       ?       ? 
1 1 1   15    5    8 o    125.3    4.1   158.1824  10.1977   158.1824  10.1977       ?       ? 
1 1 1   15    5   10 o    122.6    2.8   150.8306   6.8775   150.8306   6.8775       ?       ? 
1 1 1   15    5   12 o     65.1    4.4    42.6879   5.6917    42.6879   5.6917       ?       ? 
1 1 1   15    5   14 o     58.3    5.5    34.3875   6.4032    34.3875   6.4032       ?       ? 
1 1 1   15    5   16 o     19.9    8.4     0.7115   5.6917     0.7115   5.6917       ?       ? 
1 1 1   15    5   18 o     31.4    9.6    10.4348   6.6403    10.4348   6.6403       ?       ? 
1 1 1   15    5   20 f     72.2    3.0    52.4112   4.2688    52.4112   4.2688       ?       ? 
1 1 1   15    5   22 o     40.2    5.9    16.6008   4.7431    16.6008   4.7431       ?       ? 
1 1 1   15    5   24 o     74.3    3.3    55.7314   4.9803    55.7314   4.9803       ?       ? 
1 1 1   15    5   26 o     67.1    4.1    45.5338   5.4546    45.5338   5.4546       ?       ? 
1 1 1   15    5   28 o     47.4    6.0    23.0040   5.6917    23.0040   5.6917       ?       ? 
1 1 1   15    6    5 o     87.2    4.2    76.6011   7.3518    76.6011   7.3518       ?       ? 
1 1 1   15    6    7 f     14.6    6.6    -2.6087   4.2688    -2.6087   4.2688       ?       ? 
1 1 1   15    6    9 o     71.3    5.7    51.4626   8.0633    51.4626   8.0633       ?       ? 
1 1 1   15    6   11 o     33.6    9.0    12.0949   6.1660    12.0949   6.1660       ?       ? 
1 1 1   15    6   13 o    152.1    2.8   232.1747   8.5376   232.1747   8.5376       ?       ? 
1 1 1   15    6   15 o     47.7    6.5    23.2412   6.1660    23.2412   6.1660       ?       ? 
1 1 1   15    6   17 o    108.7    3.1   118.8146   6.6403   118.8146   6.6403       ?       ? 
1 1 1   15    6   19 o     61.7    5.6    38.8934   6.8775    38.8934   6.8775       ?       ? 
1 1 1   15    6   21 o    112.1    3.2   126.6408   7.1146   126.6408   7.1146       ?       ? 
1 1 1   15    6   23 o     26.6    7.3     7.5890   4.0316     7.5890   4.0316       ?       ? 
1 1 1   15    6   25 o     62.1    3.8    38.8934   4.7431    38.8934   4.7431       ?       ? 
1 1 1   15    7    8 o     35.4    8.7    13.5178   6.1660    13.5178   6.1660       ?       ? 
1 1 1   15    7   10 o     62.7    5.1    39.8420   6.4032    39.8420   6.4032       ?       ? 
1 1 1   15    7   12 o     55.6    4.5    31.3045   4.9803    31.3045   4.9803       ?       ? 
1 1 1   15    7   14 o     30.1    7.2     9.7234   4.2688     9.7234   4.2688       ?       ? 
1 1 1   15    7   16 o     33.9    7.2    12.3321   4.7431    12.3321   4.7431       ?       ? 
1 1 1   15    7   18 o     30.9    8.5    10.4348   5.4546    10.4348   5.4546       ?       ? 
1 1 1   15    7   20 o     88.8    3.3    79.4469   5.9289    79.4469   5.9289       ?       ? 
1 1 1   15    7   22 o    155.9    2.6   244.2696   8.0633   244.2696   8.0633       ?       ? 
1 1 1   15    8    5 o     72.3    5.1    53.1227   7.3518    53.1227   7.3518       ?       ? 
1 1 1   15    8    7 o     82.6    6.0    69.9607   9.9605    69.9607   9.9605       ?       ? 
1 1 1   15    8    9 o     79.5    5.2    64.5061   8.3004    64.5061   8.3004       ?       ? 
1 1 1   15    8   13 o     67.2    4.9    46.0081   6.6403    46.0081   6.6403       ?       ? 
1 1 1   15    8   15 o    107.6    3.3   116.6802   7.1146   116.6802   7.1146       ?       ? 
1 1 1   15    8   17 f     38.4    8.8    16.1265   6.6403    16.1265   6.6403       ?       ? 
1 1 1   15    8   19 o     41.6    7.7    18.4981   6.1660    18.4981   6.1660       ?       ? 
1 1 1   15    9    2 o     39.6    6.3    16.1265   4.9803    16.1265   4.9803       ?       ? 
1 1 1   15    9    4 o     29.1    9.2     9.0119   5.9289     9.0119   5.9289       ?       ? 
1 1 1   15    9    6 o    119.2    4.9   144.6645  11.6206   144.6645  11.6206       ?       ? 
1 1 1   15    9    8 f     29.1   10.0     8.5376   7.1146     8.5376   7.1146       ?       ? 
1 1 1   15    9   10 o     34.2    9.9    12.8064   7.1146    12.8064   7.1146       ?       ? 
1 1 1   15    9   12 o    121.4    4.1   148.9333   9.9605   148.9333   9.9605       ?       ? 
1 1 1   15    9   14 o     25.3   10.7     1.4229   9.4862     1.4229   9.4862       ?       ? 
1 1 1   15   10    1 o    210.6    3.7   447.2743  15.6522   447.2743  15.6522       ?       ? 
1 1 1   15   10    3 o     21.0    9.1    -0.4743   7.1146    -0.4743   7.1146       ?       ? 
1 1 1   15   10    5 o     25.4   10.2     4.0316   7.8261     4.0316   7.8261       ?       ? 
1 1 1   15   10    7 o    107.1    7.6   118.8146  16.3637   118.8146  16.3637       ?       ? 
1 1 1   16    0    0 o     19.0   11.4     4.0316   7.5890     4.0316   7.5890     0.0     0.0 
1 1 1   16    0    2 o     25.9   10.4     9.4862   5.2174     9.4862   5.2174     0.0     0.0 
1 1 1   16    0    4 o     52.8   10.6    31.5416   9.9605    31.5416   9.9605     0.0     0.0 
1 1 1   16    0    6 o     72.3    7.5    54.5456  10.6720    54.5456  10.6720     0.0     0.0 
1 1 1   16    0    8 o     22.3   12.9     6.6403   9.2490     6.6403   9.2490     0.0     0.0 
1 1 1   16    0   10 o     26.3   14.6    10.1977  11.1463    10.1977  11.1463     0.0     0.0 
1 1 1   16    0   12 o     23.1   14.1     5.6917  12.0949     5.6917  12.0949     0.0     0.0 
1 1 1   16    0   14 o    247.5    3.3   614.2313  16.3637   614.2313  16.3637     0.0     0.0 
1 1 1   16    0   16 o     49.2    8.7    26.5614   7.8261    26.5614   7.8261     0.0     0.0 
1 1 1   16    0   18 o    101.4    4.3   103.8739   8.7747   103.8739   8.7747     0.0     0.0 
1 1 1   16    0   20 f     27.6   12.7    11.6206   7.5890    11.6206   7.5890     0.0     0.0 
1 1 1   16    0   22 o      9.4    6.8   -11.1463   6.4032   -11.1463   6.4032     0.0     0.0 
1 1 1   16    0   24 o     57.5    7.4    35.3361   8.3004    35.3361   8.3004     0.0     0.0 
1 1 1   16    0   26 o     74.3    4.0    55.9686   5.9289    55.9686   5.9289     0.0     0.0 
1 1 1   16    1    1 o     36.8    6.7    14.2293   4.7431    14.2293   4.7431       ?       ? 
1 1 1   16    1    3 o     53.6    4.4    28.9329   4.7431    28.9329   4.7431       ?       ? 
1 1 1   16    1    5 o     37.3    8.7    14.9408   6.4032    14.9408   6.4032       ?       ? 
1 1 1   16    1    7 o     66.8    5.2    45.0594   6.8775    45.0594   6.8775       ?       ? 
1 1 1   16    1    9 o    188.3    3.3   356.2068  12.5692   356.2068  12.5692       ?       ? 
1 1 1   16    1   11 o     48.1    5.7    23.4783   5.4546    23.4783   5.4546       ?       ? 
1 1 1   16    1   13 o     35.2    8.8    13.2807   6.1660    13.2807   6.1660       ?       ? 
1 1 1   16    1   15 o     57.5    4.5    33.4389   5.2174    33.4389   5.2174       ?       ? 
1 1 1   16    1   17 o     96.5    3.2    93.6762   6.1660    93.6762   6.1660       ?       ? 
1 1 1   16    1   19 o     28.9    8.0     9.0119   4.7431     9.0119   4.7431       ?       ? 
1 1 1   16    1   21 o     56.4    5.5    32.4902   6.1660    32.4902   6.1660       ?       ? 
1 1 1   16    1   23 o     54.0    4.8    29.6444   5.2174    29.6444   5.2174       ?       ? 
1 1 1   16    1   25 o     30.0    7.8     9.7234   4.7431     9.7234   4.7431       ?       ? 
1 1 1   16    1   27 o     42.7    5.3    18.4981   4.5059    18.4981   4.5059       ?       ? 
1 1 1   16    2    0 o    173.1    3.8   301.1868  13.2807   301.1868  13.2807     0.0     0.0 
1 1 1   16    2    2 o     64.5    4.2    41.9764   5.4546    41.9764   5.4546       ?       ? 
1 1 1   16    2    4 o     92.2    2.8    85.3758   5.2174    85.3758   5.2174       ?       ? 
1 1 1   16    2    6 o     82.2    3.0    67.8263   4.9803    67.8263   4.9803       ?       ? 
1 1 1   16    2    8 o    157.5    2.5   248.7756   7.8261   248.7756   7.8261       ?       ? 
1 1 1   16    2   10 o    142.4    3.2   203.7161   9.0119   203.7161   9.0119       ?       ? 
1 1 1   16    2   12 o    117.1    3.0   137.5499   7.1146   137.5499   7.1146       ?       ? 
1 1 1   16    2   14 o     51.0    5.1    26.3242   5.2174    26.3242   5.2174       ?       ? 
1 1 1   16    2   16 o    102.4    3.4   105.5340   6.8775   105.5340   6.8775       ?       ? 
1 1 1   16    2   18 o     55.3    4.9    31.0673   5.4546    31.0673   5.4546       ?       ? 
1 1 1   16    2   20 o     47.2    5.3    22.7669   4.9803    22.7669   4.9803       ?       ? 
1 1 1   16    2   22 o     74.0    3.5    55.2571   5.2174    55.2571   5.2174       ?       ? 
1 1 1   16    2   24 o    142.4    3.0   203.9533   8.5376   203.9533   8.5376       ?       ? 
1 1 1   16    2   26 o     20.2    8.0     2.6087   4.7431     2.6087   4.7431       ?       ? 
1 1 1   16    3    1 o     99.3    2.9    98.8936   5.6917    98.8936   5.6917       ?       ? 
1 1 1   16    3    3 o    112.6    2.8   127.1151   6.4032   127.1151   6.4032       ?       ? 
1 1 1   16    3    5 o     80.5    2.8    64.9805   4.5059    64.9805   4.5059       ?       ? 
1 1 1   16    3    7 o     65.1    2.4    42.4507   3.0830    42.4507   3.0830       ?       ? 
1 1 1   16    3    9 o     77.0    2.9    59.5259   4.5059    59.5259   4.5059       ?       ? 
1 1 1   16    3   11 o     75.6    3.0    57.3915   4.5059    57.3915   4.5059       ?       ? 
1 1 1   16    3   13 o     35.9    6.5    13.5178   4.5059    13.5178   4.5059       ?       ? 
1 1 1   16    3   15 f    123.1    2.9   152.2535   7.1146   152.2535   7.1146       ?       ? 
1 1 1   16    3   17 o     42.0    5.4    18.0238   4.5059    18.0238   4.5059       ?       ? 
1 1 1   16    3   19 o     36.3    5.9    13.5178   4.2688    13.5178   4.2688       ?       ? 
1 1 1   16    3   21 o     50.3    5.2    25.8499   5.2174    25.8499   5.2174       ?       ? 
1 1 1   16    3   23 o     87.3    3.3    76.8382   5.6917    76.8382   5.6917       ?       ? 
1 1 1   16    3   25 o     54.9    4.7    30.5930   5.2174    30.5930   5.2174       ?       ? 
1 1 1   16    4    0 o     33.2    7.8    12.8064   4.5059    12.8064   4.5059     0.0     0.0 
1 1 1   16    4    2 o     96.7    3.6    93.9134   6.8775    93.9134   6.8775       ?       ? 
1 1 1   16    4    4 o     53.1    6.7    28.6958   7.1146    28.6958   7.1146       ?       ? 
1 1 1   16    4    8 o     57.0   11.2    35.3361  12.3321    35.3361  12.3321       ?       ? 
1 1 1   16    4   10 o     37.6   13.4    13.9921  12.8064    13.9921  12.8064       ?       ? 
1 1 1   16    4   12 o     89.6    8.1    83.2414  14.4665    83.2414  14.4665       ?       ? 
1 1 1   16    4   14 o    127.0    3.5   162.6883   9.0119   162.6883   9.0119       ?       ? 
1 1 1   16    4   16 o     39.5   10.8    17.5495   8.7747    17.5495   8.7747       ?       ? 
1 1 1   16    4   18 o     47.8    4.5    23.2412   4.2688    23.2412   4.2688       ?       ? 
1 1 1   16    4   20 o     29.6    7.6     9.4862   4.5059     9.4862   4.5059       ?       ? 
1 1 1   16    4   22 o    107.3    2.5   115.7316   5.4546   115.7316   5.4546       ?       ? 
1 1 1   16    4   24 o     51.0    6.0    26.5614   6.1660    26.5614   6.1660       ?       ? 
1 1 1   16    5    3 o     59.3    5.0    35.5732   5.9289    35.5732   5.9289       ?       ? 
1 1 1   16    5    5 o    130.5    3.9   171.7002  10.1977   171.7002  10.1977       ?       ? 
1 1 1   16    5    7 o     56.9    7.5    33.4389   8.5376    33.4389   8.5376       ?       ? 
1 1 1   16    5    9 o     62.8    5.8    40.3163   7.3518    40.3163   7.3518       ?       ? 
1 1 1   16    5   11 o     85.6    5.0    74.4667   8.5376    74.4667   8.5376       ?       ? 
1 1 1   16    5   13 o     50.9    9.2    28.2214   9.0119    28.2214   9.0119       ?       ? 
1 1 1   16    5   15 o    177.5    3.5   318.2620  12.5692   318.2620  12.5692       ?       ? 
1 1 1   16    5   17 o     24.7    9.6     4.5059   6.8775     4.5059   6.8775       ?       ? 
1 1 1   16    5   19 o     24.0   10.2     1.1858   8.5376     1.1858   8.5376       ?       ? 
1 1 1   16    5   21 o    129.8    3.9   170.0401  10.1977   170.0401  10.1977       ?       ? 
1 1 1   16    6    6 o     58.9    6.0    35.5732   7.1146    35.5732   7.1146       ?       ? 
1 1 1   16    6    8 o     16.0    7.3    -2.3715   4.9803    -2.3715   4.9803       ?       ? 
1 1 1   16    6   10 o     77.3    4.0    60.4745   6.1660    60.4745   6.1660       ?       ? 
1 1 1   16    6   12 o    112.5    3.7   127.8265   8.3004   127.8265   8.3004       ?       ? 
1 1 1   16    6   14 o     86.5    3.8    75.6524   6.6403    75.6524   6.6403       ?       ? 
1 1 1   16    6   16 o     47.5    6.7    23.2412   6.4032    23.2412   6.4032       ?       ? 
1 1 1   16    6   18 o     21.5    9.1     0.7115   6.8775     0.7115   6.8775       ?       ? 
1 1 1   16    7    9 o     95.2    4.9    92.2533   9.2490    92.2533   9.2490       ?       ? 
1 1 1   16    7   11 o    124.0    3.1   154.8622   7.5890   154.8622   7.5890       ?       ? 
1 1 1   16    7   13 f     58.6    4.7    34.8618   5.4546    34.8618   5.4546       ?       ? 
1 1 1   16    7   15 o    141.5    2.9   201.1074   8.0633   201.1074   8.0633       ?       ? 
1 1 1   16    8    6 o     53.0    5.6    28.6958   5.9289    28.6958   5.9289       ?       ? 
1 1 1   16    8    8 o     55.7    7.9    32.2531   8.7747    32.2531   8.7747       ?       ? 
1 1 1   16    8   10 o     85.4    5.3    74.2295   9.0119    74.2295   9.0119       ?       ? 
1 1 1   17    0    1 o     37.1    8.9    16.1265   5.6917    16.1265   5.6917     0.0     0.0 
1 1 1   17    0    3 o     38.2    8.6    16.8380   5.6917    16.8380   5.6917     0.0     0.0 
1 1 1   17    0    5 o     14.2    9.9    -6.8775   9.4862    -6.8775   9.4862     0.0     0.0 
1 1 1   17    0    7 o     91.8    7.2    87.2730  13.0435    87.2730  13.0435     0.0     0.0 
1 1 1   17    0    9 o     25.3   14.2     9.7234  10.6720     9.7234  10.6720     0.0     0.0 
1 1 1   17    0   11 o     50.5   14.9    32.9645  13.0435    32.9645  13.0435     0.0     0.0 
1 1 1   17    0   13 o     49.6    8.2    26.7985   7.5890    26.7985   7.5890     0.0     0.0 
1 1 1   17    0   15 o     19.5   11.5     4.9803   7.5890     4.9803   7.5890     0.0     0.0 
1 1 1   17    0   17 o     17.7   11.2     2.1344   8.3004     2.1344   8.3004     0.0     0.0 
1 1 1   17    0   19 o     28.2   12.9    12.0949   7.8261    12.0949   7.8261     0.0     0.0 
1 1 1   17    1    0 o     49.3    6.9    25.3756   6.6403    25.3756   6.6403     0.0     0.0 
1 1 1   17    1    2 o     63.7    3.9    41.0278   4.9803    41.0278   4.9803       ?       ? 
1 1 1   17    1    4 o     83.8    3.3    70.6722   5.4546    70.6722   5.4546       ?       ? 
1 1 1   17    1    6 o     46.6    8.7    23.4783   7.8261    23.4783   7.8261       ?       ? 
1 1 1   17    1    8 o     40.5    9.3    18.0238   7.3518    18.0238   7.3518       ?       ? 
1 1 1   17    1   10 o     15.4    6.8    -1.4229   4.2688    -1.4229   4.2688       ?       ? 
1 1 1   17    1   12 o     89.2    3.9    80.3955   6.8775    80.3955   6.8775       ?       ? 
1 1 1   17    1   14 o     65.2    5.5    43.3994   7.1146    43.3994   7.1146       ?       ? 
1 1 1   17    1   16 o    107.6    3.2   116.6802   6.8775   116.6802   6.8775       ?       ? 
1 1 1   17    1   18 o     63.1    4.5    40.3163   5.6917    40.3163   5.6917       ?       ? 
1 1 1   17    1   20 f     47.5    5.5    23.0040   5.2174    23.0040   5.2174       ?       ? 
1 1 1   17    2    1 f     65.3    4.2    43.1622   5.4546    43.1622   5.4546       ?       ? 
1 1 1   17    2    3 o     43.6    5.7    19.4467   4.9803    19.4467   4.9803       ?       ? 
1 1 1   17    2    5 o     96.3    2.7    93.2019   5.2174    93.2019   5.2174       ?       ? 
1 1 1   17    2    7 o     82.0    6.4    69.2493  10.4348    69.2493  10.4348       ?       ? 
1 1 1   17    2    9 o     51.2    5.3    26.7985   5.4546    26.7985   5.4546       ?       ? 
1 1 1   17    2   11 o    128.0    3.4   165.2970   8.7747   165.2970   8.7747       ?       ? 
1 1 1   17    2   13 o     20.7    8.4     2.1344   5.4546     2.1344   5.4546       ?       ? 
1 1 1   17    2   15 o     47.1    6.3    22.7669   5.9289    22.7669   5.9289       ?       ? 
1 1 1   17    2   17 o     48.4    5.6    23.9527   5.4546    23.9527   5.4546       ?       ? 
1 1 1   17    2   19 o     23.4    8.5     4.7431   5.2174     4.7431   5.2174       ?       ? 
1 1 1   17    3    0 o     13.5    9.4    -5.4546   8.3004    -5.4546   8.3004     0.0     0.0 
1 1 1   17    3    2 o     32.0    8.4    11.1463   5.4546    11.1463   5.4546       ?       ? 
1 1 1   17    3    4 o     56.5    4.0    32.2531   4.5059    32.2531   4.5059       ?       ? 
1 1 1   17    3    6 o     25.8    6.1     7.1146   3.0830     7.1146   3.0830       ?       ? 
1 1 1   17    3    8 o     68.9    3.3    47.9053   4.5059    47.9053   4.5059       ?       ? 
1 1 1   17    3   10 o     23.7    7.8     5.6917   4.2688     5.6917   4.2688       ?       ? 
1 1 1   17    3   12 o     20.7    7.5     3.7945   4.0316     3.7945   4.0316       ?       ? 
1 1 1   17    3   14 o     19.8    6.0     4.0316   2.6087     4.0316   2.6087       ?       ? 
1 1 1   17    3   16 o     31.7    8.4    10.9091   5.4546    10.9091   5.4546       ?       ? 
1 1 1   17    3   18 o     29.7    8.4     9.4862   5.2174     9.4862   5.2174       ?       ? 
1 1 1   17    4    1 o     34.4    7.8    12.8064   5.2174    12.8064   5.2174       ?       ? 
1 1 1   17    4    3 o     51.8    6.6    27.7471   6.8775    27.7471   6.8775       ?       ? 
1 1 1   17    4    7 o     30.4   13.0     3.0830  13.9921     3.0830  13.9921       ?       ? 
1 1 1   17    4    9 o     28.7   12.0     3.5573  11.6206     3.5573  11.6206       ?       ? 
1 1 1   17    4   11 o     32.5   12.9     8.0633  12.5692     8.0633  12.5692       ?       ? 
1 1 1   17    4   13 o     28.8   12.5     0.7115  13.2807     0.7115  13.2807       ?       ? 
1 1 1   17    4   15 o    124.0    6.4   157.7081  15.8894   157.7081  15.8894       ?       ? 
1 1 1   17    5    4 o     61.1    5.6    38.1819   6.8775    38.1819   6.8775       ?       ? 
1 1 1   17    5    6 o     94.0    4.5    89.6446   8.5376    89.6446   8.5376       ?       ? 
1 1 1   17    5    8 o     29.2   10.3     8.3004   7.5890     8.3004   7.5890       ?       ? 
1 1 1   17    5   10 o     69.0    6.5    48.8539   9.0119    48.8539   9.0119       ?       ? 
1 1 1   17    5   12 o     76.1    5.6    59.0516   8.5376    59.0516   8.5376       ?       ? 
1 1 1   17    6    5 o     38.6    7.7    15.8894   5.6917    15.8894   5.6917       ?       ? 
1 1 1   17    6    7 o     32.4   10.2    11.1463   7.3518    11.1463   7.3518       ?       ? 
1 1 1   18    0    0 o    105.0    6.0   111.9371  12.5692   111.9371  12.5692     0.0     0.0 
1 1 1   18    0    2 o     18.9   10.4     5.2174   5.6917     5.2174   5.6917     0.0     0.0 
1 1 1   18    0    4 o     18.0   10.8     3.7945   6.8775     3.7945   6.8775     0.0     0.0 
1 1 1   18    0    6 o     22.9   13.7     6.6403  10.9091     6.6403  10.9091     0.0     0.0 
1 1 1   18    0    8 o    112.4    6.1   128.7751  13.5178   128.7751  13.5178     0.0     0.0 
1 1 1   18    1    1 o     96.1    3.7    93.2019   7.1146    93.2019   7.1146       ?       ? 
1 1 1   18    1    3 o     26.6    8.4     7.3518   4.9803     7.3518   4.9803       ?       ? 
1 1 1   18    1    5 o     23.5    8.2     5.2174   4.7431     5.2174   4.7431       ?       ? 
1 1 1   18    1    7 o     23.0    8.8     4.0316   5.6917     4.0316   5.6917       ?       ? 
1 1 1   18    2    0 o     20.5   12.1     5.4546   8.3004     5.4546   8.3004     0.0     0.0 
1 1 1   18    2    2 o     38.7    7.0    15.8894   5.2174    15.8894   5.2174       ?       ? 
1 1 1   18    2    4 o     33.6    7.6    12.0949   4.9803    12.0949   4.9803       ?       ? 
#END OF REFLECTIONS
