data_r7dpdsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2021-05-19 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      7dpd
_cell.length_a      78.286 
_cell.length_b      85.900 
_cell.length_c      111.511 
_cell.angle_alpha   90.000 
_cell.angle_beta    90.000 
_cell.angle_gamma   90.000 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97853 
# 
_entry.id   7dpd 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               7dpd 
_symmetry.space_group_name_H-M   "P 21 21 21" 
_symmetry.Int_Tables_number      19 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.pdbx_r_free_flag 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_calc_with_solvent 
_refln.pdbx_phase_calc_with_solvent 
_refln.pdbx_FWT 
_refln.pdbx_PHWT 
_refln.pdbx_DELFWT 
_refln.pdbx_DELPHWT 
1 1 1 1  1  3  < 0 -1     0.5   0.3  0.5 ?        ?            718.805    -65.1808     ?           ?            
1 1 1 1  1  4  o 0 33.9   2.5   31.1 2.5 566.198  69.2001      93.7054    -110.8       509.775     -110.8       
1 1 1 1  1  9  < 0 0.2    0.7   1.6  0.7 ?        ?            146.92     174.329      ?           ?            
1 1 1 1  1  13 o 0 20.3   1.6   18.8 1.6 135.283  4.5479       4.96089    4.5479       92.8971     -175.452     
1 1 1 1  1  17 o 0 8.5    1.6   8.6  1.6 149.71   125.753      53.8559    -54.2468     164.113     -54.2468     
1 1 1 1  2  4  o 0 9.5    0.8   8.2  0.8 252.562  -19.4108     99.2511    160.589      282.794     160.589      
1 1 1 1  2  13 o 0 3.3    1.1   2    1.1 48.9292  -122.479     29.7215    57.5209      64.7846     57.5209      
1 1 1 1  2  14 o 0 28.6   2.2   21.8 2.2 140.973  123.874      33.4951    123.874      66.9065     -56.1264     
1 1 1 1  3  4  o 0 38     2.9   42.4 2.9 314.31   123.229      87.6128    123.229      141.05      -56.7714     
1 1 1 1  3  9  o 0 36.4   2.9   36.8 2.9 196.512  2.13588      93.7745    2.13588      49.4079     -177.864     
1 1 1 1  3  17 o 0 11     1.9   12.9 1.9 189.148  -17.7522     43.5417    162.248      180.805     162.248      
1 1 1 1  4  1  o 0 10.1   0.8   10.4 0.8 227.328  44.9544      80.0787    -135.046     251.685     -135.046     
1 1 1 1  4  3  o 0 24.7   1.9   28.2 1.9 335.081  -121.462     0.46673    58.538       246.75      58.538       
1 1 1 1  4  4  o 0 41     3.1   45   3.1 556.585  -154.879     31.1037    25.1212      438.206     25.1212      
1 1 1 1  4  13 o 0 7.9    1.5   7.1  1.5 107.358  -5.92069     43.4524    174.079      119.085     174.079      
1 1 1 1  5  1  o 0 33.7   2.4   34   2.4 393.058  -35.5866     16.9834    -35.5866     281.658     144.413      
1 1 1 1  5  9  o 0 14.9   1.7   16.4 1.7 101.057  -166.459     8.46625    13.5413      76.0766     13.5413      
1 1 1 1  5  17 o 0 19.2   2.2   15.7 2.2 17.1772  121.157      1.20951    121.157      11.0706     -58.8428     
1 1 1 1  6  9  o 0 2.5    0.6   1.5  0.6 228.284  0.468065     134.131    -179.532     286.226     -179.532     
1 1 1 1  7  4  o 0 30     3.1   28.6 3.1 464.535  38.7061      50.2667    -141.294     390.902     -141.294     
1 1 1 1  7  9  o 0 24.1   2.2   22.6 2.2 303.285  10.6371      7.78506    -169.363     209.123     -169.363     
1 1 1 1  8  9  o 0 29.8   2.2   25.9 2.2 218.368  -63.4295     42.6624    -63.4295     110.574     116.571      
1 1 1 1  8  13 o 0 6.6    1.4   5.7  1.4 242.406  37.1931      112.61     -142.807     287.467     -142.807     
1 1 1 1  9  3  f 1 13.9   1.3   10.6 1.3 290.649  42.599       80.9908    -137.401     279.977     -137.401     
1 1 1 1  9  9  o 0 26.9   2     26   2   282.403  -39.9461     18.4486    -39.9461     178.954     140.054      
1 1 1 1  10 4  o 0 3.6    1.2   5.7  1.2 91.545   160.515      47.6932    -19.4847     113.614     -19.4847     
1 1 1 1  10 5  o 0 23.2   1.9   21.8 1.9 174.605  -13.5803     17.3827    -13.5803     107.43      166.42       
1 1 1 1  10 6  o 0 25.3   2.2   30.3 2.2 250.916  -76.7647     36.86      -76.7647     141.247     103.235      
1 1 1 1  10 9  o 0 17.9   1.5   19.1 1.5 41.0805  -62.616      1.7414     -62.616      26.8463     117.384      
1 1 1 1  10 13 o 0 14.9   1.6   10.6 1.6 167.334  -98.7683     29.6598    81.2317      148.841     81.2317      
1 1 1 1  11 4  f 1 1.2    1.4   4    1.4 17.2304  119.162      10.3646    -60.838      22.684      -60.838      
1 1 1 1  11 9  o 0 4.3    0.8   4    0.8 115.249  -178.037     62.3854    1.96313      146.31      1.96313      
1 1 1 1  12 4  o 0 1.9    1.3   4.9  1.3 88.1473  99.0498      49.1985    -80.9502     112.017     -80.9502     
1 1 1 1  12 9  o 0 3.1    0.9   5.7  0.9 36.7925  -0.965148    18.8171    179.035      45.4482     179.035      
1 1 1 1  12 12 o 0 11.2   1.5   14.1 1.5 304.659  -70.224      78.9093    109.776      294.566     109.776      
1 1 1 1  12 13 o 0 15     1.8   16.9 1.8 112.754  -102.961     1.90642    77.0386      77.0684     77.0386      
1 1 1 1  13 4  o 0 22.7   2.3   24.6 2.3 372.337  -98.8202     26.6285    81.1798      303.785     81.1798      
1 1 1 1  13 5  o 0 17.4   2     20.7 2   233.033  -119.789     4.56523    60.2113      176.864     60.2113      
1 1 1 1  13 8  o 0 -1.1   0.9   1.9  0.9 169.892  114.279      116.681    -65.7209     239.692     -65.7209     
1 1 1 1  13 9  o 0 6.2    1     6.2  1   182.608  -106.885     82.6866    73.1149      213.95      73.1149      
1 1 1 1  13 13 o 0 5.8    1.2   5.4  1.2 62.5925  -99.1267     26.6208    80.8733      68.0164     80.8733      
1 1 1 1  14 8  o 0 11.9   1.6   13.3 1.6 129.974  178.563      23.0984    -1.43687     116.479     -1.43687     
1 1 1 1  15 9  o 0 5      1.3   2.8  1.3 77.6551  168.91       38.4601    -11.0899     90.5747     -11.0899     
1 1 1 1  15 13 o 0 0.3    1.4   2.7  1.4 115.315  -178.616     67.5518    1.38417      143.261     1.38417      
1 1 1 2  1  2  o 0 4.3    0.3   -4.2 0.3 77.7274  25.1786      41.869     -154.821     97.4586     -154.821     
1 1 1 2  1  3  o 0 32.5   2.9   35.6 2.9 589.314  30.1782      96.8458    -149.822     517.12      -149.822     
1 1 1 2  1  6  o 0 48.1   3.1   45.1 3.1 491.221  -90.8491     26.991     -90.8491     330.643     89.1509      
1 1 1 2  1  14 o 0 14.5   1.6   16   1.6 230.904  -166.638     39.8589    13.3622      203.567     13.3622      
1 1 1 2  2  2  o 0 23     1.8   18.1 1.8 342.292  60.8289      42.0451    -119.171     285.512     -119.171     
1 1 1 2  2  15 o 0 21.9   2.1   23.2 2.1 312.292  -26.4117     16.9103    153.588      235.08      153.588      
1 1 1 2  3  2  o 0 17.8   1.3   14.7 1.3 177.054  -103.415     18.5977    76.5845      145.736     76.5845      
1 1 1 2  3  15 o 0 7.5    1.4   6.5  1.4 102.215  122.798      42.5859    -57.2016     113.418     -57.2016     
1 1 1 2  4  1  o 0 18.1   1.3   16.4 1.3 208.874  177.027      20.9026    -2.97325     175.431     -2.97325     
1 1 1 2  4  2  o 0 14.9   1.2   16.8 1.2 100.686  49.4334      8.2723     -130.567     81.4141     -130.567     
1 1 1 2  4  11 o 0 17.1   1.8   17.3 1.8 198.651  -30.872      16.8066    149.128      147.582     149.128      
1 1 1 2  5  1  o 0 8.3    0.8   10.3 0.8 246.174  -157.313     95.4673    22.6874      280.728     22.6874      
1 1 1 2  5  2  < 0 1.3    0.4   1.2  0.4 ?        ?            156.787    103.79       ?           ?            
1 1 1 2  5  10 o 0 19.5   1.8   22.9 1.8 212.307  -32.5286     4.2562     -32.5286     134.953     147.471      
1 1 1 2  5  11 o 0 19.3   2     15.7 2   282.161  47.9232      37.1981    -132.077     221.838     -132.077     
1 1 1 2  5  12 o 0 17.5   2     19.5 2   174.376  -9.11095     5.04688    170.889      125.755     170.889      
1 1 1 2  5  16 o 0 6.5    2.1   6    2.1 113.478  -158.989     50.3294    21.0111      131.303     21.0111      
1 1 1 2  6  2  o 0 39.5   2.9   39.2 2.9 399.834  -60.2987     43.8024    -60.2987     254.197     119.701      
1 1 1 2  6  7  o 0 24.1   2.1   19.4 2.1 280.095  -115.422     8.8873     64.5782      193.167     64.5782      
1 1 1 2  6  10 o 0 6.2    1.1   6.9  1.1 171.753  -73.7649     71.3628    106.235      183.532     106.235      
1 1 1 2  6  11 o 0 2.7    1.9   3.2  1.9 181.085  8.94856      104.427    -171.051     229.516     -171.051     
1 1 1 2  6  15 o 0 1.4    1.6   5.1  1.6 236.109  60.1635      131.554    -119.836     299.976     -119.836     
1 1 1 2  7  2  o 0 8.3    1     9.1  1   66.4181  -145.384     24.4326    34.616       73.1722     34.616       
1 1 1 2  7  7  o 0 27.9   2.7   28   2.7 240.117  -122.14      36.3365    -122.14      121.708     57.8603      
1 1 1 2  8  6  o 0 29.6   2.9   29.4 2.9 304.286  -85.8893     27.7043    -85.8893     173.654     94.1107      
1 1 1 2  8  11 f 1 5      1.2   5    1.2 304.828  -88.2626     153.508    91.7374      361.805     91.7374      
1 1 1 2  8  15 o 0 4.2    1.6   7.6  1.6 126.66   178.965      54.901     -1.03486     144.103     -1.03486     
1 1 1 2  9  2  o 0 18.9   2.1   23.9 2.1 220.084  -15.3668     4.75799    -15.3668     145.439     164.633      
1 1 1 2  9  10 o 0 21.1   1.8   23.1 1.8 158.435  135.82       15.8296    135.82       92.8579     -44.1803     
1 1 1 2  9  11 o 0 4.3    1     4.7  1   65.9597  -111.299     34.05      68.7007      81.3879     68.7007      
1 1 1 2  9  15 o 0 5.4    1.6   6    1.6 36.3323  -14.1425     16.3634    165.857      41.7898     165.857      
1 1 1 2  10 6  o 0 25.1   2.2   27.6 2.2 402.2    90.3412      32.4453    -89.6589     314.171     -89.6589     
1 1 1 2  11 6  o 0 14.5   1.8   19.4 1.8 170.501  -61.7486     11.9284    118.251      130.989     118.251      
1 1 1 2  11 11 o 0 12.6   1.6   15.2 1.6 181.959  36.3757      27.0637    -143.624     156.419     -143.624     
1 1 1 2  12 2  o 0 6.5    2     6.8  2   103.437  69.7341      46.0654    -110.266     120.009     -110.266     
1 1 1 2  12 6  o 0 19.6   2     22.8 2   339.464  -175.734     27.6981    4.26634      275.953     4.26634      
1 1 1 2  12 7  o 0 3.1    1.1   3.3  1.1 143.256  151.278      84.1751    -28.7221     188.231     -28.7221     
1 1 1 2  13 2  o 0 10.2   2.3   12.5 2.3 377.148  104.438      132.321    -75.562      413.975     -75.562      
1 1 1 2  13 6  o 0 12.9   1.9   14.7 1.9 200.974  -100.48      34.0037    79.5196      180.153     79.5196      
1 1 1 2  14 2  o 0 12.6   1.9   11.7 1.9 98.6146  -170.296     18.9987    9.70417      92.0541     9.70417      
1 1 1 3  1  12 o 0 27.7   2.6   31.7 2.6 271.702  -121.521     39.5444    -121.521     141.28      58.4793      
1 1 1 3  1  13 o 0 26.3   2.1   26.8 2.1 187.738  101.662      38.2234    101.662      93.8919     -78.3379     
1 1 1 3  1  17 o 0 21.7   2.2   21.9 2.2 230.803  -51.1238     14.3266    -51.1238     152.547     128.876      
1 1 1 3  2  4  o 0 4.9    0.5   6.6  0.5 114.983  42.1492      54.3038    -137.851     135.581     -137.851     
1 1 1 3  2  5  o 0 29.2   1.9   27   1.9 185.034  -0.187862    47.6544    -0.187862    84.5498     179.812      
1 1 1 3  2  13 o 0 16.6   1.8   14.7 1.8 202.055  43.6532      28.1402    -136.347     168.98      -136.347     
1 1 1 3  3  4  < 1 3.2    0.5   3.2  0.5 ?        ?            280.381    -44.2595     ?           ?            
1 1 1 3  3  17 o 0 3      1.9   7.4  1.9 147.736  44.1557      68.3581    -135.844     173.59      -135.844     
1 1 1 3  4  4  < 0 3.4    0.5   3    0.5 ?        ?            97.3392    177.307      ?           ?            
1 1 1 3  4  13 o 0 1.5    1.7   2.8  1.7 7.01395  -75.4176     4.18299    104.582      8.99415     104.582      
1 1 1 3  5  13 o 0 17.8   1.8   15.2 1.8 177.107  80.88        16.4925    -99.12       137.195     -99.12       
1 1 1 3  6  9  o 0 16.8   2     14.1 2   179.442  127.979      21.757     -52.0207     137.641     -52.0207     
1 1 1 3  6  12 f 1 7.7    2.2   9.2  2.2 168.655  -73.0503     61.1112    106.95       175.514     106.95       
1 1 1 3  7  8  o 0 19.7   1.8   22.6 1.8 192.404  -145.387     6.99813    -145.387     117.471     34.6133      
1 1 1 3  7  9  o 0 7.2    1.3   5.6  1.3 198.882  -64.5111     87.8318    115.489      223.87      115.489      
1 1 1 3  7  13 o 0 1.8    1.9   4.1  1.9 143.785  -109.345     83.0704    70.6552      185.052     70.6552      
1 1 1 3  8  8  o 0 21.9   2.5   22   2.5 393.84   -123.908     56.119     56.0916      326.273     56.0916      
1 1 1 3  8  14 f 1 10.3   2.1   15.5 2.1 340.97   174.983      89.5981    -5.01731     328.395     -5.01731     
1 1 1 3  9  1  f 1 1.3    1     1.4  1   228.772  152.328      143.17     -27.6718     298.547     -27.6718     
1 1 1 3  9  3  o 0 8.1    2.2   7.9  2.2 210.891  16.6154      80.4467    -163.385     221.361     -163.385     
1 1 1 3  9  8  o 0 9.1    2     5.7  2   159.353  -2.14941     62.6458    177.851      171.842     177.851      
1 1 1 3  10 3  o 0 14.7   1.9   19.7 1.9 128.113  -91.9315     4.47267    88.0685      95.161      88.0685      
1 1 1 3  10 8  f 1 4.8    2     7.9  2   310.828  -54.9759     140.496    125.024      352.548     125.024      
1 1 1 3  10 9  o 0 11     2.2   12.1 2.2 279.795  -6.30609     79.8554    173.694      280.014     173.694      
1 1 1 3  11 5  o 0 8.8    1.9   12.1 1.9 110.08   -0.648129    30.8461    179.352      107.415     179.352      
1 1 1 3  12 4  o 0 6.2    1.4   4.9  1.4 343.837  18.4104      175.537    -161.59      427.931     -161.59      
1 1 1 3  14 6  o 0 10.8   1.9   12.8 1.9 127.293  -86.7469     26.4373    93.2531      117.598     93.2531      
1 1 1 4  1  1  o 0 57     3.4   47.4 3.4 234.372  175.91       177.181    175.91       1.02874     -4.09042     
1 1 1 4  1  2  o 0 20.9   1.4   20.2 1.4 173.132  -169.095     6.81462    -169.095     121.598     10.9054      
1 1 1 4  1  5  o 0 54.6   3.2   41.9 3.2 456.85   70.4391      57.8417    70.4391      273.581     -109.561     
1 1 1 4  1  11 o 0 32.2   2.6   30.2 2.6 509.825  -74.4579     59.2591    105.542      395.644     105.542      
1 1 1 4  1  15 o 0 0.4    1.6   3    1.6 98.346   41.4523      60.2653    -138.548     128.164     -138.548     
1 1 1 4  2  6  f 1 21.8   2     19.2 2   179.936  2.62461      5.62991    2.62461      120.17      -177.375     
1 1 1 4  2  15 o 0 2.9    1.5   2.6  1.5 64.3958  160.118      38.6751    -19.8816     85.0489     -19.8816     
1 1 1 4  3  2  o 0 29     1.9   27.6 1.9 213.24   -41.2606     47.3167    -41.2606     108.481     138.739      
1 1 1 4  3  7  o 0 10.8   1.7   10.6 1.7 231.434  -72.5639     72.0724    107.436      232.99      107.436      
1 1 1 4  3  15 o 0 15.7   2.4   11.2 2.4 163.123  -163.518     24.357     16.4823      140.903     16.4823      
1 1 1 4  4  2  < 0 1.6    0.4   1.7  0.4 ?        ?            167.132    -17.7397     ?           ?            
1 1 1 4  4  11 o 0 6.3    1.2   6.6  1.2 178.727  -97.5882     78.3884    82.4118      200.235     82.4118      
1 1 1 4  4  15 o 0 9.9    1.8   9.2  1.8 199.771  30.4542      63.9197    -149.546     205.615     -149.546     
1 1 1 4  5  2  o 0 43.8   3.2   42.4 3.2 352.081  106.972      84.5266    106.972      167.628     -73.028      
1 1 1 4  5  8  o 0 9.5    1.1   7.7  1.1 168.816  42.9582      56.8129    -137.042     165.148     -137.042     
1 1 1 4  5  11 o 0 11.1   1.7   6.4  1.7 303.22   -136.013     112.182    43.9869      317.799     43.9869      
1 1 1 4  6  2  o 0 18.6   1.8   20   1.8 183.832  126.031      2.20701    -53.9689     134.1       -53.9689     
1 1 1 4  6  9  o 0 23.4   2.7   20.6 2.7 75.3673  -36.6407     12.2379    -36.6407     38.888      143.359      
1 1 1 4  7  6  o 0 9.3    1.7   10.8 1.7 273.162  55.4127      87.4076    -124.587     263.916     -124.587     
1 1 1 4  7  11 o 0 20.1   2     16.3 2   226.693  -17.9165     16.8346    162.083      169.406     162.083      
1 1 1 4  7  15 o 0 7.3    2.1   -0.9 2.1 190.533  5.04861      98.9562    -174.951     231.633     -174.951     
1 1 1 4  8  2  f 1 12.5   2     13.6 2   131.035  -112.586     24.4832    67.4139      111.846     67.4139      
1 1 1 4  9  7  o 0 4.1    1.6   2.4  1.6 226.261  -79.6086     126.712    100.391      281.1       100.391      
1 1 1 4  9  11 o 0 11.9   1.5   11   1.5 285.38   -10.6736     81.6832    169.326      282.496     169.326      
1 1 1 4  9  15 o 0 9.8    1.9   5.8  1.9 214.173  -128.172     78.0489    51.8284      225.581     51.8284      
1 1 1 4  10 2  o 0 7.8    1.2   8.9  1.2 167.591  -108.164     63.9369    71.8357      182.43      71.8357      
1 1 1 4  10 3  o 0 15.5   1.9   22.9 1.9 30.3794  133.899      2.85668    133.899      18.4426     -46.1007     
1 1 1 4  10 11 o 0 13.8   1.9   15.6 1.9 168.699  -112.318     18.8928    67.6816      137.205     67.6816      
1 1 1 4  11 1  o 0 14.9   1.7   13.3 1.7 219.285  -132.888     44.2713    47.1122      200.009     47.1122      
1 1 1 4  11 6  o 0 2.5    1     3.7  1   209.267  -34.8514     121.705    145.149      272.377     145.149      
1 1 1 4  11 11 o 0 12.1   2     7.7  2   335.335  167.684      114.36     -12.3157     348.631     -12.3157     
1 1 1 4  12 2  o 0 14.6   1.9   14.4 1.9 141.362  56.5425      15.708     -123.458     120         -123.458     
1 1 1 4  12 6  o 0 20.6   2.2   15.4 2.2 340.006  -121.874     50.0679    58.1262      294.082     58.1262      
1 1 1 4  12 7  o 0 16.2   2.1   15.5 2.1 188.198  -59.6474     16.3276    120.353      150.522     120.353      
1 1 1 4  13 7  o 0 7      1.5   7.9  1.5 246.575  77.0303      101.031    -102.97      276.072     -102.97      
1 1 1 4  14 6  o 0 4.5    1.7   5.1  1.7 84.395   -79.2256     40.2927    100.774      96.946      100.774      
1 1 1 5  1  4  o 0 18.2   1.5   16.6 1.5 371.952  133.273      83.1664    -46.7274     356.672     -46.7274     
1 1 1 5  2  9  f 1 35.5   2.9   34.9 2.9 395.122  -80.5859     20.7974    -80.586      235.293     99.414       
1 1 1 5  2  12 o 0 21.3   2     18.2 2   106.003  -14.1397     6.76951    -14.1397     65.986      165.86       
1 1 1 5  2  13 o 0 11.2   1.6   8.7  1.6 225.634  30.3498      73.3773    -149.65      227.84      -149.65      
1 1 1 5  3  4  o 0 10.3   1.1   11.1 1.1 30.7513  -146.414     8.30233    33.5861      29.9638     33.5861      
1 1 1 5  3  12 o 0 9.7    1.5   9.8  1.5 134.188  70.6841      41.8124    -109.316     133.134     -109.316     
1 1 1 5  4  4  o 0 29.3   3     23.8 3   342.29   107.336      2.18145    -72.664      242.194     -72.664      
1 1 1 5  4  5  o 0 16     1.7   11.8 1.7 519.957  160.107      183.889    -19.8929     545.811     -19.8929     
1 1 1 5  5  1  o 0 22.5   1.8   22.9 1.8 238.888  50.0223      7.65102    50.0223      166.079     -129.978     
1 1 1 5  5  5  o 0 32.6   2.5   33.9 2.5 83.2756  -29.2633     44.6607    -29.2633     9.1543      150.737      
1 1 1 5  5  13 o 0 21.5   2.3   15.8 2.3 26.5769  129.599      3.43738    129.599      15.2915     -50.4008     
1 1 1 5  6  4  o 0 24.9   2.5   29.7 2.5 144.952  123.089      39.2639    123.089      55.128      -56.911      
1 1 1 5  7  9  o 0 3.7    1     3.8  1   63.1279  38.3801      33.3103    -141.62      75.773      -141.62      
1 1 1 5  8  4  o 0 3.4    1     2.2  1   74.8511  -157.144     43.1965    22.8563      94.9523     22.8563      
1 1 1 5  8  8  o 0 28.3   2.3   24.7 2.3 402.45   -159.862     30.202     20.1379      301.653     20.1379      
1 1 1 5  8  9  o 0 17.1   1.7   19.6 1.7 158.74   -22.455      3.30971    157.545      109.908     157.545      
1 1 1 5  8  13 f 1 7.2    1.9   5    1.9 232.329  -140.714     102.908    39.2858      263.903     39.2858      
1 1 1 5  10 2  o 0 9.5    1.4   13.1 1.4 47.4813  -61.7275     11.3057    118.273      44.6133     118.273      
1 1 1 5  10 4  o 0 1.7    0.8   1.8  0.8 109.934  -64.9196     68.5572    115.08       144.439     115.08       
1 1 1 5  10 6  o 0 4      1.1   6.5  1.1 315.342  -159.374     153.699    20.6258      368.336     20.6258      
1 1 1 5  12 5  o 0 19.2   1.9   16.1 1.9 131.134  132.238      3.45049    132.238      90.5496     -47.7621     
1 1 1 5  12 9  o 0 6.5    1.8   5    1.8 41.6993  -176.69      18.6299    3.3104       47.7805     3.3104       
1 1 1 5  14 6  o 0 7      1.5   9.5  1.5 143.601  90.0865      46.6241    -89.9135     142.757     -89.9135     
1 1 1 6  1  2  < 1 4.8    0.6   2.3  0.6 ?        ?            200.793    -46.0627     ?           ?            
1 1 1 6  1  11 o 0 15.1   1.6   8    1.6 56.5521  96.6858      11.3996    -83.3142     50.5099     -83.3142     
1 1 1 6  2  2  o 0 6.4    0.9   8.8  0.9 286.657  91.7853      127.607    -88.2147     338.629     -88.2147     
1 1 1 6  2  11 o 0 24.5   2.2   20.1 2.2 181.074  -114.032     15.7105    -114.032     108.264     65.9679      
1 1 1 6  2  15 o 0 5.4    2.3   -0.6 2.3 80.3012  83.8214      46.5901    -96.1786     103.628     -96.1786     
1 1 1 6  3  11 o 0 2.9    1.3   0.1  1.3 216.922  158.757      132.778    -21.2427     280.025     -21.2427     
1 1 1 6  3  15 o 0 12.7   2.2   11.4 2.2 107.725  -77.0213     20.4629    102.979      96.3968     102.979      
1 1 1 6  4  2  o 0 9      1.3   10.5 1.3 227.592  -123.217     80.2152    56.7831      244.396     56.7831      
1 1 1 6  4  7  o 0 8.7    1     6.1  1   178.498  -115.438     66.9814    64.5621      181.643     64.5621      
1 1 1 6  4  10 o 0 6.1    1.4   4.2  1.4 57.4036  152.726      27.0317    -27.2737     65.8131     -27.2737     
1 1 1 6  5  6  o 0 35.6   2.8   36.1 2.8 324.82   4.70644      52.5182    4.70644      156.286     -175.294     
1 1 1 6  5  7  o 0 4.1    0.8   3.1  0.8 256.062  171.756      130.936    -8.24447     294.728     -8.24447     
1 1 1 6  5  10 o 0 11.6   1.7   12.9 1.7 243.823  45.5026      62.8597    -134.497     226.705     -134.497     
1 1 1 6  5  11 o 0 9.1    1.6   9.3  1.6 154.231  -55.7893     50.9598    124.211      154.326     124.211      
1 1 1 6  6  2  o 0 36.3   2.9   38.9 2.9 231.148  107.71       88.2062    107.71       65.4336     -72.2896     
1 1 1 6  6  6  o 0 40.2   2.8   39.9 2.8 403.825  78.3515      39.0515    78.3515      219.951     -101.648     
1 1 1 6  6  9  o 0 36.6   2.6   31.8 2.6 298.596  -91.1546     56.2071    -91.1545     144.276     88.8455      
1 1 1 6  7  2  o 0 26     2.2   26.2 2.2 241.288  83.2624      26.0759    83.2624      133.853     -96.7376     
1 1 1 6  7  9  o 0 23.8   2     15.9 2   246.372  -76.7749     8.68334    103.225      173.657     103.225      
1 1 1 6  8  2  o 0 7.7    1.2   9    1.2 239.753  57.0161      94.1604    -122.984     262.3       -122.984     
1 1 1 6  8  6  f 1 17.3   1.6   14.5 1.6 135.753  -22.7121     12.0313    157.288      103.932     157.288      
1 1 1 6  8  7  f 1 25     2.2   25.4 2.2 179.1    -107.956     30.1095    -107.956     90.4233     72.044       
1 1 1 6  8  10 o 0 24.1   2.1   20.5 2.1 66.4799  81.2287      17.2147    81.2287      29.3018     -98.7713     
1 1 1 6  8  11 o 0 2.2    1.3   3    1.3 19.3513  150.304      11.353     -29.696      24.8364     -29.696      
1 1 1 6  9  2  o 0 7.9    1.2   7.8  1.2 147.655  169.732      58.1374    -10.2684     161.395     -10.2684     
1 1 1 6  10 2  o 0 9      1.9   14   1.9 249.934  134.175      70.3026    -45.8245     244.492     -45.8245     
1 1 1 6  10 5  o 0 10.9   1.3   13.6 1.3 336.338  71.4793      97.9392    -108.521     338.918     -108.521     
1 1 1 6  10 6  o 0 8.1    1.2   10.8 1.2 107.245  179.681      31.6526    -0.318718    107.98      -0.318718    
1 1 1 6  10 11 o 0 8.6    1.7   11.5 1.7 114.616  -17.4564     30.231     162.544      109.565     162.544      
1 1 1 6  11 2  o 0 25     2.3   25.1 2.3 213.883  -63.972      39.1771    -63.972      116.974     116.028      
1 1 1 6  12 2  o 0 7.7    1.5   10.3 1.5 138.662  -118.179     45.4193    61.821       146.147     61.821       
1 1 1 6  12 6  o 0 15.1   1.9   18   1.9 110.57   50.4905      0.476553   -129.509     78.6977     -129.509     
1 1 1 6  12 7  o 0 9.9    1.9   13.7 1.9 149.178  36.3419      30.6157    -143.658     135.497     -143.658     
1 1 1 6  13 6  o 0 5.6    1.3   4.2  1.3 93.4538  134.606      45.5429    -45.3942     111.363     -45.3942     
1 1 1 7  1  4  f 1 13.3   1.7   15.7 1.7 303.537  -2.42015     68.6059    177.58       274.207     177.58       
1 1 1 7  1  9  o 0 2.1    1.2   4.4  1.2 142.236  90.8442      79.1715    -89.1558     178.052     -89.1558     
1 1 1 7  2  9  o 0 20.3   1.9   15.9 1.9 118.872  -166.127     0.101402   -166.127     81.6601     13.8728      
1 1 1 7  2  13 f 1 5.3    1.8   6.4  1.8 272.259  128.441      129.407    -51.5592     323.069     -51.5592     
1 1 1 7  3  13 o 0 7.5    1.8   2.9  1.8 167.828  86.3264      76.9021    -93.6736     195.635     -93.6736     
1 1 1 7  4  4  o 0 14.9   1.3   13   1.3 54.9174  -95.9536     7.20508    84.0464      43.3233     84.0464      
1 1 1 7  4  13 o 0 6.6    2     3.7  2   243.45   25.1116      117.459    -154.888     288.473     -154.888     
1 1 1 7  5  4  o 0 31.6   2.2   29.2 2.2 279.543  -155.803     40.1616    -155.803     142.628     24.1971      
1 1 1 7  5  6  o 0 25.8   1.9   22.6 1.9 263.649  -139.615     10.4279    -139.615     169.627     40.3852      
1 1 1 7  5  8  o 0 14.6   1.6   13.5 1.6 45.8837  122.949      6.00881    -57.051      37.0147     -57.051      
1 1 1 7  6  13 f 1 7.6    2.1   2.1  2.1 131.378  -49.4945     60.0705    130.505      151.047     130.505      
1 1 1 7  7  4  o 0 8      1.1   6.4  1.1 215.724  -11.5467     90.3857    168.453      238.931     168.453      
1 1 1 7  8  8  o 0 20.4   1.8   19   1.8 188.797  117.745      8.49452    117.745      124.376     -62.2552     
1 1 1 7  8  9  o 0 27.2   2.2   23.8 2.2 102.224  84.5066      36.2533    84.5066      35.3322     -95.4934     
1 1 1 7  9  4  o 0 10.8   1.2   10.1 1.2 194.098  -76.7524     58.8102    103.248      191.729     103.248      
1 1 1 7  9  7  f 1 7.5    1.2   5.5  1.2 392.185  -169.709     182.87     10.2912      459.012     10.2912      
1 1 1 7  10 4  o 0 29.3   2.3   28.4 2.3 345.661  135.845      20.9052    135.845      227.311     -44.1545     
1 1 1 7  11 4  o 0 5.3    1.2   6.4  1.2 84.0613  -131.133     38.2011    48.867       98.3422     48.867       
1 1 1 7  11 5  o 0 12.4   1.7   13.8 1.7 234.79   -125.413     49.161     54.5869      216.019     54.5869      
1 1 1 7  11 8  o 0 5.4    1.4   7.5  1.4 143.707  140.164      60.285     -39.8362     160.55      -39.8362     
1 1 1 7  11 9  o 0 9.2    1.5   10   1.5 338.593  25.5036      121.313    -154.496     356.212     -154.496     
1 1 1 7  12 3  o 0 11     1.5   6.1  1.5 206.967  146.469      71.0189    -33.5313     219.396     -33.5313     
1 1 1 7  12 5  o 0 5.7    1.4   7    1.4 67.4766  -54.8506     28.7681    125.149      76.5251     125.149      
1 1 1 7  14 4  o 0 -2.1   1.7   -1   1.7 229.916  23.0086      146.324    -156.991     300.011     -156.991     
1 1 1 8  1  10 o 0 8.3    1.5   8.3  1.5 207.891  -5.33023     79.7709    174.67       223.547     174.67       
1 1 1 8  1  11 o 0 10.7   1.8   8.9  1.8 219.584  175.149      72.9391    -4.85089     224.074     -4.85089     
1 1 1 8  2  2  o 0 3.6    0.7   1.5  0.7 157.354  -52.2095     90.5756    127.79       198.953     127.79       
1 1 1 8  2  5  o 0 18.5   1.7   16.8 1.7 168.142  -64.5583     8.4504     115.442      120.448     115.442      
1 1 1 8  2  7  o 0 11.5   1.3   9.4  1.3 169.534  121.104      50.5831    -58.8964     168.553     -58.8964     
1 1 1 8  2  11 o 0 6.9    1.5   4.2  1.5 78.5079  59.3423      35.7513    -120.658     89.2867     -120.658     
1 1 1 8  3  10 o 0 29.6   2.4   27.7 2.4 241.108  169.802      41.3044    169.802      122.421     -10.1976     
1 1 1 8  4  6  o 0 37.5   2.7   36.4 2.7 297.242  27.5357      71.9638    27.5357      132.672     -152.464     
1 1 1 8  4  10 o 0 14.3   1.9   10   1.9 75.8771  -122.537     15.0356    57.4625      66.1829     57.4625      
1 1 1 8  4  11 o 0 22.6   2.2   22.6 2.2 306.02   -172.807     3.81573    7.19348      219.928     7.19348      
1 1 1 8  5  2  o 0 18.7   1.6   14.9 1.6 105.308  -47.4517     4.39398    132.548      79.0982     132.548      
1 1 1 8  5  3  o 0 30.5   2.6   36.9 2.6 438.679  71.5676      7.71073    -108.432     315.587     -108.432     
1 1 1 8  6  2  o 0 19.7   1.9   23.3 1.9 193.637  -135.734     9.69119    -135.734     126.744     44.266       
1 1 1 8  7  2  o 0 2      1     3.7  1   56.1343  166.351      32.4848    -13.6491     71.8067     -13.6491     
1 1 1 8  7  6  o 0 15.6   1.6   18.7 1.6 321.488  46.7165      56.1366    -133.284     274.093     -133.284     
1 1 1 8  8  2  o 0 12.7   1.6   17   1.6 190.46   -131.186     28.948     48.8137      161.663     48.8137      
1 1 1 8  8  5  o 0 15.9   1.7   19.5 1.7 246.049  105.308      17.4715    -74.6916     193.512     -74.6916     
1 1 1 8  8  10 o 0 6.2    1.6   10.2 1.6 104.234  161.546      34.4517    -18.4539     106.907     -18.4539     
1 1 1 8  9  2  o 0 10.3   1.5   8.5  1.5 285.816  -31.4442     103.4      148.556      311.831     148.556      
1 1 1 8  9  6  o 0 15.3   1.9   16.7 1.9 350.52   -170.889     72.0496    9.11108      320.287     9.11108      
1 1 1 8  9  7  o 0 7.6    1.3   8.3  1.3 248.694  -159.518     96.7524    20.4818      271.794     20.4818      
1 1 1 8  10 2  o 0 8.3    1.7   11.7 1.7 77.6238  -106.494     20.842     73.5059      77.1558     73.5059      
1 1 1 8  10 6  o 0 21     2.1   24.3 2.1 457.233  46.5924      76.0896    -133.408     398.754     -133.408     
1 1 1 8  10 7  o 0 17     2.1   21.5 2.1 246.125  84.7505      5.84665    -95.2495     178.479     -95.2495     
1 1 1 8  11 2  o 0 3.9    1.5   0.1  1.5 331.929  80.8622      207.161    -99.1378     446.639     -99.1378     
1 1 1 8  11 6  o 0 7.7    1.8   8.6  1.8 157.559  66.6622      56.7668    -113.338     167.519     -113.338     
1 1 1 8  11 7  o 0 6.8    1.6   8.7  1.6 181.411  78.1006      68.1609    -101.899     194.916     -101.899     
1 1 1 8  11 8  o 0 15     1.9   10.6 1.9 240.203  123.852      47.4402    -56.1484     205.104     -56.1484     
1 1 1 8  12 2  o 0 8.5    2     12.5 2   174.194  63.2772      46.6276    -116.723     171.548     -116.723     
1 1 1 9  1  4  o 0 23.2   1.8   24.9 1.8 382.391  24.2232      38.6593    -155.777     315.096     -155.777     
1 1 1 9  2  2  o 0 15     1.3   14.1 1.3 346.567  160.562      93.7778    -19.4379     346.867     -19.4379     
1 1 1 9  2  9  o 0 9.3    1.6   11.8 1.6 119.446  -68.3502     33.2644    111.65       115.49      111.65       
1 1 1 9  2  11 o 0 21.6   2.2   18.8 2.2 266.068  33.8563      6.19593    -146.144     196.852     -146.144     
1 1 1 9  3  5  o 0 7.7    1.1   4.4  1.1 332.903  142.054      158.183    -37.9461     391.582     -37.9461     
1 1 1 9  3  8  o 0 12.2   1.6   13.4 1.6 219.361  119.506      51.7402    -60.4944     202.287     -60.4944     
1 1 1 9  4  1  o 0 23.5   1.8   25.3 1.8 193.572  37.3119      26.6039    37.3119      113.363     -142.688     
1 1 1 9  4  4  o 0 32     2.4   34.7 2.4 301.937  10.3357      52.4186    10.3357      159.292     -169.664     
1 1 1 9  4  9  o 0 6.6    1.5   4.4  1.5 131.701  -150.06      61.3585    29.9398      155.19      29.9398      
1 1 1 9  5  2  o 0 26     1.8   21.5 1.8 302.298  19.5296      4.37115    -160.47      218.735     -160.47      
1 1 1 9  5  4  o 0 24.8   2.1   23.6 2.1 162.27   -114.542     26.5539    -114.542     86.3641     65.4579      
1 1 1 9  5  9  o 0 1.7    1.4   3.7  1.4 191.214  173.429      112.721    -6.57095     248.066     -6.57095     
1 1 1 9  6  1  o 0 13.2   1.3   12   1.3 141.371  65.526       30.9968    -114.474     131.45      -114.474     
1 1 1 9  6  4  o 0 10.1   1.5   11.6 1.5 172.172  -61.8584     49.0192    118.142      168.052     118.142      
1 1 1 9  6  9  o 0 7.1    1.7   6.9  1.7 169.432  19.2883      69.4402    -160.712     188.695     -160.712     
1 1 1 9  7  4  o 0 6.3    1.3   6.5  1.3 111.719  -122.628     49.0382    57.3723      129.825     57.3723      
1 1 1 9  8  4  o 0 24.7   2.2   19.5 2.2 245.224  9.23475      14.2635    9.23475      162.154     -170.765     
1 1 1 9  9  4  o 0 1.6    1.4   3.6  1.4 136.406  112.75       81.7131    -67.2505     179.363     -67.2505     
1 1 1 9  9  5  o 0 0.8    1.4   1.9  1.4 227.926  136.268      146.363    -43.7322     308.418     -43.7322     
1 1 1 10 1  1  o 0 1.4    0.8   0.6  0.8 88.4908  -32.1499     61.7881    147.85       127.618     147.85       
1 1 1 10 1  7  o 0 3.3    1.3   2.8  1.3 246.058  148.162      144.987    -31.8376     318.261     -31.8376     
1 1 1 10 2  6  f 1 2.7    1.2   3.2  1.2 71.3746  -30.2744     41.8298    149.726      91.8493     149.726      
1 1 1 10 3  2  o 0 33.9   2.4   34.3 2.4 244.709  -173.141     74.2565    -173.141     102.191     6.85895      
1 1 1 10 3  7  o 0 12.5   1.4   9.5  1.4 189.72   96.5776      49.8691    -83.4224     187.812     -83.4224     
1 1 1 10 4  2  o 0 7.3    1.2   6.9  1.2 303.478  -36.2114     138.422    143.789      355.156     143.789      
1 1 1 10 4  6  o 0 11.7   1.4   10.1 1.4 198.127  -75.3643     54.2721    104.636      198.166     104.636      
1 1 1 10 4  7  f 1 10.2   1.4   5.9  1.4 128.824  -44.3593     45.0382    135.641      137.718     135.641      
1 1 1 10 5  2  o 0 2.6    1     3.5  1   148.689  30.9365      86.8344    -149.064     192.095     -149.064     
1 1 1 10 5  6  o 0 18.5   1.9   15.5 1.9 61.8435  176.444      2.38849    176.444      42.1986     -3.55645     
1 1 1 10 6  2  o 0 24.9   2.2   24.5 2.2 119.388  -149.26      37.7816    -149.26      50.4117     30.7396      
1 1 1 10 6  4  o 0 23.2   2.2   23.3 2.2 144.838  -57.7021     32.3547    -57.7021     72.9078     122.298      
1 1 1 10 7  1  o 0 18.3   1.9   18.4 1.9 219.84   -154.485     6.92078    25.5146      169.414     25.5146      
1 1 1 10 8  2  o 0 12.5   1.6   12.3 1.6 108.282  112.183      19.7034    -67.8166     98.5547     -67.8166     
1 1 1 10 8  3  o 0 4.6    1.3   4.1  1.3 314.703  -127.857     171.137    52.1435      398.637     52.1435      
1 1 1 10 8  4  o 0 20.2   2.2   21.4 2.2 324.783  -155.097     24.3103    24.9033      257.436     24.9033      
1 1 1 10 8  7  o 0 3.4    1.7   -0.6 1.7 156.944  -66.909      97.7232    113.091      208.21      113.091      
1 1 1 10 11 1  o 0 13.8   1.9   9.7  1.9 304.097  134.745      81.7366    -45.2548     287.945     -45.2548     
1 1 1 11 1  9  o 0 1.6    2     4.5  2   92.8314  115.521      54.4318    -64.4795     122.169     -64.4795     
1 1 1 11 2  8  o 0 11.6   1.8   4.3  1.8 154.585  71.6082      50.0029    -108.392     162.565     -108.392     
1 1 1 11 3  4  o 0 19.2   1.9   18   1.9 139.127  143.721      7.70666    143.721      95.7117     -36.2793     
1 1 1 11 5  3  o 0 4.8    1.4   7    1.4 235.815  24.3018      112.73     -155.698     286.43      -155.698     
1 1 1 11 5  5  o 0 2.9    1.9   2.5  1.9 53.4648  72.4409      32.2039    -107.559     70.9998     -107.559     
1 1 1 11 6  1  o 0 9.1    1.6   12.6 1.6 150.46   -62.7512     38.6596    117.249      150.282     117.249      
1 1 1 11 8  5  o 0 10.4   1.8   7.9  1.8 215.314  135.116      72.3298    -44.8838     225.464     -44.8838     
1 1 1 12 1  2  o 0 9.4    1.4   11   1.4 52.8722  -168.843     14.7009    11.1571      55.1924     11.1571      
1 1 1 12 1  3  o 0 22     2.1   22.8 2.1 84.5867  126.281      22.5529    126.281      41.7374     -53.7194     
1 1 1 12 2  1  o 0 22.7   2.2   26.1 2.2 125.903  44.0164      39.0232    44.0164      57.2463     -135.984     
1 1 1 12 2  2  f 1 6.8    1.3   4.6  1.3 98.248   -96.2658     47.4748    83.7342      121.854     83.7342      
1 1 1 12 2  6  o 0 3.3    2     -0.4 2   142.812  -11.7494     92.059     168.251      197.285     168.251      
1 1 1 12 4  1  o 0 21.9   2.1   19.3 2.1 335.434  -116.972     31.394     63.0279      283.266     63.0279      
1 1 1 12 4  2  o 0 13.9   1.8   13.6 1.8 201.661  -129.305     35.7422    50.6945      186.094     50.6945      
1 1 1 12 6  3  o 0 15.7   2     17.2 2   217.764  -83.2168     19.6702    96.7832      178.263     96.7832      
1 1 1 14 2  1  o 0 9.6    1.9   7.8  1.9 87.438   -82.9247     28.5691    97.0753      90.6567     97.0753      
1 1 1 0  0  6  o 0 226.9  29.4  ?    ?   888.505  180          522.457    180          182.781     2.00564e-14  
1 1 1 0  0  8  o 0 1628.8 209.8 ?    ?   2049.1   180          1375.75    180          251.487     3.83845e-14  
1 1 1 0  0  10 o 0 1472.5 268.4 ?    ?   2038.76  0            1233.82    0            335.225     180          
1 1 1 0  0  12 o 0 314.6  40.9  ?    ?   902.16   180          545.698    180          90.2616     4.24212e-14  
1 1 1 0  0  14 o 0 35.8   5.2   ?    ?   599.524  0            157.938    0            282.43      180          
1 1 1 0  0  16 o 0 74.3   10.2  ?    ?   601.853  0            252.923    0            180.119     180          
1 1 1 0  0  18 o 0 17.4   3.9   ?    ?   57.3978  180          11.0316    180          31.4058     2.46469e-15  
1 1 1 0  0  20 o 0 27.6   7.2   ?    ?   472.911  0            106.568    0            215.288     180          
1 1 1 0  0  22 o 0 19.2   6.9   ?    ?   198.939  0            34.0018    0            98.1574     180          
1 1 1 0  0  24 o 0 38.9   7.5   ?    ?   24.3749  0            9.32488    0            6.53209     180          
1 1 1 0  0  26 o 0 472.6  61.8  ?    ?   692.053  0            556.51     0            151.823     0            
1 1 1 0  0  28 o 0 12.2   12.3  ?    ?   38.2615  180          2.91701    180          18.5995     1.10045e-15  
1 1 1 0  0  30 o 0 16.9   12.6  ?    ?   336.251  180          34.0617    180          149.787     1.5956e-15   
1 1 1 0  0  32 o 0 170.5  35.6  ?    ?   253.996  180          276.969    180          133.963     180          
1 1 1 0  0  34 o 0 53.7   13.2  ?    ?   332.271  0            143.32     0            22.5824     180          
1 1 1 0  0  36 f 1 231.1  32.5  ?    ?   798.962  180          331.422    180          29.5561     7.86806e-14  
1 1 1 0  0  38 f 1 163.3  24.4  ?    ?   93.249   180          265.946    180          212.876     180          
1 1 1 0  0  40 o 0 10.7   14.5  ?    ?   19.9632  0            4.1727     0            6.42094     180          
1 1 1 0  0  42 o 0 25.4   15.8  ?    ?   131.638  0            53.9081    0            9.6323      180          
1 1 1 0  1  2  < 0 -0.3   0.1   ?    ?   ?        ?            99.5004    -90          ?           ?            
1 1 1 0  1  3  o 0 0.3    0.2   ?    ?   571.814  -90          2.61322    -90          440.273     90           
1 1 1 0  1  4  o 0 492.5  45.1  ?    ?   1039.49  -90          757.042    -90          51.4718     90           
1 1 1 0  1  5  o 0 1806.8 164.6 ?    ?   1959.88  -90          1441.01    -90          85.8248     90           
1 1 1 0  1  6  o 0 1      0.4   ?    ?   53.1311  90           0.988441   90           40.3874     -90          
1 1 1 0  1  7  o 0 28.9   2.8   ?    ?   7.75491  90           5.03919    90           1.04991     -90          
1 1 1 0  1  8  o 0 893.4  81.5  ?    ?   1593.52  -90          1023.17    -90          224.082     90           
1 1 1 0  1  9  o 0 89.3   9.6   ?    ?   334.85   90           307.035    90           50.958      90           
1 1 1 0  1  10 f 1 961.6  124.1 ?    ?   1271.9   90           1021.1     90           55.9886     90           
1 1 1 0  1  11 o 0 19.7   3     ?    ?   252.106  90           84.5647    90           92.699      -90          
1 1 1 0  1  12 o 0 708.9  74.8  ?    ?   1085.91  90           811.64     90           53.4352     90           
1 1 1 0  1  13 o 0 45.1   4.5   ?    ?   293.978  90           175.403    90           28.2603     -90          
1 1 1 0  1  14 o 0 148.9  13.8  ?    ?   315.205  -90          385.308    -90          155.643     -90          
1 1 1 0  1  15 o 0 -0.2   1.6   ?    ?   54.0312  -90          0.554822   -90          38.446      90           
1 1 1 0  1  16 o 0 27     3.6   ?    ?   235.238  90           107.362    90           60.7266     -90          
1 1 1 0  1  17 f 1 7.8    2.4   ?    ?   145.232  -90          23.2788    -90          84.4232     90           
1 1 1 0  1  18 o 0 220.5  20.4  ?    ?   448.394  -90          489.687    -90          160.151     -90          
1 1 1 0  1  19 o 0 127.2  13.9  ?    ?   94.4446  90           229.753    90           161.194     90           
1 1 1 0  1  20 o 0 90.6   10.2  ?    ?   387.627  -90          285.664    -90          23.2334     -90          
1 1 1 0  1  21 o 0 41.3   9.6   ?    ?   15.0296  90           12.6618    90           2.57867     90           
1 1 1 0  1  22 o 0 95.4   11    ?    ?   138.43   -90          214.457    -90          122.919     -90          
1 1 1 0  1  23 o 0 46.1   6.6   ?    ?   457.088  -90          192.215    -90          105.495     90           
1 1 1 0  1  24 o 0 8.1    3.9   ?    ?   55.5604  90           6.92109    90           29.0766     -90          
1 1 1 0  1  25 o 0 560.6  51.6  ?    ?   1509.76  -90          618.255    -90          273.98      90           
1 1 1 0  1  26 o 0 19.9   4.8   ?    ?   164.675  -90          52.5039    -90          43.4468     90           
1 1 1 0  1  27 o 0 4.6    5.7   ?    ?   134.422  90           8.04695    90           68.8864     -90          
1 1 1 0  1  28 o 0 30.1   6.2   ?    ?   185.628  90           84.0067    90           20.0515     -90          
1 1 1 0  1  29 o 0 17.5   7.2   ?    ?   68.4573  90           17.2808    90           20.3622     -90          
1 1 1 0  1  30 o 0 1085.5 114.9 ?    ?   1196.17  90           774.053    90           121.861     90           
1 1 1 0  1  31 o 0 40.5   11.4  ?    ?   228.119  90           128.536    90           2.34267     -90          
1 1 1 0  1  32 o 0 134.9  16.8  ?    ?   528.482  -90          281.067    -90          15.7504     90           
1 1 1 0  1  33 o 0 59.1   9.6   ?    ?   308.708  -90          178.092    -90          11.8887     -90          
1 1 1 0  1  34 o 0 65.6   10.4  ?    ?   517.944  -90          186.546    -90          71.5061     90           
1 1 1 0  1  35 o 0 20.3   8.1   ?    ?   213.264  -90          72.1656    -90          27.9839     90           
1 1 1 0  1  36 o 0 66.7   10.3  ?    ?   463.515  90           179.252    90           30.315      -90          
1 1 1 0  1  37 o 0 144.1  17.8  ?    ?   432.495  90           257.035    90           57.4392     90           
1 1 1 0  1  38 o 0 88     11.4  ?    ?   344.8    90           243.179    90           46.7583     90           
1 1 1 0  1  39 o 0 73.1   12.4  ?    ?   219.406  -90          213.542    -90          91.4861     -90          
1 1 1 0  1  40 o 0 15.6   11.4  ?    ?   144.893  -90          59.7333    -90          17.049      90           
1 1 1 0  1  41 o 0 14.5   8.9   ?    ?   215.893  -90          67.999     -90          40.2598     90           
1 1 1 0  1  42 o 0 -0.6   15.7  ?    ?   133.722  -90          32.2437    -90          32.2274     90           
1 1 1 0  1  43 o 0 14.5   9.2   ?    ?   185.64   90           65.3641    90           9.19215     -90          
1 1 1 0  2  1  < 0 -0.3   0.2   ?    ?   ?        ?            535.098    -3.04037e-14 ?           ?            
1 1 1 0  2  2  < 0 -0.2   0.1   ?    ?   ?        ?            17.1902    0            ?           ?            
1 1 1 0  2  3  o 0 6.2    0.8   ?    ?   98.8901  3.14467e-13  13.2308    0            62.3212     -180         
1 1 1 0  2  4  o 0 88.8   8.2   ?    ?   380.518  180          311.092    180          19.9129     180          
1 1 1 0  2  5  o 0 5.9    0.7   ?    ?   295.159  -180         35.5568    180          190.657     3.47856e-14  
1 1 1 0  2  6  o 0 29.2   2.8   ?    ?   80.9682  180          50.5715    180          11.5138     3.08192e-14  
1 1 1 0  2  7  o 0 4      0.7   ?    ?   333.223  -180         27.3751    180          230.535     4.73785e-15  
1 1 1 0  2  8  o 0 9.4    1.3   ?    ?   9.25351  180          1.90952    180          5.23782     2.55804e-15  
1 1 1 0  2  9  o 0 1063.6 112.1 ?    ?   1132.66  -1.23262e-14 1072.54    0            216.874     4.86327e-14  
1 1 1 0  2  10 o 0 182.1  19.4  ?    ?   694.946  180          445.191    180          77.5491     4.02813e-14  
1 1 1 0  2  11 o 0 7.6    1.5   ?    ?   46.7372  -6.71552e-14 6.89017    0            25.6299     180          
1 1 1 0  2  12 o 0 276.3  29.4  ?    ?   401.625  180          503.501    180          225.792     180          
1 1 1 0  2  13 o 0 771.8  81.6  ?    ?   1268.95  180          881.972    180          42.1871     1.26273e-13  
1 1 1 0  2  14 o 0 9.5    2     ?    ?   78.8969  180          14.9293    180          42.0715     2.48991e-15  
1 1 1 0  2  15 o 0 9.1    2.1   ?    ?   47.0515  -1.21006e-14 8.42427    0            25.2697     180          
1 1 1 0  2  16 o 0 11.2   2.1   ?    ?   413.373  180          81.9613    180          226.429     2.53986e-15  
1 1 1 0  2  17 o 0 237.4  22    ?    ?   703.956  180          510.348    180          9.37768     1.04647e-14  
1 1 1 0  2  18 o 0 409.3  37.6  ?    ?   376.677  0            661.28     0            386.279     0            
1 1 1 0  2  19 o 0 72.5   8.4   ?    ?   420.231  -6.07047e-15 271.664    0            31.4887     180          
1 1 1 0  2  20 o 0 6.2    4.1   ?    ?   197.945  180          17.2476    180          115.974     1.04352e-15  
1 1 1 0  2  21 o 0 7.1    4.7   ?    ?   140.49   -9.50372e-15 14.351     0            79.3737     180          
1 1 1 0  2  22 o 0 292.8  31.4  ?    ?   276.448  180          500.937    180          319.104     180          
1 1 1 0  2  23 o 0 43.5   7.7   ?    ?   283.23   180          163.987    180          19.5572     4.23492e-14  
1 1 1 0  2  24 o 0 4.8    3.9   ?    ?   154.422  0            9.93562    0            89.6355     180          
1 1 1 0  2  25 f 1 -3.7   4.9   ?    ?   3.62193  180          0.0701312  180          2.05512     -8.95234e-13 
1 1 1 0  2  26 o 0 43     6.2   ?    ?   263.717  180          140.089    180          12.9039     7.61757e-14  
1 1 1 0  2  27 o 0 70.5   8.4   ?    ?   193.775  180          172.078    180          61.6333     180          
1 1 1 0  2  28 o 0 6.5    5.7   ?    ?   26.9327  0            2.15029    0            12.8882     180          
1 1 1 0  2  29 o 0 819.3  106.4 ?    ?   1110.22  180          682.175    180          73.9765     180          
1 1 1 0  2  30 o 0 88.2   12.5  ?    ?   106.156  0            146.63     0            88.9567     0            
1 1 1 0  2  31 o 0 93.2   12.8  ?    ?   391.046  -3.84123e-16 237.069    0            13.4771     6.37278e-15  
1 1 1 0  2  32 o 0 140.7  17.4  ?    ?   207.683  0            278.802    0            162.536     0            
1 1 1 0  2  33 o 0 23.5   9.2   ?    ?   121.385  -4.10948e-16 51.5289    0            13.6216     180          
1 1 1 0  2  34 f 1 277.7  26.7  ?    ?   1009.97  180          384.481    180          115.942     2.32684e-14  
1 1 1 0  2  35 o 0 106.1  12.7  ?    ?   492.636  -5.67793e-17 232.094    0            1.39705     9.37606e-15  
1 1 1 0  2  36 o 0 301.4  29    ?    ?   980.112  0            380.776    0            61.1776     180          
1 1 1 0  2  37 o 0 17     8     ?    ?   304.533  -6.77282e-15 72.0858    0            68.0994     180          
1 1 1 0  2  38 f 1 35.1   10.1  ?    ?   103.867  0            119.228    0            60.3523     0            
1 1 1 0  2  39 o 0 -10    8.8   ?    ?   129.445  180          10.3545    180          61.4905     -1.48928e-14 
1 1 1 0  2  40 o 0 11.6   9.4   ?    ?   5.61866  180          2.36499    180          0.605988    2.73842e-14  
1 1 1 0  2  41 o 0 17.6   8.8   ?    ?   54.1508  180          37.0482    180          9.95058     -180         
1 1 1 0  2  42 o 0 38.5   17.9  ?    ?   203.736  0            112.398    0            14.3636     0            
1 1 1 0  2  43 o 0 1.7    8.1   ?    ?   61.7566  -9.15137e-15 15.6084    0            9.14793     180          
1 1 1 0  3  2  < 1 -0.2   0.1   ?    ?   ?        ?            176.316    90           ?           ?            
1 1 1 0  3  3  o 0 179.9  19.2  ?    ?   411.608  -90          448.064    -90          134.129     -90          
1 1 1 0  3  4  o 0 67.4   6.3   ?    ?   379.868  -90          265.12     -90          23.7076     90           
1 1 1 0  3  5  o 0 35.9   3.4   ?    ?   480.769  -90          190.885    -90          174.232     90           
1 1 1 0  3  6  o 0 427.3  39.1  ?    ?   992.174  -90          695.063    -90          65.4988     90           
1 1 1 0  3  7  o 0 189.7  20.1  ?    ?   634.099  90           462.49     90           22.9713     -90          
1 1 1 0  3  8  o 0 1797.6 189.1 ?    ?   1632.91  -90          1375.07    -90          150.893     -90          
1 1 1 0  3  9  o 0 602.5  63.6  ?    ?   834.563  -90          801.852    -90          178.052     -90          
1 1 1 0  3  10 o 0 56.1   6.2   ?    ?   238.887  -90          187.198    -90          21.7985     -90          
1 1 1 0  3  11 o 0 104.3  11.3  ?    ?   352.389  -90          303.106    -90          60.3108     -90          
1 1 1 0  3  12 o 0 187    20    ?    ?   625.793  -90          410.762    -90          17.9041     90           
1 1 1 0  3  13 o 0 1106.8 143.2 ?    ?   1028.57  90           1033.84    90           291.424     90           
1 1 1 0  3  14 o 0 1213.6 110.8 ?    ?   1445.96  90           1085.18    90           49.3899     90           
1 1 1 0  3  15 o 0 1.6    1.5   ?    ?   71.3234  -90          1.59586    -90          49.0656     90           
1 1 1 0  3  16 f 1 61.8   6.1   ?    ?   105.095  90           134.63     90           57.0316     90           
1 1 1 0  3  17 o 0 132.6  12.5  ?    ?   503.557  90           378.844    90           9.81398     90           
1 1 1 0  3  18 o 0 569.4  73.8  ?    ?   574.492  90           764.469    90           348.004     90           
1 1 1 0  3  19 o 0 11.2   4.1   ?    ?   105.367  -90          22.2462    -90          53.253      90           
1 1 1 0  3  20 o 0 307.4  32.8  ?    ?   885.807  90           525.04     90           70.0367     -90          
1 1 1 0  3  21 o 0 13.7   3.2   ?    ?   45.6453  -90          12.6053    -90          17.6581     90           
1 1 1 0  3  22 o 0 201.2  21.9  ?    ?   708.339  90           414.17     90           48.9852     -90          
1 1 1 0  3  23 o 0 397.7  42.4  ?    ?   730.732  -90          573.276    -90          97.4101     -90          
1 1 1 0  3  24 o 0 14.5   5.1   ?    ?   40.5427  -90          10.1999    -90          15.7998     90           
1 1 1 0  3  25 o 0 -6.9   4.6   ?    ?   45.3232  90           0.584302   90           25.9395     -90          
1 1 1 0  3  27 o 0 235.3  22.4  ?    ?   546.58   90           383.763    90           73.7342     90           
1 1 1 0  3  28 o 0 45.9   7.9   ?    ?   172.394  90           113.959    90           18.1457     90           
1 1 1 0  3  29 o 0 128.6  15.5  ?    ?   402.312  -90          272.062    -90          52.6509     -90          
1 1 1 0  3  31 o 0 811.2  86.2  ?    ?   950.756  90           693.147    90           151.771     90           
1 1 1 0  3  32 o 0 166.4  20    ?    ?   573.195  90           309.811    90           3.3689      -90          
1 1 1 0  3  33 o 0 23.1   9.2   ?    ?   351.959  -90          93.9177    -90          94.2632     90           
1 1 1 0  3  34 o 0 109    15    ?    ?   253.692  -90          237.875    -90          112.316     -90          
1 1 1 0  3  35 o 0 176.1  18.3  ?    ?   605.019  90           298.039    90           15.7225     90           
1 1 1 0  3  36 o 0 64.2   9.8   ?    ?   246.478  90           173.117    90           62.3556     90           
1 1 1 0  3  37 o 0 132.6  14.6  ?    ?   396.097  -90          245.963    -90          64.231      -90          
1 1 1 0  3  38 f 1 -6.7   8.7   ?    ?   122.183  90           10.8138    90           58.2229     -90          
1 1 1 0  3  39 o 0 3.1    8.7   ?    ?   262.484  -90          36.9104    -90          108.328     90           
1 1 1 0  3  40 o 0 29.2   8.5   ?    ?   163.309  -90          121.41     -90          35.3121     -90          
1 1 1 0  3  41 o 0 3.4    7.8   ?    ?   166.921  90           27.6907    90           55.6002     -90          
1 1 1 0  3  42 o 0 -7.4   11.9  ?    ?   120.485  90           18.1574    90           39.6585     -90          
1 1 1 0  3  43 o 0 2.4    11.4  ?    ?   52.1748  -90          17.509     -90          3.3509      90           
1 1 1 0  4  1  o 0 234.7  21.5  ?    ?   981.564  -180         526.043    180          241.364     3.08003e-14  
1 1 1 0  4  2  o 0 2.4    0.7   ?    ?   3.08878  0            0.151738   0            2.22996     180          
1 1 1 0  4  3  o 0 47.4   5.1   ?    ?   417.212  180          220.136    180          98.4701     -6.4958e-14  
1 1 1 0  4  4  o 0 1595.3 145.2 ?    ?   2020.85  0            1320.38    0            213.43      180          
1 1 1 0  4  5  o 0 131.8  12.1  ?    ?   317.819  -180         378.736    180          135.994     180          
1 1 1 0  4  6  o 0 35.2   3.3   ?    ?   6.95054  0            5.33831    0            0.044432    0            
1 1 1 0  4  7  o 0 298.3  31.5  ?    ?   745.795  -1.85111e-14 564.217    0            8.24889     1.24763e-12  
1 1 1 0  4  8  o 0 19.7   2.3   ?    ?   190.88   180          72.5941    180          69.3041     7.3498e-15   
1 1 1 0  4  10 o 0 711.7  75.1  ?    ?   1238.59  180          799.266    180          50.6747     1.10671e-13  
1 1 1 0  4  11 o 0 5.7    1.4   ?    ?   152.368  -1.15005e-14 15.9536    0            88.0966     180          
1 1 1 0  4  12 o 0 59.5   6.6   ?    ?   244.229  180          193.382    180          27.5484     180          
1 1 1 0  4  13 o 0 40.3   4.8   ?    ?   216.773  -1.11063e-14 142.192    0            12.9349     180          
1 1 1 0  4  14 o 0 147.6  19.5  ?    ?   138.45   180          300.364    180          202.015     180          
1 1 1 0  4  15 o 0 10.2   1.9   ?    ?   117.649  180          23.2481    180          59.6424     2.73506e-15  
1 1 1 0  4  16 o 0 11.9   2.7   ?    ?   166.888  0            41.5711    0            81.0019     180          
1 1 1 0  4  17 o 0 1021.8 132.2 ?    ?   1559.59  -1.67734e-15 1014.12    0            120.148     180          
1 1 1 0  4  18 o 0 36.1   4.7   ?    ?   388.876  180          178.878    180          100.958     1.24323e-14  
1 1 1 0  4  19 o 0 13.1   3.2   ?    ?   132.798  -180         35.5159    180          58.9624     2.37053e-14  
1 1 1 0  4  20 o 0 41.4   4.8   ?    ?   94.1093  180          77.6329    180          14.8456     180          
1 1 1 0  4  21 o 0 37.5   4.7   ?    ?   320.855  -1.29522e-14 159.108    0            52.209      180          
1 1 1 0  4  22 o 0 1570.6 143.5 ?    ?   1445.9   0            1141.42    0            202.076     0            
1 1 1 0  4  23 o 0 23.5   5.1   ?    ?   440.644  180          123.004    180          162.166     -1.71705e-14 
1 1 1 0  4  24 o 0 114.1  13.2  ?    ?   475.657  180          278.644    180          2.52547     7.74179e-13  
1 1 1 0  4  25 o 0 29.2   5.2   ?    ?   363.51   180          120.976    180          90.5146     -1.80177e-14 
1 1 1 0  4  26 o 0 241    22.8  ?    ?   318.85   0            392.386    0            209.376     0            
1 1 1 0  4  27 o 0 60.1   8.9   ?    ?   175.935  -180         142.596    180          43.3486     180          
1 1 1 0  4  28 f 1 6.7    6.4   ?    ?   32.2122  0            2.644      0            15.1182     180          
1 1 1 0  4  29 o 0 120.6  14.8  ?    ?   263.141  -4.24053e-15 257.566    0            113.147     5.41251e-15  
1 1 1 0  4  30 o 0 514.1  47.8  ?    ?   1166.06  0            564.86     0            102.455     180          
1 1 1 0  4  31 o 0 503.5  46.8  ?    ?   1065.32  180          547.742    180          55.9365     5.24896e-14  
1 1 1 0  4  32 o 0 162    16.7  ?    ?   500.399  180          304.981    180          32.859      180          
1 1 1 0  4  33 o 0 -17.1  10.4  ?    ?   316.694  180          10.7158    180          157.839     -8.69031e-15 
1 1 1 0  4  34 f 1 583.3  62.4  ?    ?   1087.02  180          545.71     180          11.4747     180          
1 1 1 0  4  35 o 0 68     10.3  ?    ?   465.41   -8.41378e-15 183.58     0            32.6592     180          
1 1 1 0  4  36 o 0 99.1   12.3  ?    ?   145.042  180          208.21     180          143.304     180          
1 1 1 0  4  37 o 0 138    17.7  ?    ?   355.964  180          308.51     180          106.65      180          
1 1 1 0  4  38 o 0 0.2    9.3   ?    ?   63.245   0            9.4676     0            26.2185     180          
1 1 1 0  4  39 o 0 192    22.8  ?    ?   577.316  180          343.964    180          25.7458     -180         
1 1 1 0  4  40 o 0 31.2   9.7   ?    ?   219.067  0            126.729    0            11.6658     0            
1 1 1 0  4  41 o 0 7.8    7.9   ?    ?   84.7667  -1.13972e-14 23.5411    0            18.6029     180          
1 1 1 0  4  42 o 0 11.7   12    ?    ?   193.575  0            56.6853    0            30.669      180          
1 1 1 0  5  1  o 0 86.6   8     ?    ?   142.649  -90          223.391    -90          111.912     -90          
1 1 1 0  5  2  o 0 33.8   3.2   ?    ?   244.017  -90          143.643    -90          44.7256     90           
1 1 1 0  5  3  o 0 30.5   3.3   ?    ?   9.83196  90           6.61613    90           0.975133    -90          
1 1 1 0  5  4  o 0 20.4   2     ?    ?   139.704  90           59.2466    90           47.8061     -90          
1 1 1 0  5  5  o 0 460.1  48.4  ?    ?   836.06   90           715.274    90           78.2497     90           
1 1 1 0  5  6  o 0 697.4  73.4  ?    ?   1381.06  90           858.445    90           169.466     -90          
1 1 1 0  5  7  o 0 351.9  37.1  ?    ?   872.938  -90          609.174    -90          38.0107     90           
1 1 1 0  5  8  o 0 616.7  79.7  ?    ?   1575.1   90           797.482    90           365.824     -90          
1 1 1 0  5  9  o 0 513    54.1  ?    ?   1034.88  90           677.637    90           30.2693     -90          
1 1 1 0  5  10 o 0 107.2  10    ?    ?   419.429  90           307.666    90           22.0522     90           
1 1 1 0  5  11 o 0 11.4   1.6   ?    ?   332.841  -90          62.3466    -90          163.144     90           
1 1 1 0  5  12 f 1 64.7   6.2   ?    ?   287.634  90           228.743    90           23.7558     90           
1 1 1 0  5  13 o 0 667.2  70.6  ?    ?   1074.14  -90          798.776    -90          36.3215     -90          
1 1 1 0  5  14 o 0 516.3  66.9  ?    ?   856.158  -90          693.844    -90          90.5625     -90          
1 1 1 0  5  15 o 0 49.4   5.8   ?    ?   464.757  90           226.812    90           114.882     -90          
1 1 1 0  5  16 o 0 19.4   3.1   ?    ?   560.65   90           134.011    90           274.533     -90          
1 1 1 0  5  18 o 0 1024.9 108.2 ?    ?   1137.7   -90          1012.29    -90          199.783     -90          
1 1 1 0  5  19 o 0 223.5  20.8  ?    ?   699.526  -90          447.99     -90          18.7689     90           
1 1 1 0  5  20 o 0 677.2  62.1  ?    ?   1168.25  -90          767.63     -90          6.16785     90           
1 1 1 0  5  21 o 0 2.1    3     ?    ?   105.608  -90          3.61021    -90          65.4534     90           
1 1 1 0  5  22 o 0 102    10.1  ?    ?   648.199  90           291.538    90           126.67      -90          
1 1 1 0  5  23 o 0 390.8  41.7  ?    ?   912.965  90           561.057    90           25.8158     -90          
1 1 1 0  5  24 o 0 269.4  29.1  ?    ?   632.119  90           425.849    90           54.6399     90           
1 1 1 0  5  25 o 0 181.9  20.1  ?    ?   711.832  90           344.589    90           68.17       -90          
1 1 1 0  5  26 o 0 903.4  82.9  ?    ?   1575.28  90           753.208    90           145.323     -90          
1 1 1 0  5  27 o 0 985.6  104.2 ?    ?   1181.82  -90          768.229    -90          107.033     -90          
1 1 1 0  5  28 o 0 40.8   7.9   ?    ?   347.677  -90          141.526    -90          49.5422     90           
1 1 1 0  5  29 o 0 19.4   7.3   ?    ?   162.827  -90          47.0029    -90          41.844      90           
1 1 1 0  5  30 o 0 523.1  56.1  ?    ?   713.012  -90          564.584    -90          158.844     -90          
1 1 1 0  5  31 o 0 38.3   8.2   ?    ?   159.888  -90          103.525    -90          13.4218     -90          
1 1 1 0  5  32 o 0 1.3    7.6   ?    ?   170.924  -90          11.2933    -90          81.1569     90           
1 1 1 0  5  33 f 1 51.9   10.3  ?    ?   664.939  90           165.731    90           166.651     -90          
1 1 1 0  5  34 o 0 34.1   9.5   ?    ?   293.328  -90          121.712    -90          22.0797     90           
1 1 1 0  5  36 o 0 92.1   16.2  ?    ?   196.358  -90          202.937    -90          115.497     -90          
1 1 1 0  5  37 f 1 31.3   9.3   ?    ?   75.3414  90           78.4361    90           36.0253     90           
1 1 1 0  5  38 o 0 218    30.8  ?    ?   717.546  90           370.74     90           32.2435     -90          
1 1 1 0  5  39 o 0 265.2  25.8  ?    ?   727.484  90           403.644    90           4.48672     90           
1 1 1 0  5  40 f 1 4.6    8.9   ?    ?   4.00507  -90          0.904574   -90          1.18427     90           
1 1 1 0  5  41 o 0 1.4    7.9   ?    ?   65.092   -90          11.8243    -90          20.0316     90           
1 1 1 0  5  42 o 0 -6.1   9.1   ?    ?   147.65   90           18.6214    90           47.7232     -90          
1 1 1 0  6  1  o 0 294.6  27    ?    ?   812.098  -5.6284e-15  593.548    0            46.1789     180          
1 1 1 0  6  2  o 0 40     3.8   ?    ?   417.165  180          203.157    180          121.905     1.16935e-14  
1 1 1 0  6  3  o 0 362.5  38.2  ?    ?   850.077  -2.74411e-15 643.597    0            12.4691     180          
1 1 1 0  6  4  o 0 2149.4 226   ?    ?   2333.47  180          1502.09    180          250.801     4.20242e-14  
1 1 1 0  6  5  o 0 179.1  23.2  ?    ?   899.41   -1.53737e-14 436.707    0            234.402     180          
1 1 1 0  6  6  o 0 64     8.4   ?    ?   547.994  0            258.161    0            148.411     180          
1 1 1 0  6  7  o 0 87.9   9.4   ?    ?   297.542  -180         288.095    180          68.4576     180          
1 1 1 0  6  8  f 1 71.5   6.7   ?    ?   490.852  180          251.609    180          82.8666     2.1305e-14   
1 1 1 0  6  9  o 0 1736.2 158.2 ?    ?   1867.11  -8.22312e-15 1231.77    0            37.5994     180          
1 1 1 0  6  10 o 0 396.6  36.3  ?    ?   1024.23  0            590.818    0            101.944     180          
1 1 1 0  6  11 o 0 72     6.8   ?    ?   559.976  180          264.978    180          134.577     7.41456e-15  
1 1 1 0  6  12 o 0 48.2   5.5   ?    ?   215.363  180          161.953    180          9.22604     180          
1 1 1 0  6  13 o 0 1155.7 122.1 ?    ?   1182.61  180          1035.07    180          202.065     -180         
1 1 1 0  6  14 o 0 508.7  53.8  ?    ?   1045.42  0            687.137    0            43.7743     180          
1 1 1 0  6  15 o 0 15.4   2.7   ?    ?   117.272  -2.03324e-14 38.9243    0            46.6204     180          
1 1 1 0  6  16 o 0 151.5  16.3  ?    ?   347.367  0            396.787    0            145.643     0            
1 1 1 0  6  17 o 0 504.1  53.4  ?    ?   692.732  180          716.966    180          220.929     180          
1 1 1 0  6  18 o 0 365.3  38.9  ?    ?   485.818  180          605.894    180          261.615     180          
1 1 1 0  6  19 o 0 13.2   2.8   ?    ?   123.512  2.56077e-14  32.38      0            49.7851     -180         
1 1 1 0  6  20 o 0 13.3   3.1   ?    ?   373.076  180          77.7035    180          167.547     3.25414e-15  
1 1 1 0  6  21 o 0 109    10.6  ?    ?   415.662  -1.66129e-15 301.996    0            32.1831     1.39277e-14  
1 1 1 0  6  22 o 0 404.9  37.4  ?    ?   508.599  180          576.043    180          246.829     180          
1 1 1 0  6  23 o 0 12.9   3.9   ?    ?   193.652  -1.48158e-14 42.3641    0            81.2278     180          
1 1 1 0  6  24 o 0 24.3   5.5   ?    ?   189.54   0            70.7755    0            39.7483     180          
1 1 1 0  6  25 o 0 26.4   6     ?    ?   266.058  -1.16311e-14 94.6329    0            58.5767     180          
1 1 1 0  6  26 o 0 176.8  24.2  ?    ?   645.702  180          330.648    180          35.1605     6.59848e-14  
1 1 1 0  6  28 o 0 6.1    7.3   ?    ?   87.8482  180          6.8443     180          41.1183     1.16796e-15  
1 1 1 0  6  30 o 0 18     7.3   ?    ?   482.099  180          88.2597    180          187.171     3.30869e-15  
1 1 1 0  6  31 o 0 608.6  65.1  ?    ?   1154.09  180          592.065    180          54.3057     6.70668e-14  
1 1 1 0  6  32 o 0 60.5   10.9  ?    ?   480.983  0            182.277    0            76.3078     180          
1 1 1 0  6  33 o 0 18.1   7.8   ?    ?   97.6519  -3.81744e-14 34.2297    0            14.4191     180          
1 1 1 0  6  34 o 0 15     9.1   ?    ?   88.5009  180          23.9669    180          17.6453     9.53049e-15  
1 1 1 0  6  36 o 0 35.5   9.5   ?    ?   270.529  0            120.541    0            0.746326    0            
1 1 1 0  6  37 o 0 204.2  23.7  ?    ?   439.496  -7.74765e-15 370.596    0            123.923     1.5422e-14   
1 1 1 0  6  38 o 0 27.6   11    ?    ?   248.781  0            116.504    0            22.4602     180          
1 1 1 0  6  39 o 0 62.1   9.7   ?    ?   385.902  -4.72327e-15 194.11     0            11.9268     180          
1 1 1 0  6  40 o 0 18.6   9.1   ?    ?   106.452  180          64.8894    180          11.0445     180          
1 1 1 0  6  41 o 0 93.2   11.7  ?    ?   442.394  180          225.771    180          10.3713     180          
1 1 1 0  6  42 o 0 2      9     ?    ?   157.19   0            29.1757    0            41.1008     180          
1 1 1 0  7  1  o 0 8.5    1.1   ?    ?   146.752  -90          26.6803    -90          86.3517     90           
1 1 1 0  7  2  o 0 2.6    0.8   ?    ?   182.852  90           9.39481    90           130.082     -90          
1 1 1 0  7  3  o 0 56.9   6.2   ?    ?   505.574  90           246.834    90           135.337     -90          
1 1 1 0  7  4  o 0 432.8  78.8  ?    ?   682.81   90           671.199    90           159.237     90           
1 1 1 0  7  5  o 0 528.6  55.6  ?    ?   1458.72  -90          748.498    -90          337.364     90           
1 1 1 0  7  6  o 0 13.9   1.7   ?    ?   299.337  -90          69.7778    -90          136.107     90           
1 1 1 0  7  7  o 0 69.1   7.4   ?    ?   125.906  90           147.784    90           61.6972     90           
1 1 1 0  7  8  o 0 693.4  63.3  ?    ?   1087.11  90           783.828    90           44.7189     90           
1 1 1 0  7  9  f 1 119.9  12.9  ?    ?   251.408  -90          307.057    -90          137.521     -90          
1 1 1 0  7  10 o 0 403.3  42.7  ?    ?   728.311  -90          626.455    -90          107.11      -90          
1 1 1 0  7  11 o 0 19.5   2.2   ?    ?   74.4688  -90          28.9579    -90          23.8222     90           
1 1 1 0  7  12 o 0 28.2   3.1   ?    ?   492.216  90           153.57     90           193.02      -90          
1 1 1 0  7  14 o 0 13.2   2.4   ?    ?   273.517  -90          69.8314    -90          129.797     90           
1 1 1 0  7  15 o 0 13.1   5.2   ?    ?   45.4843  -90          11.0851    -90          21.8374     90           
1 1 1 0  7  16 o 0 -0.2   2.8   ?    ?   181.333  90           3.60796    90           126.471     -90          
1 1 1 0  7  17 o 0 77.5   8.8   ?    ?   116.655  -90          171.052    -90          88.1767     -90          
1 1 1 0  7  18 o 0 146.2  13.8  ?    ?   221.908  -90          343.636    -90          196.218     -90          
1 1 1 0  7  19 o 0 59.3   6.2   ?    ?   728.306  90           227.202    90           253.499     -90          
1 1 1 0  7  20 o 0 7      2.9   ?    ?   156.138  -90          18.1644    -90          83.6767     90           
1 1 1 0  7  21 o 0 514.6  47.3  ?    ?   1055.04  90           652.513    90           27.0335     -90          
1 1 1 0  7  22 o 0 371.1  34.3  ?    ?   933.109  90           547.415    90           51.9561     -90          
1 1 1 0  7  23 o 0 395.6  36.6  ?    ?   857.588  -90          516.7      -90          12.9871     -90          
1 1 1 0  7  24 o 0 89.5   13.2  ?    ?   428.234  -90          239.465    -90          9.13277     90           
1 1 1 0  7  25 o 0 53.4   9.5   ?    ?   466.691  -90          179.537    -90          87.2195     90           
1 1 1 0  7  26 o 0 772.9  100.4 ?    ?   1433     -90          680.017    -90          125.893     90           
1 1 1 0  7  27 o 0 160.2  18.4  ?    ?   650.44   90           308.108    90           50.7748     -90          
1 1 1 0  7  28 o 0 210.9  20.5  ?    ?   640.062  90           347.833    90           3.14501     -90          
1 1 1 0  7  29 o 0 407    38.1  ?    ?   826.138  90           503.279    90           30.3984     90           
1 1 1 0  7  30 f 1 479.4  44.7  ?    ?   775.855  90           535.28     90           96.2051     90           
1 1 1 0  7  32 o 0 25.2   7.6   ?    ?   234.745  90           91.8563    90           33.5034     -90          
1 1 1 0  7  33 o 0 181.5  21.3  ?    ?   689.236  -90          309.07     -90          32.0372     90           
1 1 1 0  7  34 f 1 26.3   8.8   ?    ?   291.109  -90          101.13     -90          34.5095     90           
1 1 1 0  7  35 o 0 238.6  33    ?    ?   605.304  90           334.879    90           62.2602     90           
1 1 1 0  7  36 o 0 20.7   10.6  ?    ?   139.847  90           56.9784    90           7.39986     -90          
1 1 1 0  7  37 o 0 21.5   7.9   ?    ?   163.37   -90          96.4981    -90          3.53925     -90          
1 1 1 0  7  38 o 0 42.6   8.6   ?    ?   282.44   90           162.508    90           5.36073     90           
1 1 1 0  7  39 o 0 84.3   12.7  ?    ?   231.155  -90          224.218    -90          101.545     -90          
1 1 1 0  7  40 o 0 49     12.7  ?    ?   249.15   -90          160.003    -90          34.726      -90          
1 1 1 0  7  41 o 0 10.1   7.8   ?    ?   79.2182  -90          29.8259    -90          8.51974     90           
1 1 1 0  7  42 o 0 8.9    9.4   ?    ?   98.8492  -90          33.6165    -90          10.3224     90           
1 1 1 0  8  0  o 0 1048.4 135.4 ?    ?   930.747  180          1082.37    180          362.673     -180         
1 1 1 0  8  1  o 0 17.2   2.2   ?    ?   100.91   180          36.9916    180          40.3652     6.43027e-15  
1 1 1 0  8  2  o 0 33.2   3.8   ?    ?   442.597  0            178.726    0            157.617     180          
1 1 1 0  8  3  o 0 59.8   6.5   ?    ?   293.765  180          214.37     180          8.51285     180          
1 1 1 0  8  4  o 0 5.6    1.1   ?    ?   71.8336  180          7.7867     180          42.1517     1.2962e-15   
1 1 1 0  8  5  o 0 1184.3 124.5 ?    ?   1688.52  180          1032.58    180          132.613     2.21729e-14  
1 1 1 0  8  6  o 0 23.2   2.4   ?    ?   371.472  180          119.32     180          135.261     6.18976e-15  
1 1 1 0  8  7  o 0 65.2   7.2   ?    ?   444.365  -180         236.805    180          65.7573     5.23524e-14  
1 1 1 0  8  8  o 0 3.4    1.1   ?    ?   208.192  0            12.1427    0            128.725     180          
1 1 1 0  8  9  o 0 357    37.7  ?    ?   724.82   -2.91574e-15 589.826    0            72.796      2.07089e-14  
1 1 1 0  8  10 o 0 254.9  23.4  ?    ?   793.461  0            496.544    0            65.8725     180          
1 1 1 0  8  11 f 1 40.2   4     ?    ?   437.101  -4.45811e-15 185.721    0            121.278     180          
1 1 1 0  8  12 o 0 580.4  53.1  ?    ?   949.284  0            735.949    0            72.1255     0            
1 1 1 0  8  13 o 0 161.6  15.1  ?    ?   502.88   -180         416.728    180          49.5511     180          
1 1 1 0  8  14 o 0 15.9   3.2   ?    ?   375.899  0            98.7441    0            173.551     180          
1 1 1 0  8  15 o 0 7.4    2.7   ?    ?   50.9122  -180         7.23792    180          29.3295     2.07439e-14  
1 1 1 0  8  16 o 0 -2.3   2.9   ?    ?   114.26   0            1.56077    0            79.7598     180          
1 1 1 0  8  17 o 0 162.3  15.3  ?    ?   341.684  -180         401.441    180          160.629     180          
1 1 1 0  8  18 o 0 189.6  17.7  ?    ?   692.371  0            407.683    0            50.7013     180          
1 1 1 0  8  19 o 0 80.6   8     ?    ?   17.2516  -180         28.7939    180          17.4993     180          
1 1 1 0  8  20 o 0 81.1   8.2   ?    ?   224.02   0            232.556    0            87.6185     0            
1 1 1 0  8  21 o 0 20.9   3.8   ?    ?   248.551  -180         85.0799    180          75.4097     1.64366e-14  
1 1 1 0  8  22 o 0 87     9     ?    ?   321.7    0            255.303    0            50.3228     0            
1 1 1 0  8  23 o 0 667.1  61.2  ?    ?   1243.51  8.34844e-16  664.507    0            60.0459     -180         
1 1 1 0  8  24 o 0 262.4  28.4  ?    ?   642.753  0            410.869    0            40.6981     0            
1 1 1 0  8  25 f 1 47.4   13.2  ?    ?   346.724  0            153.702    0            42.4176     180          
1 1 1 0  8  26 o 0 22.6   8.4   ?    ?   249.081  180          71.9224    180          66.7671     7.55849e-15  
1 1 1 0  8  27 o 0 112.6  14    ?    ?   277.529  -180         249.324    180          97.3784     180          
1 1 1 0  8  28 o 0 18.3   6.3   ?    ?   47.9963  0            14.6151    0            11.5025     180          
1 1 1 0  8  29 o 0 17.3   6.7   ?    ?   147.018  -180         39.8339    180          43.6824     2.85461e-14  
1 1 1 0  8  30 o 0 27.9   7.5   ?    ?   69.6633  180          38.1219    180          1.10821     2.41372e-13  
1 1 1 0  8  31 o 0 236.2  22.9  ?    ?   858.941  9.43494e-17  366.223    0            98.5027     -180         
1 1 1 0  8  32 o 0 13.1   7.9   ?    ?   174.018  180          36.9422    180          50.3813     5.14501e-15  
1 1 1 0  8  33 o 0 5.8    7.3   ?    ?   170.851  180          17.423     180          66.5215     -5.18101e-15 
1 1 1 0  8  34 o 0 35.2   9.3   ?    ?   98.7812  0            75.985     0            30.1697     0            
1 1 1 0  8  35 o 0 57.9   18.3  ?    ?   153.764  -2.63282e-14 139.321    0            70.5574     2.5659e-14   
1 1 1 0  8  37 o 0 11.4   9     ?    ?   34.8741  180          12.6695    180          7.03762     1.26318e-14  
1 1 1 0  8  38 f 1 -3.5   7.3   ?    ?   47.4124  0            4.48592    0            21.6471     180          
1 1 1 0  8  39 o 0 32     8.2   ?    ?   232.958  180          133.312    180          10.5127     -180         
1 1 1 0  8  40 f 1 18.3   9.3   ?    ?   74.191   180          48.6186    180          11.657      180          
1 1 1 0  8  41 f 1 77     14.5  ?    ?   370.619  -2.69733e-15 197.656    0            29.8937     1.51372e-14  
1 1 1 0  8  42 o 0 28.1   15.4  ?    ?   152.553  180          87.1749    180          25.9862     180          
1 1 1 0  9  1  o 0 3      1.3   ?    ?   306.668  90           14.5821    90           202.783     -90          
1 1 1 0  9  2  o 0 9.9    1.4   ?    ?   32.5212  90           6.4213     90           16.4478     -90          
1 1 1 0  9  3  o 0 227.7  24.2  ?    ?   774.878  90           461.556    90           79.0615     -90          
1 1 1 0  9  4  o 0 469.8  49.7  ?    ?   407.997  -90          656.508    -90          374.036     -90          
1 1 1 0  9  5  o 0 85.8   11.4  ?    ?   223.034  -90          242.871    -90          89.5938     -90          
1 1 1 0  9  6  o 0 16.7   2.2   ?    ?   30.7405  90           10.5524    90           11.6999     -90          
1 1 1 0  9  7  o 0 31     3.1   ?    ?   26.9308  -90          17.1254    -90          2.2357      90           
1 1 1 0  9  8  f 1 19.2   2.1   ?    ?   276.424  -90          90.1816    -90          106.705     90           
1 1 1 0  9  9  o 0 45.6   4.5   ?    ?   76.5845  -90          68.3236    -90          14.0007     -90          
1 1 1 0  9  10 o 0 69.7   7.5   ?    ?   318.584  90           242.368    90           17.9253     90           
1 1 1 0  9  11 o 0 8.3    1.6   ?    ?   141.852  90           22.5236    90           76.7114     -90          
1 1 1 0  9  12 o 0 112.1  10.5  ?    ?   255.125  90           331.268    90           144.904     90           
1 1 1 0  9  13 o 0 285.5  30.4  ?    ?   668.426  -90          547.831    -90          63.3272     -90          
1 1 1 0  9  14 o 0 34     4.2   ?    ?   250.23   90           143.642    90           36.2512     -90          
1 1 1 0  9  15 o 0 95.8   12.9  ?    ?   298.689  -90          301.009    -90          88.1494     -90          
1 1 1 0  9  16 o 0 2.5    2.7   ?    ?   42.2182  90           1.63824    90           28.1691     -90          
1 1 1 0  9  18 o 0 153.4  14.6  ?    ?   134.663  90           301.391    90           212.972     90           
1 1 1 0  9  19 o 0 17.2   3.2   ?    ?   36.6569  -90          12.6944    -90          11.1054     90           
1 1 1 0  9  20 o 0 371.7  34.3  ?    ?   954.271  90           552.941    90           59.293      -90          
1 1 1 0  9  21 o 0 1288.3 117.7 ?    ?   1294.36  90           1011.49    90           182.742     90           
1 1 1 0  9  23 o 0 217.2  20.5  ?    ?   520.674  90           376.901    90           75.1462     90           
1 1 1 0  9  24 o 0 16.2   5.2   ?    ?   4.78022  90           1.24236    90           1.48759     -90          
1 1 1 0  9  25 o 0 13.3   5.4   ?    ?   39.4032  -90          7.84547    -90          14.2657     90           
1 1 1 0  9  26 o 0 88.3   11.7  ?    ?   431.377  -90          227.426    -90          10.7745     90           
1 1 1 0  9  27 o 0 311.5  33.9  ?    ?   927.073  -90          422.233    -90          86.9536     90           
1 1 1 0  9  28 o 0 29.8   7     ?    ?   349.317  -90          121.273    -90          79.1702     90           
1 1 1 0  9  29 o 0 17.4   6.8   ?    ?   333      -90          76.0719    -90          113.496     90           
1 1 1 0  9  30 o 0 5.9    6.6   ?    ?   419.752  90           31.695     90           202.778     -90          
1 1 1 0  9  31 o 0 65.6   9.6   ?    ?   269.975  90           186.063    90           41.1615     90           
1 1 1 0  9  32 o 0 11.8   7.3   ?    ?   128.714  -90          25.5836    -90          38.494      90           
1 1 1 0  9  33 o 0 -3.2   8.8   ?    ?   106.619  -90          6.68415    -90          43.459      90           
1 1 1 0  9  36 o 0 36.8   9.7   ?    ?   104.288  -90          114.539    -90          55.8254     -90          
1 1 1 0  9  37 o 0 55.8   10.4  ?    ?   150.441  -90          183.504    -90          99.1335     -90          
1 1 1 0  9  38 o 0 16.9   8.7   ?    ?   161.976  -90          74.1978    -90          12.71       90           
1 1 1 0  9  39 o 0 124.4  19.7  ?    ?   439.562  90           264.614    90           40.9719     90           
1 1 1 0  9  40 o 0 -3.3   10.6  ?    ?   125.957  -90          20.6346    -90          41.1094     90           
1 1 1 0  9  41 o 0 11.7   9     ?    ?   141.814  90           50.8589    90           13.0311     -90          
1 1 1 0  10 0  o 0 306.8  40    ?    ?   361.041  -180         523.939    180          268.006     180          
1 1 1 0  10 1  o 0 311.2  28.6  ?    ?   731.794  0            544.976    0            29.7751     0            
1 1 1 0  10 2  o 0 1      1.4   ?    ?   102.865  180          1.70132    180          74.5703     1.60086e-16  
1 1 1 0  10 3  o 0 30.8   6.1   ?    ?   435.89   -180         162.035    180          158.789     1.77922e-14  
1 1 1 0  10 4  o 0 75.2   9.9   ?    ?   324.508  0            263.298    0            26.2079     0            
1 1 1 0  10 5  o 0 521.5  47.7  ?    ?   1040.13  1.14186e-15  725.304    0            29.1138     -180         
1 1 1 0  10 6  o 0 33.1   3.3   ?    ?   126.032  180          80.1132    180          10.6461     5.28014e-14  
1 1 1 0  10 7  o 0 17.1   2     ?    ?   190.31   -3.16076e-16 61.1657    0            74.916      180          
1 1 1 0  10 8  o 0 722.3  66    ?    ?   1214.34  180          832.932    180          29.2959     1.99497e-13  
1 1 1 0  10 9  o 0 523.8  48    ?    ?   498.021  2.45339e-15  705.39     0            354.267     -2.43162e-15 
1 1 1 0  10 10 o 0 14.4   1.8   ?    ?   112.175  0            35.7689    0            46.826      180          
1 1 1 0  10 11 o 0 22     2.6   ?    ?   101.546  -2.34463e-14 48.8126    0            25.4049     180          
1 1 1 0  10 12 o 0 41.9   4.8   ?    ?   177.409  0            139.001    0            10.3324     0            
1 1 1 0  10 13 o 0 429.3  45.5  ?    ?   807.186  -1.32536e-15 665.27     0            84.5519     9.10282e-15  
1 1 1 0  10 14 o 0 19.7   2.9   ?    ?   144.697  0            58.7875    0            44.4306     180          
1 1 1 0  10 15 o 0 2.2    2.4   ?    ?   95.5978  180          3.27358    180          64.3095     3.57176e-16  
1 1 1 0  10 16 o 0 716.5  75.8  ?    ?   993.156  0            789.197    0            129.038     0            
1 1 1 0  10 17 f 1 22.7   4.1   ?    ?   177.965  180          74.1037    180          42.6997     8.08436e-15  
1 1 1 0  10 19 f 1 374    34.5  ?    ?   615.595  -4.55167e-15 556.42     0            161.201     1.11594e-14  
1 1 1 0  10 20 o 0 28.2   4.2   ?    ?   116.509  0            61.0786    0            13.8085     180          
1 1 1 0  10 21 o 0 60.7   6.9   ?    ?   120.046  -4.76749e-14 116.449    0            45.7946     7.35554e-14  
1 1 1 0  10 22 o 0 375.9  34.8  ?    ?   551.597  0            498.017    0            177.667     0            
1 1 1 0  10 23 f 1 787.4  83.3  ?    ?   951.289  180          706.927    180          161.872     180          
1 1 1 0  10 24 o 0 212.8  23.3  ?    ?   466.723  180          363.609    180          99.415      180          
1 1 1 0  10 25 o 0 51.4   10.1  ?    ?   100.519  180          83.2756    180          27.3656     -180         
1 1 1 0  10 26 o 0 150.3  17.5  ?    ?   148.413  180          257.259    180          176.027     180          
1 1 1 0  10 27 o 0 102    13.2  ?    ?   576.584  180          239.454    180          74.4568     4.96215e-15  
1 1 1 0  10 28 o 0 13.8   7.6   ?    ?   3.04464  0            0.667222   0            1.08249     180          
1 1 1 0  10 29 o 0 182.2  18.2  ?    ?   588.386  180          329.112    180          2.93249     4.69837e-13  
1 1 1 0  10 30 o 0 427.3  40    ?    ?   868.816  180          492.796    180          21.3473     180          
1 1 1 0  10 31 o 0 120.5  13.4  ?    ?   383.471  -4.85398e-15 257.074    0            63.9229     1.4667e-14   
1 1 1 0  10 32 o 0 7.4    7     ?    ?   81.3745  0            10.1887    0            29.9766     180          
1 1 1 0  10 33 o 0 271.1  30.1  ?    ?   526.102  0            367.388    0            122.057     0            
1 1 1 0  10 34 o 0 262.8  29.4  ?    ?   518.508  180          353.592    180          120.264     180          
1 1 1 0  10 35 o 0 360.4  34.1  ?    ?   738.795  0            501.716    0            79.6178     0            
1 1 1 0  10 36 o 0 -1.1   10.2  ?    ?   44.6949  0            6.84631    0            18.6101     180          
1 1 1 0  10 37 o 0 16.7   9.1   ?    ?   81.2133  0            45.1567    0            0.11424     180          
1 1 1 0  10 38 o 0 24     11.3  ?    ?   156.414  180          93.1016    180          9.86278     180          
1 1 1 0  10 39 o 0 31.7   9.1   ?    ?   286.983  -180         128.617    180          16.2137     7.04406e-14  
1 1 1 0  10 40 o 0 33.4   9.3   ?    ?   236.765  180          128.336    180          13.2058     180          
1 1 1 0  10 41 o 0 48.1   10.4  ?    ?   273.449  180          152.977    180          41.979      180          
1 1 1 0  11 1  o 0 131    17.3  ?    ?   616.205  90           370.737    90           85.9516     -90          
1 1 1 0  11 2  o 0 0.8    1.8   ?    ?   102.796  -90          1.77404    -90          73.9072     90           
1 1 1 0  11 3  f 1 128.4  13.8  ?    ?   645.151  -90          363.271    -90          107.227     90           
1 1 1 0  11 4  o 0 257.5  27.5  ?    ?   445.805  -90          509.93     -90          186.265     -90          
1 1 1 0  11 5  o 0 82.5   10.9  ?    ?   115.44   -90          169.426    -90          86.2077     -90          
1 1 1 0  11 6  o 0 19.8   2.9   ?    ?   113.469  90           44.0222    90           37.1926     -90          
1 1 1 0  11 7  o 0 1.7    0.9   ?    ?   155.316  90           3.95571    90           106.417     -90          
1 1 1 0  11 8  o 0 742.9  67.9  ?    ?   830.819  90           902.059    90           285.487     90           
1 1 1 0  11 9  o 0 24.3   2.7   ?    ?   181.209  -90          89.5138    -90          43.9846     90           
1 1 1 0  11 10 o 0 178.3  16.6  ?    ?   311.231  -90          435.569    -90          207.991     -90          
1 1 1 0  11 11 o 0 13.2   1.9   ?    ?   132.622  -90          37.7501    -90          58.481      90           
1 1 1 0  11 12 o 0 313.4  33.2  ?    ?   514.246  -90          570.044    -90          199.88      -90          
1 1 1 0  11 13 f 1 270.7  35.1  ?    ?   810.598  90           523.792    90           53.347      -90          
1 1 1 0  11 14 o 0 134.4  17.6  ?    ?   154.302  90           292.102    90           188.939     90           
1 1 1 0  11 15 o 0 30.2   5     ?    ?   267.823  -90          126.182    -90          52.0567     90           
1 1 1 0  11 16 o 0 51.8   7.8   ?    ?   338.018  -90          197.877    -90          24.8949     90           
1 1 1 0  11 17 o 0 531.7  56.5  ?    ?   769.459  -90          669.613    -90          167.69      -90          
1 1 1 0  11 18 o 0 42.5   6     ?    ?   81.6619  -90          67.4136    -90          14.7208     -90          
1 1 1 0  11 19 o 0 325.1  30    ?    ?   648.272  90           514.382    90           96.4522     90           
1 1 1 0  11 20 f 1 253    23.7  ?    ?   292.458  -90          414.579    -90          242.281     -90          
1 1 1 0  11 21 o 0 232.6  21.8  ?    ?   634.061  -90          393.691    -90          23.9191     -90          
1 1 1 0  11 22 o 0 21.3   4.8   ?    ?   57.661   -90          21.0514    -90          12.2297     90           
1 1 1 0  11 23 o 0 19     5.2   ?    ?   301.482  -90          75.8006    -90          95.7825     90           
1 1 1 0  11 24 o 0 25.8   6     ?    ?   58.3203  90           25.8283    90           6.80783     -90          
1 1 1 0  11 25 o 0 363.5  33.9  ?    ?   691.053  90           463.845    90           83.0422     90           
1 1 1 0  11 26 f 1 416.7  38.9  ?    ?   739.64   90           488.256    90           83.6022     90           
1 1 1 0  11 27 o 0 131.3  15.7  ?    ?   409.789  90           286.055    90           51.0516     90           
1 1 1 0  11 28 o 0 12.6   7.6   ?    ?   26.1759  -90          5.03691    -90          9.86666     90           
1 1 1 0  11 29 o 0 28.3   8.4   ?    ?   30.761   -90          19.2812    -90          2.42827     -90          
1 1 1 0  11 30 o 0 16.4   6.9   ?    ?   252.319  -90          62.8459    -90          72.8104     90           
1 1 1 0  11 31 o 0 109.4  12.5  ?    ?   370.905  90           242.615    90           57.5064     90           
1 1 1 0  11 32 o 0 -3.6   7.9   ?    ?   133.43   -90          7.14756    -90          55.8114     90           
1 1 1 0  11 33 o 0 175.1  20.7  ?    ?   713.328  90           293.047    90           31.9971     -90          
1 1 1 0  11 34 o 0 271.9  30.3  ?    ?   801.773  -90          355.707    -90          1.82944     90           
1 1 1 0  11 35 o 0 9.8    10.5  ?    ?   195.244  90           44.1862    90           66.3604     -90          
1 1 1 0  11 36 o 0 16.4   8.4   ?    ?   92.4535  90           48.2078    90           3.97945     -90          
1 1 1 0  11 37 o 0 1.7    8     ?    ?   93.6636  90           14.1913    90           37.556      -90          
1 1 1 0  11 38 o 0 18     10.7  ?    ?   224.149  90           79.3766    90           35.5927     -90          
1 1 1 0  11 39 o 0 47     12.7  ?    ?   356.664  -90          154.637    -90          21.7599     90           
1 1 1 0  11 40 o 0 4.1    11    ?    ?   26.0812  90           8.18412    90           3.68028     -90          
1 1 1 0  11 41 o 0 5.1    10.9  ?    ?   78.1868  -90          27.5234    -90          3.93912     90           
1 1 1 0  12 0  o 0 125.8  23.9  ?    ?   460.911  -3.61846e-13 332.894    0            7.70062     180          
1 1 1 0  12 1  o 0 30.8   4     ?    ?   287.853  -180         138.77     180          72.7452     2.52271e-14  
1 1 1 0  12 2  o 0 -0.2   2.1   ?    ?   183.023  180          2.53128    180          131.133     1.35445e-16  
1 1 1 0  12 3  o 0 250    23.1  ?    ?   337.074  7.04428e-15  502.073    0            257.494     -6.69098e-15 
1 1 1 0  12 4  f 1 431.6  39.7  ?    ?   692.578  180          655.051    180          157.178     180          
1 1 1 0  12 5  f 1 734.2  77.5  ?    ?   999.149  180          905.992    180          155.676     180          
1 1 1 0  12 6  o 0 27     3     ?    ?   2.70437  180          1.69223    180          0.329536    3.60322e-14  
1 1 1 0  12 7  o 0 18.1   2.5   ?    ?   251.522  -9.32336e-15 88.6991    0            97.99       180          
1 1 1 0  12 8  o 0 0.2    1     ?    ?   87.3424  180          0.768062   180          63.5876     8.47534e-17  
1 1 1 0  12 9  o 0 40.3   4.2   ?    ?   352.146  -3.39223e-15 190.431    0            67.1015     180          
1 1 1 0  12 10 o 0 46.8   4.7   ?    ?   210.545  180          169.477    180          16.6804     180          
1 1 1 0  12 11 o 0 2.8    1.2   ?    ?   21.6129  0            1.09571    0            14.4651     180          
1 1 1 0  12 12 o 0 139    18.1  ?    ?   684.632  180          376.582    180          112.286     2.35324e-14  
1 1 1 0  12 13 o 0 584.6  62.1  ?    ?   954.056  -180         721.692    180          83.5161     180          
1 1 1 0  12 14 o 0 55.4   5.9   ?    ?   200.494  180          174.066    180          40.5399     180          
1 1 1 0  12 15 f 1 6.7    2.1   ?    ?   55.3343  180          7.0297     180          29.3816     -3.63063e-14 
1 1 1 0  12 16 o 0 172.9  22.9  ?    ?   442.469  180          382.242    180          93.226      180          
1 1 1 0  12 17 o 0 469.6  61.1  ?    ?   754.204  180          621.791    180          134.283     -180         
1 1 1 0  12 18 o 0 1016   131.3 ?    ?   831.632  0            899.47     0            362.153     0            
1 1 1 0  12 19 o 0 78.7   9.2   ?    ?   474.856  -180         231        180          50.2303     4.43109e-14  
1 1 1 0  12 20 o 0 20.9   3.9   ?    ?   442.242  180          103.798    180          154.939     4.70068e-15  
1 1 1 0  12 21 o 0 7.3    4     ?    ?   144.903  -180         13.6497    180          70.3022     1.12065e-14  
1 1 1 0  12 22 o 0 531.2  56.4  ?    ?   987.004  0            578.814    0            14.6229     0            
1 1 1 0  12 23 o 0 101.2  12.1  ?    ?   272.396  180          240.717    180          87.524      180          
1 1 1 0  12 24 o 0 188.2  18.2  ?    ?   546.585  0            336.019    0            33.13       0            
1 1 1 0  12 25 o 0 51.5   7.2   ?    ?   314.531  180          163.333    180          10.2729     8.17544e-14  
1 1 1 0  12 26 o 0 751.3  79.9  ?    ?   1185.49  180          684.756    180          0.182562    180          
1 1 1 0  12 27 o 0 99.3   13.3  ?    ?   176.876  -2.40025e-14 225.242    0            123.766     1.96798e-14  
1 1 1 0  12 28 o 0 14     7.9   ?    ?   66.2729  0            14.1481    0            23.2153     180          
1 1 1 0  12 29 o 0 34.5   8.9   ?    ?   225.086  180          117.444    180          4.66567     1.55029e-13  
1 1 1 0  12 30 o 0 -1.3   7.1   ?    ?   58.5345  0            3.18874    0            26.3095     180          
1 1 1 0  12 31 o 0 24.2   8.1   ?    ?   409.887  180          103.054    180          99.5143     2.40983e-15  
1 1 1 0  12 32 o 0 12.3   8     ?    ?   168.411  0            34.0105    0            44.6812     180          
1 1 1 0  12 33 f 1 23.6   13.7  ?    ?   111.458  -180         46.9428    180          3.22367     3.64725e-13  
1 1 1 0  12 34 o 0 87.1   12.4  ?    ?   387.151  0            247.973    0            25.9922     0            
1 1 1 0  12 35 o 0 81.4   10.4  ?    ?   145.378  2.94374e-15  232.241    0            149.08      -1.64211e-15 
1 1 1 0  12 36 o 0 6.7    7.1   ?    ?   196.513  180          38.4118    180          71.6923     3.75947e-15  
1 1 1 0  12 37 o 0 -5.4   8.1   ?    ?   17.0681  180          1.78159    180          7.35522     -1.48983e-14 
1 1 1 0  12 38 o 0 2.9    15.5  ?    ?   89.8048  0            25.7343    0            19.8905     180          
1 1 1 0  12 39 o 0 22.4   15.3  ?    ?   10.4945  180          8.79707    180          3.65578     180          
1 1 1 0  12 40 o 0 55.8   10.8  ?    ?   295.868  0            167.462    0            34.1357     0            
1 1 1 0  13 1  o 0 8.6    3     ?    ?   162.693  -90          28.3008    -90          96.2676     90           
1 1 1 0  13 2  o 0 9      2.3   ?    ?   232.49   -90          43.781     -90          133.22      90           
1 1 1 0  13 3  o 0 525.2  48.2  ?    ?   897.974  90           775.003    90           95.5097     90           
1 1 1 0  13 4  f 1 166.7  18.1  ?    ?   567.675  90           434.974    90           9.27158     90           
1 1 1 0  13 5  o 0 8.1    2.4   ?    ?   18.0515  -90          3.12659    -90          10.3544     90           
1 1 1 0  13 6  o 0 21.3   2.8   ?    ?   501.678  90           141.306    90           230.758     -90          
1 1 1 0  13 7  o 0 15     2.2   ?    ?   58.868   -90          19.8475    -90          23.5        90           
1 1 1 0  13 8  o 0 4.4    1.4   ?    ?   85.713   90           7.7221     90           54.9296     -90          
1 1 1 0  13 9  o 0 9.2    1.6   ?    ?   283.445  90           51.9321    90           153.685     -90          
1 1 1 0  13 10 o 0 4.1    1.4   ?    ?   421.493  -90          31.1172    -90          272.256     90           
1 1 1 0  13 11 o 0 4.4    1.5   ?    ?   69.6344  90           5.67712    90           41.2961     -90          
1 1 1 0  13 12 f 1 144.2  15.7  ?    ?   105.04   90           256.602    90           186.196     90           
1 1 1 0  13 13 o 0 85.2   8.5   ?    ?   133.894  -90          193.915    -90          104.727     -90          
1 1 1 0  13 14 o 0 165.6  15.7  ?    ?   578.425  90           379.925    90           1.83782     -90          
1 1 1 0  13 15 o 0 1.2    2.2   ?    ?   78.9652  90           1.77054    90           49.8461     -90          
1 1 1 0  13 16 o 0 933.9  98.8  ?    ?   1256.32  90           878.417    90           56.8369     90           
1 1 1 0  13 17 o 0 178.7  20    ?    ?   288.232  -90          378.783    -90          192.287     -90          
1 1 1 0  13 18 o 0 1008.6 130.3 ?    ?   1261.73  -90          822.807    -90          74.153      -90          
1 1 1 0  13 19 f 1 29.7   6.4   ?    ?   305.172  -90          113.529    -90          64.9723     90           
1 1 1 0  13 20 o 0 -2.5   3.6   ?    ?   231.149  -90          3.34446    -90          130.957     90           
1 1 1 0  13 21 o 0 13.8   4.4   ?    ?   289.824  -90          55.2972    -90          110.932     90           
1 1 1 0  13 22 o 0 1025.4 132.5 ?    ?   1179.55  90           783.984    90           117.998     90           
1 1 1 0  13 23 o 0 108.7  12.9  ?    ?   362.056  90           254.068    90           52.525      90           
1 1 1 0  13 24 o 0 142.3  16.4  ?    ?   297.108  90           286.679    90           121.845     90           
1 1 1 0  13 25 o 0 26.1   6     ?    ?   264.346  90           94.0516    90           50.3531     -90          
1 1 1 0  13 26 o 0 611.5  56.5  ?    ?   778.113  -90          614.386    -90          165.102     -90          
1 1 1 0  13 27 o 0 250    27.6  ?    ?   586.114  -90          386.832    -90          54.0488     -90          
1 1 1 0  13 28 o 0 34.9   8.6   ?    ?   94.9461  -90          69.6832    -90          17.7747     -90          
1 1 1 0  13 29 f 1 13.8   7.8   ?    ?   36.5472  90           9.31142    90           9.21432     -90          
1 1 1 0  13 30 o 0 20.4   8.4   ?    ?   352.289  90           86.6943    90           89.0013     -90          
1 1 1 0  13 31 o 0 48.3   12.1  ?    ?   527.037  90           153.379    90           95.3102     -90          
1 1 1 0  13 32 o 0 20     10    ?    ?   339.32   90           80.0547    90           74.6815     -90          
1 1 1 0  13 33 f 1 99     11.6  ?    ?   392.116  -90          216.574    -90          33.8391     -90          
1 1 1 0  13 34 o 0 4      6.8   ?    ?   194.628  90           28.8591    90           83.8097     -90          
1 1 1 0  13 35 o 0 27     7.4   ?    ?   384.273  90           129.215    90           88.8256     -90          
1 1 1 0  13 36 o 0 15.2   8.3   ?    ?   57.8917  90           33.7252    90           2.31857     90           
1 1 1 0  13 37 o 0 24.8   10.9  ?    ?   84.3599  90           74.7822    90           31.3168     90           
1 1 1 0  13 38 o 0 6.2    10.6  ?    ?   67.7018  90           20.8413    90           12.8195     -90          
1 1 1 0  13 40 o 0 0      10.3  ?    ?   111.979  -90          26.6339    -90          18.7347     90           
1 1 1 0  14 0  o 0 79.4   15.7  ?    ?   146.863  180          125.2      180          13.376      -180         
1 1 1 0  14 1  o 0 67.4   7.9   ?    ?   602.026  -4.18417e-15 278.464    0            177.763     180          
1 1 1 0  14 2  o 0 2.1    2.8   ?    ?   9.63809  180          0.360443   180          6.90497     3.66276e-16  
1 1 1 0  14 3  o 0 8.7    3.5   ?    ?   474.106  -2.23544e-15 63.8774    0            291.462     180          
1 1 1 0  14 4  o 0 245.6  22.9  ?    ?   690.673  0            523.789    0            9.31176     0            
1 1 1 0  14 5  o 0 584.4  62    ?    ?   602.939  -7.86086e-15 796.971    0            350.757     1.00002e-14  
1 1 1 0  14 6  o 0 3.5    2.1   ?    ?   55.9196  0            3.16257    0            37.9408     180          
1 1 1 0  14 7  o 0 0.5    1.9   ?    ?   242.841  180          4.1615     180          173.077     -1.09766e-14 
1 1 1 0  14 8  o 0 148.3  14    ?    ?   58.9426  0            181.806    0            139.102     0            
1 1 1 0  14 9  o 0 594.2  76.7  ?    ?   1305.36  -6.32254e-15 734.426    0            152.362     180          
1 1 1 0  14 10 f 1 3.9    1.5   ?    ?   281.871  0            19.1736    0            171.192     180          
1 1 1 0  14 11 o 0 59.8   7.1   ?    ?   326.367  -8.1317e-15  219.335    0            0.165181    1.07895e-11  
1 1 1 0  14 12 o 0 156.4  20.3  ?    ?   56.558   180          171.293    180          133.637     180          
1 1 1 0  14 13 o 0 505.4  65.2  ?    ?   693.411  -1.25579e-14 657.687    0            200.14      2.8709e-14   
1 1 1 0  14 14 f 1 543.1  49.9  ?    ?   742.023  0            680.227    0            196.422     0            
1 1 1 0  14 15 o 0 11.3   2.5   ?    ?   149.087  180          31.7855    180          65.7449     -5.62468e-15 
1 1 1 0  14 16 o 0 35     5.6   ?    ?   378.458  0            154.204    0            90.8419     180          
1 1 1 0  14 17 o 0 98.9   12.2  ?    ?   718.958  1.41641e-15  260.897    0            166.16      -180         
1 1 1 0  14 18 o 0 217.8  24.2  ?    ?   314.174  180          381.75     180          197.233     180          
1 1 1 0  14 19 f 1 177.6  20.3  ?    ?   330.216  -180         340.27     180          148.528     180          
1 1 1 0  14 20 f 1 6.2    3.9   ?    ?   93.6381  180          7.20738    180          46.4917     1.08777e-15  
1 1 1 0  14 21 o 0 40     7     ?    ?   278.237  180          134.375    180          23.1858     1.45537e-14  
1 1 1 0  14 22 o 0 82.7   12.1  ?    ?   270.839  0            211.436    0            60.1422     0            
1 1 1 0  14 23 f 1 1044.3 110.3 ?    ?   1270.6   -2.71172e-15 777.603    0            71.6348     2.67242e-14  
1 1 1 0  14 24 o 0 70.4   9.7   ?    ?   129.306  180          140.109    180          69.1439     180          
1 1 1 0  14 25 o 0 159.7  18.4  ?    ?   767.66   -2.24918e-15 316.403    0            129.181     180          
1 1 1 0  14 26 o 0 326.8  35.5  ?    ?   388.219  180          444.457    180          222.734     180          
1 1 1 0  14 27 o 0 85.2   12.4  ?    ?   157.197  -180         199.665    180          113.161     180          
1 1 1 0  14 28 o 0 9.2    9.6   ?    ?   39.3689  0            5.95595    0            15.3326     180          
1 1 1 0  14 29 o 0 147.5  21.8  ?    ?   469.919  -7.8031e-15  281.541    0            45.3368     4.0654e-14   
1 1 1 0  14 30 o 0 14.4   16    ?    ?   70.9472  0            18.5641    0            15.1992     180          
1 1 1 0  14 31 o 0 264    35.6  ?    ?   513.805  -180         359.766    180          123.299     180          
1 1 1 0  14 32 o 0 15.9   8.2   ?    ?   2.37562  180          0.807737   180          0.263743    2.14893e-14  
1 1 1 0  14 33 o 0 137.4  16.8  ?    ?   550.243  180          311.649    180          3.91407     2.53895e-13  
1 1 1 0  14 34 o 0 13.9   9     ?    ?   32.3404  180          14.8315    180          3.68589     2.82342e-14  
1 1 1 0  14 35 o 0 52.7   12.7  ?    ?   201.651  -1.75249e-14 178.169    0            64.9961     3.05148e-14  
1 1 1 0  14 36 o 0 114.7  14.7  ?    ?   436.139  0            265.234    0            31.197      0            
1 1 1 0  14 37 o 0 68.5   11.3  ?    ?   286.144  -3.29026e-15 198.764    0            52.9303     9.06532e-15  
1 1 1 0  14 38 o 0 27.3   9.1   ?    ?   214.41   0            112.899    0            7.44846     0            
1 1 1 0  14 39 o 0 -4.5   10.2  ?    ?   49.8833  180          11.1162    180          9.39487     -3.57698e-14 
1 1 1 0  15 1  o 0 4      3.4   ?    ?   104.605  90           6.58092    90           71.8124     -90          
1 1 1 0  15 2  o 0 4.6    3.2   ?    ?   89.4077  90           6.49748    90           60.1768     -90          
1 1 1 0  15 3  o 0 23.2   4.4   ?    ?   284.501  90           116.471    90           94.538      -90          
1 1 1 0  15 4  o 0 976    126.4 ?    ?   1268.29  -90          1012.86    -90          77.7245     -90          
1 1 1 0  15 5  o 0 46.7   6     ?    ?   192.609  -90          152.591    -90          19.2484     -90          
1 1 1 0  15 6  o 0 4.8    2.5   ?    ?   338.594  -90          24.829     -90          209.105     90           
1 1 1 0  15 7  o 0 81.6   8.1   ?    ?   424.444  90           274.904    90           16.2991     -90          
1 1 1 0  15 8  f 1 286.3  26.6  ?    ?   598.802  -90          514.966    -90          108.186     -90          
1 1 1 0  15 9  o 0 396.9  42.1  ?    ?   1083.43  -90          599.938    -90          132.335     90           
1 1 1 0  15 10 o 0 145    15.9  ?    ?   745.366  90           360.658    90           139.115     -90          
1 1 1 0  15 11 o 0 8.3    2     ?    ?   288.344  -90          43.7217    -90          148.01      90           
1 1 1 0  15 12 o 0 24     3.4   ?    ?   248.866  -90          100.397    -90          63.651      90           
1 1 1 0  15 13 o 0 1908.5 174.4 ?    ?   1563.67  -90          1264.39    -90          232.118     -90          
1 1 1 0  15 14 o 0 83     9.8   ?    ?   352.926  -90          257.508    -90          26.7287     -90          
1 1 1 0  15 15 o 0 137.2  18    ?    ?   463.124  90           309.871    90           31.8199     90           
1 1 1 0  15 16 f 1 512.7  47.4  ?    ?   1149.05  -90          594.539    -90          86.4115     90           
1 1 1 0  15 17 o 0 1148.4 121.8 ?    ?   1804.61  90           873.48     90           190.313     -90          
1 1 1 0  15 19 o 0 52.9   9.2   ?    ?   243.397  -90          154.728    -90          14.5738     -90          
1 1 1 0  15 20 o 0 164.7  21.9  ?    ?   711.534  90           320.366    90           83.3672     -90          
1 1 1 0  15 21 o 0 192.8  22.2  ?    ?   400.577  -90          342.696    -90          118.37      -90          
1 1 1 0  15 22 o 0 393.1  37.1  ?    ?   929.837  -90          483.201    -90          36.3356     90           
1 1 1 0  15 23 o 0 27.6   6.5   ?    ?   441.992  90           117.568    90           125.874     -90          
1 1 1 0  15 24 o 0 52.6   7.9   ?    ?   270.432  -90          170.785    -90          13.1615     -90          
1 1 1 0  15 25 o 0 55.8   8.4   ?    ?   402.99   90           182.582    90           48.67       -90          
1 1 1 0  15 26 o 0 207.8  23.2  ?    ?   299.28   -90          350.453    -90          184.879     -90          
1 1 1 0  15 27 o 0 101.7  15.9  ?    ?   536.935  -90          239.915    -90          52.1678     90           
1 1 1 0  15 28 f 1 27.1   9.5   ?    ?   241.978  90           98.2793    90           23.8416     -90          
1 1 1 0  15 29 o 0 171.1  24.5  ?    ?   594.244  -90          299.243    -90          14.3895     -90          
1 1 1 0  15 31 o 0 84     19.9  ?    ?   366.56   -90          196.619    -90          29.8658     -90          
1 1 1 0  15 32 o 0 43.8   9.2   ?    ?   233.935  -90          172.63     -90          37.2239     -90          
1 1 1 0  15 33 o 0 4.3    9.6   ?    ?   128.463  -90          25.245     -90          49.0429     90           
1 1 1 0  15 34 o 0 58.8   10    ?    ?   337.691  90           195.905    90           4.36267     90           
1 1 1 0  15 35 o 0 97.6   13.2  ?    ?   359.972  -90          247.457    -90          52.0992     -90          
1 1 1 0  15 36 o 0 24.4   8.3   ?    ?   260.96   -90          111.621    -90          22.9799     90           
1 1 1 0  15 37 f 1 7.8    8.4   ?    ?   66.5165  90           21.6137    90           11.4323     -90          
1 1 1 0  15 38 o 0 26.1   8.7   ?    ?   147.243  90           106.972    90           39.4136     90           
1 1 1 0  15 39 o 0 7.6    13.7  ?    ?   42.3616  -90          20.9141    -90          3.69528     -90          
1 1 1 0  16 0  o 0 858.7  111.4 ?    ?   1165.47  -5.38392e-14 908.601    0            86.0562     5.14608e-13  
1 1 1 0  16 1  o 0 3      3.5   ?    ?   101.481  180          4.90415    180          66.4294     5.18008e-16  
1 1 1 0  16 2  o 0 47.5   6.6   ?    ?   206.433  0            164.193    0            19.7546     0            
1 1 1 0  16 3  o 0 434.2  46.4  ?    ?   1023.17  180          645.683    180          66.528      1.45915e-14  
1 1 1 0  16 4  o 0 183    24.7  ?    ?   573.983  0            416.424    0            19.1335     0            
1 1 1 0  16 5  o 0 7.9    5.1   ?    ?   115.015  180          13.605     180          65.5206     1.45698e-15  
1 1 1 0  16 6  o 0 6.8    2.8   ?    ?   71.2965  0            8.62119    0            40.1099     180          
1 1 1 0  16 7  o 0 33.1   4.3   ?    ?   499.683  180          168.458    180          170.729     6.9234e-15   
1 1 1 0  16 8  o 0 423    45    ?    ?   1215.38  0            617.722    0            201.309     180          
1 1 1 0  16 9  o 0 117.6  13.3  ?    ?   546.967  180          323.867    180          41.9261     2.71487e-14  
1 1 1 0  16 10 o 0 166.4  18.2  ?    ?   859.726  180          382.368    180          188.003     1.42709e-14  
1 1 1 0  16 11 o 0 23.5   3.4   ?    ?   229.919  0            92.4979    0            60.373      180          
1 1 1 0  16 12 o 0 90.1   9.2   ?    ?   421.611  180          274.932    180          2.94283     6.5553e-13   
1 1 1 0  16 13 o 0 1943.2 177.7 ?    ?   1493.55  180          1262.05    180          286.689     180          
1 1 1 0  16 14 o 0 7.5    2.7   ?    ?   191.346  0            22.3411    0            92.4274     180          
1 1 1 0  16 15 o 0 9.8    2.8   ?    ?   132.619  -1.17194e-14 21.8644    0            57.123      180          
1 1 1 0  16 16 o 0 24.1   3.9   ?    ?   187.79   180          72.1833    180          38.4899     1.3159e-14   
1 1 1 0  16 17 o 0 111.6  20.9  ?    ?   450.121  -180         267.589    180          5.22889     180          
1 1 1 0  16 18 o 0 159.4  21.7  ?    ?   655.284  0            319.332    0            58.2174     180          
1 1 1 0  16 19 o 0 80.7   12.3  ?    ?   599.811  -5.51098e-15 224.062    0            116.63      180          
1 1 1 0  16 20 o 0 28.9   8.6   ?    ?   277.851  0            99.8732    0            55.9602     180          
1 1 1 0  16 21 o 0 -4.7   4.1   ?    ?   32.0637  180          0.463349   180          17.4879     -1.96151e-14 
1 1 1 0  16 22 o 0 234.4  23.5  ?    ?   435.231  0            392.162    0            136.647     0            
1 1 1 0  16 23 f 1 7.3    5.2   ?    ?   28.6293  180          3.17502    180          13.52       1.64779e-15  
1 1 1 0  16 24 o 0 28.5   6.6   ?    ?   170.023  0            85.743     0            12.1775     180          
1 1 1 0  16 25 o 0 177.2  22.6  ?    ?   675.18   -2.58624e-15 324.426    0            50.6851     180          
1 1 1 0  16 26 f 1 5.8    7.9   ?    ?   213.858  0            21.3232    0            95.2706     180          
1 1 1 0  16 27 o 0 50.1   8.5   ?    ?   322.68   180          164.131    180          0.0233889   7.79867e-12  
1 1 1 0  16 28 o 0 7.6    7.1   ?    ?   106.887  0            14.8922    0            36.6544     180          
1 1 1 0  16 29 o 0 128.5  19.7  ?    ?   361.108  180          255.495    180          84.4932     180          
1 1 1 0  16 30 o 0 176    30.3  ?    ?   715.951  180          290.235    180          37.8473     5.38082e-14  
1 1 1 0  16 31 o 0 357.8  42    ?    ?   544.638  -2.99383e-15 505.475    0            187.71      5.06811e-15  
1 1 1 0  16 32 o 0 5.4    7.2   ?    ?   25.0529  180          5.12063    180          9.4924      3.78513e-15  
1 1 1 0  16 33 o 0 56.6   9.9   ?    ?   434.751  -1.98388e-15 193.841    0            55.0545     180          
1 1 1 0  16 34 f 1 108.3  13.8  ?    ?   262.556  180          263.473    180          119.928     180          
1 1 1 0  16 35 o 0 -0.7   8.2   ?    ?   172.596  180          23.0235    180          66.9516     -1.18477e-14 
1 1 1 0  16 36 o 0 26.1   9.6   ?    ?   208.852  180          110.551    180          5.3412      180          
1 1 1 0  16 37 o 0 71.1   11.3  ?    ?   323.172  180          197.254    180          47.1873     180          
1 1 1 0  16 38 o 0 6.9    8.4   ?    ?   181.825  180          44.8622    180          29.9877     1.04972e-14  
1 1 1 0  17 1  f 1 173.1  16.6  ?    ?   574.482  90           408.392    90           10.7302     90           
1 1 1 0  17 2  o 0 126.2  12.4  ?    ?   374.285  90           345.499    90           86.8718     90           
1 1 1 0  17 3  o 0 8.2    4.5   ?    ?   394.996  90           44.6875    90           226.916     -90          
1 1 1 0  17 4  o 0 236.2  31.7  ?    ?   497.377  90           467.451    90           127.296     90           
1 1 1 0  17 5  o 0 381.3  50.2  ?    ?   864.617  -90          589.569    -90          1.73789     -90          
1 1 1 0  17 6  o 0 32.1   5.8   ?    ?   324.448  -90          145.868    -90          73.3195     90           
1 1 1 0  17 7  o 0 89.2   10.3  ?    ?   325.051  -90          275.961    -90          57.8495     -90          
1 1 1 0  17 8  o 0 62.4   8     ?    ?   82.579   -90          100.095    -90          44.496      -90          
1 1 1 0  17 9  o 0 157.5  17.6  ?    ?   292.761  -90          366.353    -90          170.733     -90          
1 1 1 0  17 10 o 0 87.5   9     ?    ?   677.491  -90          274.426    -90          174.66      90           
1 1 1 0  17 11 o 0 13     2.8   ?    ?   111.533  90           25.8949    90           42.091      -90          
1 1 1 0  17 12 o 0 96.5   10    ?    ?   519.101  -90          262.295    -90          51.3452     90           
1 1 1 0  17 13 o 0 370.1  34.6  ?    ?   709.344  90           509.314    90           83.3811     90           
1 1 1 0  17 14 o 0 10.9   3.1   ?    ?   200.197  90           35.2987    90           83.7502     -90          
1 1 1 0  17 15 o 0 159.5  15.7  ?    ?   513.002  -90          327.969    -90          25.9949     -90          
1 1 1 0  17 16 o 0 48.4   6.1   ?    ?   227.983  90           143.825    90           11.0468     90           
1 1 1 0  17 17 o 0 6.8    3.9   ?    ?   142.107  90           12.6783    90           68.9906     -90          
1 1 1 0  17 18 o 0 474.6  62    ?    ?   724.876  -90          541.787    -90          130.035     -90          
1 1 1 0  17 20 o 0 36.3   9.8   ?    ?   187.043  90           100.439    90           4.38239     -90          
1 1 1 0  17 21 o 0 296.8  29    ?    ?   665.033  -90          441.718    -90          50.7124     -90          
1 1 1 0  17 22 o 0 321.1  31.2  ?    ?   674.355  -90          452.904    -90          57.8548     -90          
1 1 1 0  17 23 o 0 15     6.8   ?    ?   300.279  -90          61.8013    -90          111.576     90           
1 1 1 0  17 24 f 1 18.8   7.1   ?    ?   65.483   90           25.1696    90           11.2295     -90          
1 1 1 0  17 25 o 0 83.3   10.6  ?    ?   291.885  90           218.125    90           57.9978     90           
1 1 1 0  17 26 o 0 223    23.2  ?    ?   620.143  -90          354.233    -90          37.4147     -90          
1 1 1 0  17 27 o 0 37.5   7.7   ?    ?   199.801  90           126.359    90           29.5379     90           
1 1 1 0  17 28 o 0 8.8    6.7   ?    ?   55.6917  90           8.88451    90           17.632      -90          
1 1 1 0  17 29 o 0 68.8   16.2  ?    ?   445.486  90           181.272    90           24.1118     -90          
1 1 1 0  17 31 o 0 -6.3   16.5  ?    ?   174.648  90           32.094     90           70.5258     -90          
1 1 1 0  17 32 o 0 22.5   10    ?    ?   139.138  90           90.6197    90           10.3243     90           
1 1 1 0  17 33 o 0 55.4   9.4   ?    ?   309.957  90           189.447    90           14.2682     90           
1 1 1 0  17 34 o 0 6.9    7.7   ?    ?   35.6021  90           9.60418    90           9.66039     -90          
1 1 1 0  17 35 o 0 -0.7   7.3   ?    ?   15.5394  -90          2.09064    -90          5.9063      90           
1 1 1 0  17 36 o 0 42.5   9     ?    ?   355.838  90           152.556    90           14.4465     -90          
1 1 1 0  17 37 o 0 7.3    7.8   ?    ?   5.10293  -90          2.30777    -90          0.183199    -90          
1 1 1 0  18 0  o 0 2652.7 342.4 ?    ?   2334.08  -5.9491e-15  1529.65    0            90.875      180          
1 1 1 0  18 1  o 0 228.7  21.7  ?    ?   537.159  -180         463.122    180          91.4651     180          
1 1 1 0  18 2  o 0 278.8  26.2  ?    ?   581.83   180          509.167    180          108.24      180          
1 1 1 0  18 3  o 0 31.9   5.7   ?    ?   486.466  -8.53993e-15 162.613    0            171.042     180          
1 1 1 0  18 6  f 1 117    16.5  ?    ?   412.889  0            320.055    0            42.3843     0            
1 1 1 0  18 7  f 1 661.4  86.4  ?    ?   1314.56  -2.78174e-15 755.103    0            123.081     180          
1 1 1 0  18 8  o 0 110.5  16.8  ?    ?   427.933  0            284.115    0            20.2059     0            
1 1 1 0  18 9  o 0 47.8   6.1   ?    ?   319.853  3.08975e-15  170.609    0            25.1642     -180         
1 1 1 0  18 10 o 0 247    23.3  ?    ?   522.905  180          422.335    180          104.822     180          
1 1 1 0  18 11 o 0 4.2    2.5   ?    ?   152.055  -1.32136e-14 8.44207    0            83.3936     180          
1 1 1 0  18 12 o 0 20.5   3.8   ?    ?   71.0803  0            26.1713    0            16.3802     180          
1 1 1 0  18 13 o 0 267.2  25.3  ?    ?   723.955  -180         427.627    180          1.7464      1.8267e-12   
1 1 1 0  18 14 o 0 847.9  77.9  ?    ?   1221.28  180          751.236    180          33.9429     180          
1 1 1 0  18 15 o 0 10.3   3.7   ?    ?   87.4176  180          14.5412    180          36.1689     -3.60128e-14 
1 1 1 0  18 16 o 0 253.7  24.3  ?    ?   915.805  180          403.84     180          121.738     2.32765e-14  
1 1 1 0  18 17 o 0 497    65    ?    ?   1256.11  -5.71937e-15 553.578    0            159.245     180          
1 1 1 0  18 18 o 0 24.6   6.7   ?    ?   189.725  0            74.176     0            33.4582     180          
1 1 1 0  18 19 o 0 21.4   12    ?    ?   211.223  180          55.2697    180          63.0964     -1.51767e-14 
1 1 1 0  18 20 o 0 1.2    6.2   ?    ?   163.335  180          7.81234    180          88.2614     6.21075e-16  
1 1 1 0  18 21 o 0 28.9   34.1  ?    ?   234.584  7.13842e-15  81.7968    0            55.7546     -180         
1 1 1 0  18 22 o 0 25.3   7.9   ?    ?   113.534  180          53.571     180          12.0766     3.11256e-14  
1 1 1 0  18 23 f 1 135.4  15    ?    ?   386.493  180          286.057    180          70.799      180          
1 1 1 0  18 24 o 0 117.6  13.7  ?    ?   262.78   0            260.687    0            116.163     0            
1 1 1 0  18 25 o 0 35     7.2   ?    ?   94.3554  180          75.667     180          27.3139     180          
1 1 1 0  18 26 o 0 323.1  37.9  ?    ?   743.241  180          417.289    180          55.8018     180          
1 1 1 0  18 27 o 0 78.7   14    ?    ?   373.61   180          201.461    180          22.8171     180          
1 1 1 0  18 28 o 0 5.3    6.9   ?    ?   63.7063  0            7.50069    0            22.0128     180          
1 1 1 0  18 29 o 0 71.9   10.2  ?    ?   500.187  180          187.356    180          50.6742     2.59427e-14  
1 1 1 0  18 30 o 0 31.1   7.6   ?    ?   57.9354  180          80.1159    180          45.8665     180          
1 1 1 0  18 31 o 0 25.3   9.6   ?    ?   179.976  -2.35742e-15 110.656    0            6.32345     3.88956e-14  
1 1 1 0  18 32 o 0 17.7   9.5   ?    ?   191.897  180          80.3275    180          28.9273     1.94845e-14  
1 1 1 0  18 33 o 0 60     12.2  ?    ?   284.306  -9.47314e-15 191.703    0            36.627      4.01085e-14  
1 1 1 0  18 34 o 0 57.2   9.9   ?    ?   321.575  0            185.003    0            18.0751     0            
1 1 1 0  18 35 f 1 110.4  14.1  ?    ?   147.98   180          251.773    180          177.686     180          
1 1 1 0  18 36 o 0 13.6   8.4   ?    ?   147.417  0            60.7259    0            7.52837     180          
1 1 1 0  19 1  o 0 9      5.1   ?    ?   336.867  -90          38.2851    -90          174.762     90           
1 1 1 0  19 2  o 0 8.2    6     ?    ?   255.959  -90          26.3301    -90          134.928     90           
1 1 1 0  19 3  o 0 5.3    5.2   ?    ?   74.5142  -90          5.2926     -90          41.4446     90           
1 1 1 0  19 4  o 0 1192.1 126.4 ?    ?   1299.28  90           945.11     90           134.232     90           
1 1 1 0  19 5  o 0 111.3  22.6  ?    ?   607.887  90           285.25     90           92.0368     -90          
1 1 1 0  19 6  o 0 68.1   14.9  ?    ?   287.145  -90          204.951    -90          27.808      -90          
1 1 1 0  19 7  o 0 20.7   9.2   ?    ?   28.1122  -90          8.79592    -90          8.48659     90           
1 1 1 0  19 8  o 0 239.5  26.7  ?    ?   1114.69  -90          416.007    -90          264.481     90           
1 1 1 0  19 9  o 0 365.6  39.8  ?    ?   224.816  90           507.312    90           371.09      90           
1 1 1 0  19 10 o 0 15.9   4.1   ?    ?   53.1224  90           14.8794    90           17.0544     -90          
1 1 1 0  19 11 o 0 53.8   6.9   ?    ?   448.596  -90          188.777    -90          78.6351     90           
1 1 1 0  19 12 o 0 119.7  12.4  ?    ?   649.352  -90          285.108    -90          98.5614     90           
1 1 1 0  19 13 o 0 101.7  11.2  ?    ?   529.113  90           259.989    90           49.0651     -90          
1 1 1 0  19 14 o 0 476.6  44.3  ?    ?   1181.87  90           556.962    90           126.63      -90          
1 1 1 0  19 15 o 0 16.9   4.3   ?    ?   248.289  90           63.1283    90           79.0103     -90          
1 1 1 0  19 16 o 0 400.5  42.8  ?    ?   1114.2   90           498.961    90           139.316     -90          
1 1 1 0  19 17 o 0 17.3   7.8   ?    ?   77.7804  90           20.577     90           23.4791     -90          
1 1 1 0  19 18 o 0 362    49.5  ?    ?   541.524  -90          489.292    -90          167.012     -90          
1 1 1 0  19 19 o 0 38.8   7.7   ?    ?   70.3611  90           57.7484    90           15.9616     90           
1 1 1 0  19 20 o 0 2.9    12.4  ?    ?   314.853  -90          30.1901    -90          154.398     90           
1 1 1 0  19 21 o 0 67.4   11.3  ?    ?   199.106  90           188.483    90           75.6345     90           
1 1 1 0  19 22 o 0 13.6   4.9   ?    ?   417.89   -90          75.7003    -90          157.845     90           
1 1 1 0  19 23 o 0 70.5   9.2   ?    ?   405.992  90           203.052    90           8.60394     -90          
1 1 1 0  19 24 o 0 1.8    8.5   ?    ?   68.3979  90           5.7948     90           29.3241     -90          
1 1 1 0  19 25 o 0 18     8.5   ?    ?   22.1583  90           8.52494    90           2.27898     -90          
1 1 1 0  19 26 o 0 228.7  25.3  ?    ?   518.405  90           347.353    90           102.162     90           
1 1 1 0  19 27 o 0 -1.9   6.3   ?    ?   83.8163  90           4.40567    90           34.5662     -90          
1 1 1 0  19 28 f 1 5.9    6.6   ?    ?   45.4472  -90          8.07242    -90          18.8125     90           
1 1 1 0  19 29 f 1 26.1   6.9   ?    ?   317.578  -90          133.539    -90          54.6288     90           
1 1 1 0  19 30 o 0 97.1   12.2  ?    ?   471.089  90           261.201    90           13.9887     -90          
1 1 1 0  19 31 o 0 21.1   8.8   ?    ?   162.33   90           93.6309    90           0.645939    90           
1 1 1 0  19 32 o 0 4.7    15.7  ?    ?   89.298   -90          28.0178    -90          21.0181     90           
1 1 1 0  19 33 o 0 95.1   19.6  ?    ?   334.965  -90          233.701    -90          58.5397     -90          
1 1 1 0  19 34 o 0 2.7    11.1  ?    ?   33.2631  -90          8.9003     -90          7.93013     90           
1 1 1 0  19 35 o 0 68.4   10.8  ?    ?   483.121  90           194.361    90           31.2665     -90          
1 1 1 0  19 36 o 0 9.7    7.8   ?    ?   0.200169 90           0.114104   90           0.0311193   90           
1 1 1 0  20 1  o 0 23.9   6.7   ?    ?   48.334   180          20.7772    180          9.42119     1.54744e-14  
1 1 1 0  20 2  o 0 68     9     ?    ?   406.719  0            221.867    0            31.3273     180          
1 1 1 0  20 3  o 0 38.1   8.4   ?    ?   398.86   -180         155.398    180          91.8561     3.20899e-14  
1 1 1 0  20 4  o 0 39.7   9.9   ?    ?   321.681  180          147.872    180          50.5816     2.0513e-14   
1 1 1 0  20 5  o 0 842.8  109.5 ?    ?   1072.62  180          776.144    180          117.955     180          
1 1 1 0  20 6  o 0 187.8  26.4  ?    ?   546.28   0            366.752    0            33.5097     0            
1 1 1 0  20 7  o 0 761    81    ?    ?   1113.32  180          733.052    180          58.2492     180          
1 1 1 0  20 9  f 1 300.1  33.3  ?    ?   633.325  0            455.227    0            77.7856     0            
1 1 1 0  20 10 o 0 653.8  70    ?    ?   1133.07  180          663.844    180          6.4009      7.2771e-13   
1 1 1 0  20 11 o 0 16.5   7.9   ?    ?   258.963  180          54.1702    180          97.7373     -1.53273e-14 
1 1 1 0  20 12 o 0 848.3  90.3  ?    ?   1360.14  180          741.995    180          48.8305     1.06621e-13  
1 1 1 0  20 13 o 0 46.7   6.8   ?    ?   552.846  -2.32508e-14 171.904    0            146.549     180          
1 1 1 0  20 15 o 0 111.4  13    ?    ?   419.911  0            262.47     0            22.6855     0            
1 1 1 0  20 16 o 0 252.4  36.1  ?    ?   536.915  0            412.929    0            90.4669     0            
1 1 1 0  20 17 o 0 120    20.3  ?    ?   501.571  180          281.099    180          19.8094     9.95685e-14  
1 1 1 0  20 18 o 0 10.5   7.4   ?    ?   55.0127  0            8.84691    0            23.7669     180          
1 1 1 0  20 19 o 0 87.3   13.3  ?    ?   439.307  180          234.614    180          22.6081     2.91346e-14  
1 1 1 0  20 20 o 0 33.5   8.1   ?    ?   378.123  0            137.547    0            76.5979     180          
1 1 1 0  20 21 o 0 303.4  35.1  ?    ?   917.225  180          426.135    180          86.3341     3.46337e-14  
1 1 1 0  20 22 o 0 5.3    6.9   ?    ?   264.066  180          25.2266    180          112.474     1.57377e-15  
1 1 1 0  20 23 o 0 116.3  16.4  ?    ?   366.113  -1.00627e-14 255.982    0            67.8542     2.78992e-14  
1 1 1 0  20 24 o 0 15.3   5.6   ?    ?   77.3484  0            27.6961    0            10.0676     180          
1 1 1 0  20 25 o 0 2.3    5.3   ?    ?   186.9    -1.0154e-14  13.1022    0            75.4631     180          
1 1 1 0  20 26 f 1 26.4   6.9   ?    ?   140.167  0            83.3018    0            18.1366     0            
1 1 1 0  20 27 o 0 3.5    5.9   ?    ?   239.042  180          27.0294    180          115.175     1.64669e-15  
1 1 1 0  20 28 o 0 -1.1   5.6   ?    ?   91.6204  180          7.79532    180          46.8282     1.16805e-15  
1 1 1 0  20 29 o 0 4.5    6     ?    ?   252.83   180          36.6029    180          111.715     -4.32679e-15 
1 1 1 0  20 30 o 0 68.4   10    ?    ?   371.271  180          215.338    180          1.63827     180          
1 1 1 0  20 31 o 0 14.9   7     ?    ?   39.8274  180          25.7231    180          3.73329     180          
1 1 1 0  20 32 o 0 29.3   9.6   ?    ?   265.388  0            125.369    0            14.2546     180          
1 1 1 0  20 33 o 0 47.6   19.1  ?    ?   287.098  180          139.703    180          6.53965     4.02512e-14  
1 1 1 0  20 34 o 0 -3.2   9.2   ?    ?   64.1664  0            11.1315    0            19.0563     180          
1 1 1 0  20 35 o 0 15.1   8     ?    ?   174.331  -180         72.0601    180          0.792265    1.1638e-12   
1 1 1 0  21 1  f 1 303.9  29.3  ?    ?   486.829  -90          472.427    -90          173.87      -90          
1 1 1 0  21 2  o 0 -1.2   9     ?    ?   284.579  90           14.4638    90           159.914     -90          
1 1 1 0  21 3  o 0 126    19.6  ?    ?   415.192  -90          299.132    -90          45.7445     -90          
1 1 1 0  21 4  o 0 289.2  39.2  ?    ?   721.619  90           452.457    90           14.0952     90           
1 1 1 0  21 5  o 0 174.2  20.8  ?    ?   544.529  90           350.825    90           22.4663     90           
1 1 1 0  21 6  o 0 4.1    6.2   ?    ?   15.5179  90           0.994307   90           8.30953     -90          
1 1 1 0  21 7  o 0 70.7   10.8  ?    ?   591.541  90           219.883    90           132.553     -90          
1 1 1 0  21 8  o 0 34.7   7.8   ?    ?   583.737  90           149.218    90           196.207     -90          
1 1 1 0  21 9  o 0 66     10.2  ?    ?   239.718  -90          186.481    -90          45.6629     -90          
1 1 1 0  21 10 o 0 11.6   8.3   ?    ?   156.94   -90          22.5273    -90          68.945      90           
1 1 1 0  21 11 o 0 85.8   13.5  ?    ?   659.863  90           235.028    90           150.781     -90          
1 1 1 0  21 12 o 0 127.7  17    ?    ?   511.657  90           284.921    90           11.6035     -90          
1 1 1 0  21 13 o 0 456.5  50.2  ?    ?   1264.85  -90          532.681    -90          193.535     90           
1 1 1 0  21 14 o 0 481.8  63.2  ?    ?   873.342  -90          572.4      -90          44.4947     -90          
1 1 1 0  21 15 o 0 64.3   17.5  ?    ?   282.732  90           193.726    90           22.8375     90           
1 1 1 0  21 16 o 0 359.7  50.5  ?    ?   653.647  -90          484.315    -90          93.5109     -90          
1 1 1 0  21 17 o 0 94.8   14.5  ?    ?   385.525  -90          246.43     -90          18.5445     -90          
1 1 1 0  21 18 o 0 40.2   10.1  ?    ?   12.6141  90           12.1737    90           4.95418     90           
1 1 1 0  21 19 o 0 15.1   8.5   ?    ?   6.10054  90           1.64249    90           1.80578     -90          
1 1 1 0  21 20 o 0 -3.6   14.2  ?    ?   7.28831  90           0.784906   90           3.0642      -90          
1 1 1 0  21 21 o 0 34.6   8.7   ?    ?   373.095  -90          136.314    -90          58.064      90           
1 1 1 0  21 22 o 0 364.9  41.8  ?    ?   864.83   90           451.496    90           22.9191     90           
1 1 1 0  21 23 o 0 2.2    5     ?    ?   96.4136  -90          6.03558    -90          41.0435     90           
1 1 1 0  21 24 o 0 34.8   6.8   ?    ?   142.862  90           109.092    90           41.3471     90           
1 1 1 0  21 25 o 0 6.1    5.6   ?    ?   153.012  -90          20.9476    -90          53.7602     90           
1 1 1 0  21 26 o 0 147.4  19    ?    ?   419.497  -90          334.554    -90          84.5419     -90          
1 1 1 0  21 27 o 0 67.7   9.5   ?    ?   184.576  -90          222.462    -90          112.154     -90          
1 1 1 0  21 28 o 0 1      5.9   ?    ?   54.5341  -90          6.62099    -90          25.4662     90           
1 1 1 0  21 29 o 0 1.7    6     ?    ?   26.6047  90           3.86569    90           11.1687     -90          
1 1 1 0  21 30 o 0 3.5    5.9   ?    ?   52.9223  -90          9.07917    -90          20.2634     90           
1 1 1 0  21 31 o 0 -2     6.4   ?    ?   79.9551  90           8.44263    90           33.8251     -90          
1 1 1 0  21 32 o 0 5.6    9     ?    ?   134.433  90           33.2035    90           35.6463     -90          
1 1 1 0  21 33 o 0 -1.5   9.1   ?    ?   7.94063  -90          1.57136    -90          2.18706     90           
1 1 1 0  22 0  o 0 1291.8 168.3 ?    ?   375.853  -180         937.96     180          710.631     180          
1 1 1 0  22 1  o 0 322.7  36.2  ?    ?   749.257  180          477.307    180          25.291      180          
1 1 1 0  22 2  o 0 48.9   11    ?    ?   43.4502  0            39.2084    0            13.0799     0            
1 1 1 0  22 3  o 0 86.1   16.1  ?    ?   507.562  -8.4154e-15  242.23     0            61.8164     180          
1 1 1 0  22 4  o 0 1426   151.4 ?    ?   1780.19  180          980.047    180          81.5981     8.42753e-14  
1 1 1 0  22 5  o 0 581.8  54.3  ?    ?   847.51   180          630.636    180          127.753     180          
1 1 1 0  22 6  o 0 40.7   8.5   ?    ?   240.564  0            131.67     0            10.2727     180          
1 1 1 0  22 7  o 0 58     9.1   ?    ?   360.994  -180         191.351    180          22.7817     1.01281e-13  
1 1 1 0  22 8  o 0 58.9   10.1  ?    ?   188.688  0            160.19     0            49.0129     0            
1 1 1 0  22 9  f 1 558.8  60.4  ?    ?   933.125  0            600.012    0            55.5768     0            
1 1 1 0  22 10 o 0 203.8  23.7  ?    ?   412.036  0            383.606    0            129.329     0            
1 1 1 0  22 11 o 0 86.8   14.4  ?    ?   447.451  -5.17714e-15 246.291    0            27.5624     180          
1 1 1 0  22 12 o 0 499.8  54.9  ?    ?   699.178  0            588.12     0            159.572     0            
1 1 1 0  22 13 o 0 250    34.6  ?    ?   678.263  180          411.579    180          0.294249    3.14251e-12  
1 1 1 0  22 14 o 0 16.3   10.3  ?    ?   137.055  180          33.5965    180          48.8148     4.82922e-15  
1 1 1 0  22 15 o 0 62.2   18.1  ?    ?   390.378  180          192.739    180          34.9016     3.87486e-14  
1 1 1 0  22 16 o 0 312.8  45    ?    ?   782.892  0            443.762    0            7.81918     180          
1 1 1 0  22 17 o 0 48     11.4  ?    ?   258.241  180          160.372    180          13.1085     -180         
1 1 1 0  22 19 o 0 91.2   20.5  ?    ?   335.54   -5.27071e-15 227.563    0            50.8206     1.83303e-14  
1 1 1 0  22 20 f 1 144.3  26.8  ?    ?   581.52   180          284.524    180          6.40512     3.11692e-13  
1 1 1 0  22 21 o 0 55.6   10.7  ?    ?   179.394  -6.20829e-17 161.294    0            72.5327     7.59734e-17  
1 1 1 0  22 22 o 0 41     9     ?    ?   608.042  0            147.677    0            144.811     180          
1 1 1 0  22 23 o 0 77.4   10.2  ?    ?   384.346  180          202.982    180          20.8155     180          
1 1 1 0  22 24 o 0 -5.6   5.4   ?    ?   58.0512  180          2.62063    180          32.5561     5.64815e-16  
1 1 1 0  22 25 o 0 1      5.5   ?    ?   55.3095  180          6.05195    180          27.5956     1.53882e-15  
1 1 1 0  22 26 o 0 35.7   7     ?    ?   291.707  180          160.815    180          13.7251     8.22135e-14  
1 1 1 0  22 27 o 0 45.8   7.5   ?    ?   141.257  0            174.16     0            90.8997     0            
1 1 1 0  22 28 o 0 7      5.7   ?    ?   19.7415  0            5.56839    0            5.61382     180          
1 1 1 0  22 29 o 0 8.7    5.6   ?    ?   247.278  -3.57036e-15 55.9696    0            77.7417     180          
1 1 1 0  22 30 o 0 3.6    5.9   ?    ?   0.475654 180          0.0989458  180          0.150541    4.61185e-15  
1 1 1 0  22 31 o 0 57.7   10.1  ?    ?   318.744  180          185.365    180          21.4403     180          
1 1 1 0  22 32 o 0 0.3    6.7   ?    ?   74.7092  0            12.2985    0            23.2314     180          
1 1 1 0  22 33 o 0 18.4   8.9   ?    ?   106.167  0            76.4504    0            31.5448     0            
1 1 1 0  23 1  o 0 90.4   15.9  ?    ?   281.614  90           239.519    90           70.6687     90           
1 1 1 0  23 2  o 0 34.7   14.8  ?    ?   193.866  90           92.4858    90           23.3993     -90          
1 1 1 0  23 3  o 0 17.2   12    ?    ?   89.626   90           21.2326    90           32.1453     -90          
1 1 1 0  23 4  o 0 151.3  20.4  ?    ?   461.28   90           317.014    90           43.4714     90           
1 1 1 0  23 5  o 0 1.2    7.9   ?    ?   45.5338  90           2.90449    90           25.6639     -90          
1 1 1 0  23 6  o 0 25.3   9.6   ?    ?   18.5998  -90          8.66201    -90          2.94393     90           
1 1 1 0  23 7  o 0 112.7  13.6  ?    ?   486.656  -90          286.843    -90          14.9888     90           
1 1 1 0  23 8  o 0 181.4  19.5  ?    ?   673.548  90           361.905    90           57.3759     -90          
1 1 1 0  23 9  o 0 15.2   8.1   ?    ?   253.561  90           56.4154    90           100.3       -90          
1 1 1 0  23 10 o 0 6      12.8  ?    ?   317.862  90           37.8086    90           157.143     -90          
1 1 1 0  23 11 o 0 10.1   11.8  ?    ?   4.45548  90           0.746135   90           1.96411     -90          
1 1 1 0  23 12 o 0 197.8  39.1  ?    ?   502.458  90           358.239    90           55.2634     90           
1 1 1 0  23 13 o 0 78.3   15.7  ?    ?   110.744  90           168.301    90           103.473     90           
1 1 1 0  23 14 o 0 64.5   19.5  ?    ?   431.715  90           194.189    90           56.0604     -90          
1 1 1 0  23 15 o 0 117.9  17.5  ?    ?   273.517  -90          271.136    -90          114.223     -90          
1 1 1 0  23 16 o 0 34.9   14.8  ?    ?   357.188  90           126.873    90           64.994      -90          
1 1 1 0  23 17 f 1 38.6   11.8  ?    ?   261.208  90           136.437    90           1.92028     -90          
1 1 1 0  23 18 o 0 -1.9   10.7  ?    ?   29.1983  -90          2.6852     -90          12.0959     90           
1 1 1 0  23 19 o 0 -6.7   10.5  ?    ?   99.8534  90           6.77141    90           43.1472     -90          
1 1 1 0  23 20 o 0 20.3   15.2  ?    ?   34.0378  90           13.9228    90           2.63872     -90          
1 1 1 0  23 21 o 0 6.8    7.2   ?    ?   213.492  90           27.9183    90           74.5474     -90          
1 1 1 0  23 22 f 1 23     7.5   ?    ?   375.623  90           103.349    90           82.1074     -90          
1 1 1 0  23 23 o 0 13.4   8.2   ?    ?   46.4344  -90          18.4295    -90          9.67534     90           
1 1 1 0  23 24 o 0 -1     6     ?    ?   108.108  90           10.1211    90           55.6066     -90          
1 1 1 0  23 25 o 0 48.2   7.8   ?    ?   369.449  90           188.313    90           33.2196     -90          
1 1 1 0  23 26 o 0 71.4   9.5   ?    ?   510.303  90           226.154    90           74.7919     -90          
1 1 1 0  23 27 o 0 15.8   7.4   ?    ?   86.479   90           54.4104    90           5.37166     90           
1 1 1 0  23 28 o 0 -4.4   7.2   ?    ?   43.4346  -90          4.53372    -90          18.9926     90           
1 1 1 0  23 29 o 0 5.9    5.7   ?    ?   8.91102  -90          2.48205    -90          2.2026      90           
1 1 1 0  23 30 o 0 25.7   6.4   ?    ?   101.037  90           113.239    90           64.0596     90           
1 1 1 0  23 31 o 0 18.9   6.7   ?    ?   94.7324  -90          88.5822    -90          47.5208     -90          
1 1 1 0  24 0  o 0 119.4  34.8  ?    ?   369.7    -180         265.456    180          31.1743     180          
1 1 1 0  24 1  o 0 7.8    13.1  ?    ?   88.1517  -180         13.7785    180          41.9604     6.01196e-15  
1 1 1 0  24 2  o 0 61.7   14.7  ?    ?   254.728  180          196.338    180          35.7341     180          
1 1 1 0  24 3  o 0 1.3    13.2  ?    ?   176.918  -180         19.0583    180          92.0957     1.21045e-14  
1 1 1 0  24 4  o 0 16.9   8.9   ?    ?   230.376  180          58.5501    180          85.5915     4.79988e-15  
1 1 1 0  24 5  o 0 19.8   8.9   ?    ?   253.417  180          75.1726    180          82.633      -1.63808e-14 
1 1 1 0  24 6  o 0 -0.6   12.4  ?    ?   165.153  180          15.1525    180          87.1414     1.22009e-15  
1 1 1 0  24 7  o 0 17.3   8.7   ?    ?   41.6697  180          12.6092    180          13.0478     -6.4045e-14  
1 1 1 0  24 8  o 0 0.9    9.5   ?    ?   12.3029  180          0.965619   180          6.56044     1.03278e-15  
1 1 1 0  24 9  o 0 213.7  22.6  ?    ?   550.766  -5.61614e-15 382.841    0            55.0237     3.34595e-14  
1 1 1 0  24 10 o 0 12     8.9   ?    ?   81.1689  0            16.8058    0            31.1393     180          
1 1 1 0  24 11 o 0 28.2   8.2   ?    ?   122.922  -5.07283e-15 73.6203    0            1.60338     2.2785e-13   
1 1 1 0  24 12 o 0 98.5   14.9  ?    ?   648.998  180          252.336    180          124.598     1.42103e-14  
1 1 1 0  24 13 o 0 48.1   10.1  ?    ?   68.5835  180          82.3647    180          45.0071     180          
1 1 1 0  24 14 o 0 19.8   12.9  ?    ?   257.496  0            71.0877    0            67.8028     180          
1 1 1 0  24 15 o 0 22.7   11.6  ?    ?   59.9151  1.04246e-14  26.365     0            5.61972     -180         
1 1 1 0  24 16 o 0 18.2   11.9  ?    ?   87.7321  180          30.0899    180          14.6048     1.44563e-14  
1 1 1 0  24 17 o 0 92.3   16.3  ?    ?   283.847  -6.42456e-15 229.245    0            86.2868     1.0644e-14   
1 1 1 0  24 18 f 1 14.2   11.3  ?    ?   39.6328  0            11.6317    0            7.76728     180          
1 1 1 0  24 19 o 0 1.6    10.8  ?    ?   52.2293  -8.82456e-15 6.35795    0            18.9524     180          
1 1 1 0  24 20 f 1 15.3   15.3  ?    ?   128.506  0            41.0505    0            23.0834     180          
1 1 1 0  24 21 o 0 30.9   8.2   ?    ?   88.1858  0            97.3451    0            43.3313     0            
1 1 1 0  24 22 o 0 9.3    7.8   ?    ?   14.5592  0            4.79773    0            4.17014     180          
1 1 1 0  24 23 f 1 52.2   11.9  ?    ?   545.614  -2.9763e-15  194.774    0            135.489     180          
1 1 1 0  24 24 f 1 6.2    6.2   ?    ?   8.65685  0            2.0739     0            3.09704     180          
1 1 1 0  24 25 o 0 25.7   8.2   ?    ?   272.212  -5.04685e-15 126.716    0            30.2169     180          
1 1 1 0  24 26 o 0 134.7  15.3  ?    ?   401.807  0            304.026    0            76.2101     0            
1 1 1 0  24 27 o 0 9.3    5.7   ?    ?   172.795  0            51.2658    0            42.3699     180          
1 1 1 0  24 28 o 0 13.2   5.8   ?    ?   35.3116  180          24.9668    180          6.38387     180          
1 1 1 0  24 29 o 0 40.9   7.6   ?    ?   340.392  -2.73413e-15 156.882    0            9.07226     180          
1 1 1 0  24 30 o 0 3.5    5.8   ?    ?   88.1243  0            22.1675    0            16.1144     180          
1 1 1 0  25 1  o 0 56.1   20.4  ?    ?   279.619  90           176.448    90           6.49673     90           
1 1 1 0  25 2  o 0 1.6    14.7  ?    ?   40.6111  -90          5.6222     -90          18.9941     90           
1 1 1 0  25 3  o 0 27.9   15.3  ?    ?   270.524  -90          98.8333    -90          64.5939     90           
1 1 1 0  25 4  o 0 545.3  51.8  ?    ?   1054.97  90           615.925    90           18.8533     -90          
1 1 1 0  25 5  o 0 184.4  32.3  ?    ?   590.839  90           352.775    90           1.09549     -90          
1 1 1 0  25 6  o 0 5.4    10.4  ?    ?   24.6814  90           3.19816    90           11.5072     -90          
1 1 1 0  25 7  o 0 43     10.3  ?    ?   193.781  90           141.895    90           27.1079     90           
1 1 1 0  25 8  o 0 20.2   9.3   ?    ?   249.915  -90          77.5923    -90          69.5005     90           
1 1 1 0  25 9  o 0 16.4   11.8  ?    ?   11.8205  90           3.65245    90           2.88736     -90          
1 1 1 0  25 10 o 0 18.7   8.8   ?    ?   34.7869  -90          13.9346    -90          5.16695     90           
1 1 1 0  25 11 o 0 -7.3   8.1   ?    ?   68.0178  -90          3.08379    -90          33.9634     90           
1 1 1 0  25 12 o 0 98.2   18    ?    ?   472.189  -90          245.039    -90          9.92856     90           
1 1 1 0  25 13 o 0 14.2   5.8   ?    ?   384.716  -90          77.919     -90          120.658     90           
1 1 1 0  25 14 o 0 17     5.8   ?    ?   144.782  -90          56.018     -90          17.9864     90           
1 1 1 0  25 15 o 0 41.6   7.8   ?    ?   166.416  90           132.966    90           48.7774     90           
1 1 1 0  25 16 o 0 6      13    ?    ?   12.2904  90           2.26902    90           3.79592     -90          
1 1 1 0  25 17 o 0 90.5   16.5  ?    ?   467.101  -90          222.962    -90          4.91325     90           
1 1 1 0  25 18 o 0 134.1  25.6  ?    ?   461.581  -90          265.139    -90          32.3728     -90          
1 1 1 0  25 19 o 0 -13.3  14.7  ?    ?   24.4793  90           3.13861    90           11.9895     -90          
1 1 1 0  25 20 o 0 13.2   15.4  ?    ?   55.144   -90          25.3586    -90          8.95161     90           
1 1 1 0  25 21 o 0 16.5   7.2   ?    ?   309.976  90           97.6541    90           92.5803     -90          
1 1 1 0  25 23 o 0 4      7.2   ?    ?   45.4025  -90          9.70669    -90          16.8247     90           
1 1 1 0  25 24 o 0 13     7.2   ?    ?   259.362  -90          75.8852    -90          73.345      90           
1 1 1 0  25 25 o 0 11.7   7.3   ?    ?   91.9397  90           40.9431    90           9.67532     -90          
1 1 1 0  25 26 o 0 19.8   6.6   ?    ?   169.503  -90          103.136    -90          12.3984     -90          
1 1 1 0  25 27 f 1 -3.9   5.8   ?    ?   137.063  90           13.3549    90           54.5256     -90          
1 1 1 0  25 28 o 0 -0.3   5.7   ?    ?   116.487  -90          15.382     -90          41.43       90           
1 1 1 0  25 29 o 0 5.8    5.7   ?    ?   94.2593  90           30.2018    90           10.7839     -90          
1 1 1 0  26 0  o 0 481.4  94    ?    ?   1009.88  -3.12776e-14 545.29     0            25.3014     180          
1 1 1 0  26 1  o 0 132.1  28.6  ?    ?   412.302  -8.05911e-15 293.243    0            60.7293     3.08559e-14  
1 1 1 0  26 2  o 0 25.5   22.1  ?    ?   70.4209  0            31.9914    0            7.62023     180          
1 1 1 0  26 3  o 0 -3.6   10.5  ?    ?   117.352  -180         9.37175    180          56.4266     1.53411e-15  
1 1 1 0  26 4  o 0 7      10.4  ?    ?   161.856  0            24.0928    0            66.3091     180          
1 1 1 0  26 5  o 0 53.5   11.5  ?    ?   444.055  -3.76729e-15 185.601    0            61.3075     180          
1 1 1 0  26 6  f 1 51.8   11    ?    ?   427.209  0            181.621    0            54.1046     180          
1 1 1 0  26 7  o 0 36.6   10.6  ?    ?   261.508  -3.12196e-15 138.221    0            5.6225      180          
1 1 1 0  26 8  o 0 277.3  32.3  ?    ?   764.495  0            419.953    0            2.08039     0            
1 1 1 0  26 9  o 0 94.8   15    ?    ?   596.481  -180         243.681    180          68.7104     2.50382e-14  
1 1 1 0  26 10 o 0 113.2  16    ?    ?   460.617  180          264.923    180          25.481      180          
1 1 1 0  26 11 o 0 15.2   9.9   ?    ?   96.6708  -180         28.086     180          21.7639     9.54769e-15  
1 1 1 0  26 12 o 0 33.2   8.1   ?    ?   327.169  180          135.159    180          32.1049     2.95398e-14  
1 1 1 0  26 13 o 0 23.2   6.9   ?    ?   334.617  9.9076e-18   109.035    0            58.1223     -180         
1 1 1 0  26 14 o 0 18.2   6     ?    ?   70.0089  0            35.1789    0            0.545101    0            
1 1 1 0  26 15 o 0 0.7    4.8   ?    ?   199.298  -4.64374e-15 12.5       0            89.5884     180          
1 1 1 0  26 16 o 0 4.5    5.3   ?    ?   75.1521  180          11.0004    180          36.2569     2.12888e-15  
1 1 1 0  26 17 o 0 13.3   5.8   ?    ?   91.976   4.17727e-15  41.0864    0            16.092      -180         
1 1 1 0  26 18 o 0 22.1   14.7  ?    ?   113.702  0            71.7388    0            0.49266     0            
1 1 1 0  26 19 o 0 161    29.2  ?    ?   445.506  180          346.529    180          70.8648     180          
1 1 1 0  26 22 o 0 12     7.7   ?    ?   63.6167  0            30.1323    0            6.90096     180          
1 1 1 0  26 23 o 0 3.4    6.8   ?    ?   2.49623  180          0.505842   180          0.886253    4.00489e-15  
1 1 1 0  26 24 o 0 0.9    6.6   ?    ?   21.4826  180          3.24206    180          8.55381     2.65946e-15  
1 1 1 0  26 25 o 0 13.4   6.4   ?    ?   238.959  180          78.0794    180          49.5711     -8.23662e-15 
1 1 1 0  26 26 o 0 3.6    6.3   ?    ?   201.237  0            34.9559    0            64.8128     180          
1 1 1 0  26 27 o 0 32.6   7.4   ?    ?   118.393  0            136.756    0            84.3622     0            
1 1 1 0  27 1  o 0 212.2  52.3  ?    ?   648.142  -90          352.054    -90          6.66929     -90          
1 1 1 0  27 2  o 0 63.1   24.9  ?    ?   290.735  -90          177.408    -90          22.8539     -90          
1 1 1 0  27 3  o 0 13.9   11    ?    ?   146.269  90           37.4197    90           40.0976     -90          
1 1 1 0  27 4  o 0 10.1   10.7  ?    ?   305.781  -90          49.7884    -90          111.662     90           
1 1 1 0  27 5  o 0 23.7   9.9   ?    ?   29.2808  -90          16.7322    -90          1.33928     -90          
1 1 1 0  27 6  o 0 32.7   11.7  ?    ?   164.015  -90          103.065    -90          17.271      -90          
1 1 1 0  27 7  o 0 7.1    10.4  ?    ?   235.002  90           33.6373    90           88.6025     -90          
1 1 1 0  27 8  o 0 62.1   12.3  ?    ?   199.328  -90          187.155    -90          85.5416     -90          
1 1 1 0  27 9  o 0 90.6   14.2  ?    ?   514.076  -90          233.356    -90          26.9342     90           
1 1 1 0  27 10 o 0 12.3   12.5  ?    ?   72.915   -90          19.0612    -90          17.5859     90           
1 1 1 0  27 11 o 0 -5.1   10.3  ?    ?   210.994  -90          16.1647    -90          89.0389     90           
1 1 1 0  27 12 o 0 85.9   12.7  ?    ?   201.77   -90          220.838    -90          116.484     -90          
1 1 1 0  27 13 o 0 139.6  17    ?    ?   624.738  90           348.549    90           48.7904     -90          
1 1 1 0  27 14 o 0 -1.2   5.4   ?    ?   132.318  90           9.34581    90           73.9968     -90          
1 1 1 0  27 15 o 0 -1.9   5.4   ?    ?   91.4334  -90          7.33116    -90          50.818      90           
1 1 1 0  27 16 o 0 3.3    5.5   ?    ?   120.324  90           17.5531    90           58.1435     -90          
1 1 1 0  27 17 o 0 62.3   10.4  ?    ?   274.291  -90          221.672    -90          50.6992     -90          
1 1 1 0  27 18 o 0 27.6   7.1   ?    ?   309.84   90           142.472    90           48.3535     -90          
1 1 1 0  27 19 o 0 9      6.5   ?    ?   72.4143  90           26.0598    90           17.0239     -90          
1 1 1 0  27 20 o 0 -5.2   6.7   ?    ?   1.7345   -90          0.156533   -90          0.861927    90           
1 1 1 0  27 21 o 0 21.5   8.3   ?    ?   184.571  -90          106.809    -90          2.86422     -90          
1 1 1 0  27 23 o 0 76.2   15.8  ?    ?   180.985  90           219.531    90           121.668     90           
1 1 1 0  27 24 o 0 34.4   9.7   ?    ?   231.297  90           141.872    90           25.6612     90           
1 1 1 0  27 25 o 0 8.8    7.4   ?    ?   61.3889  -90          31.3079    -90          3.74305     -90          
1 1 1 0  28 1  o 0 77.1   25    ?    ?   232.525  0            200.14     0            80.5569     0            
1 1 1 0  28 2  o 0 36.7   30.3  ?    ?   146.026  0            83.5072    0            8.5794      0            
1 1 1 0  28 3  o 0 -6.6   10.8  ?    ?   117.276  -180         9.48891    180          50.5099     8.01959e-15  
1 1 1 0  28 4  o 0 19.9   11.6  ?    ?   277.779  180          80.5062    180          61.0968     9.2458e-15   
1 1 1 0  28 5  o 0 14.6   9.8   ?    ?   5.31597  180          1.70637    180          0.992084    -4.43717e-13 
1 1 1 0  28 6  f 1 2.6    10.2  ?    ?   65.6768  0            8.39308    0            24.6981     180          
1 1 1 0  28 7  o 0 -23.9  16.2  ?    ?   10.1693  -4.46785e-14 0.958924   0            4.38586     180          
1 1 1 0  28 8  o 0 100.2  16    ?    ?   470.865  0            241.035    0            4.93618     180          
1 1 1 0  28 9  o 0 44.5   15.2  ?    ?   203.023  180          176.65     180          45.9124     180          
1 1 1 0  28 10 o 0 -3.2   12.3  ?    ?   154.906  180          22.8497    180          76.1759     2.10473e-15  
1 1 1 0  28 11 o 0 8.9    8.7   ?    ?   58.9022  180          19.301     180          18.8085     7.20045e-15  
1 1 1 0  28 12 o 0 -9.4   7.4   ?    ?   4.22129  180          0.298255   180          2.40981     8.68436e-16  
1 1 1 0  28 13 o 0 24.6   7.3   ?    ?   335.144  -180         136.808    180          76.2525     2.54653e-14  
1 1 1 0  28 14 o 0 96.6   13.1  ?    ?   350.419  0            280.576    0            59.4615     0            
1 1 1 0  28 15 o 0 6.9    5.6   ?    ?   23.1608  3.42399e-14  6.31738    0            8.14813     -180         
1 1 1 0  28 16 o 0 -7     5.4   ?    ?   79.9961  180          4.26126    180          45.1638     6.62034e-16  
1 1 1 0  28 17 o 0 62.9   10.5  ?    ?   300.727  0            217.942    0            38.2408     0            
1 1 1 0  28 18 o 0 10.6   6     ?    ?   63.4158  180          28.3584    180          9.08429     2.1904e-14   
1 1 1 0  28 19 o 0 -3.1   6     ?    ?   53.546   -8.8725e-15  5.16964    0            25.1888     180          
1 1 1 0  28 20 o 0 0.3    6.3   ?    ?   169.074  0            23.1698    0            70.3631     180          
1 1 1 0  28 21 o 0 9.8    6.2   ?    ?   43.9663  180          20.4242    180          3.56587     4.01896e-14  
1 1 1 0  28 22 o 0 4.6    6.3   ?    ?   70.0683  0            18.5686    0            16.9986     180          
1 1 1 0  28 23 o 0 3.6    7.5   ?    ?   66.6738  0            21.084     0            9.19827     180          
1 1 1 0  28 24 o 0 20.6   8.5   ?    ?   154.362  0            96.5386    0            27.5114     0            
1 1 1 0  29 1  o 0 178.6  24.6  ?    ?   533.736  90           401.172    90           52.6702     90           
1 1 1 0  29 2  o 0 12.6   10.8  ?    ?   218.257  90           64.7833    90           77.4217     -90          
1 1 1 0  29 3  o 0 35.8   11.3  ?    ?   142.888  -90          145.083    -90          52.2466     -90          
1 1 1 0  29 4  o 0 79.9   36.1  ?    ?   308.968  -90          212.737    -90          12.6906     -90          
1 1 1 0  29 5  f 1 34.5   19.8  ?    ?   106.893  -90          103.95     -90          33.8182     -90          
1 1 1 0  29 6  o 0 -2.4   9.6   ?    ?   111.472  90           16.4865    90           56.4903     -90          
1 1 1 0  29 7  o 0 -8.1   9.9   ?    ?   5.99502  90           0.698057   90           3.20558     -90          
1 1 1 0  29 8  o 0 -10.8  17.7  ?    ?   80.6475  90           17.2596    90           34.9394     -90          
1 1 1 0  29 10 o 0 65.5   14.4  ?    ?   324.241  90           228.889    90           21.4553     90           
1 1 1 0  29 11 o 0 10.8   8.9   ?    ?   8.97236  -90          3.78298    -90          1.91234     90           
1 1 1 0  29 12 o 0 76.2   12.2  ?    ?   248.051  90           247.343    90           91.2102     90           
1 1 1 0  29 13 o 0 134.9  17.1  ?    ?   498.516  -90          326.428    -90          22.2213     -90          
1 1 1 0  29 14 o 0 23.1   6.7   ?    ?   167.671  -90          122.571    -90          21.2334     -90          
1 1 1 0  29 15 o 0 20.1   6.5   ?    ?   115.834  90           95.7064    90           26.4088     90           
1 1 1 0  29 16 o 0 26.9   6.8   ?    ?   216.281  -90          136.99     -90          12.5226     -90          
1 1 1 0  29 17 o 0 8.2    5.8   ?    ?   151.688  -90          44.1488    -90          42.1578     90           
1 1 1 0  29 18 o 0 -0.1   5.9   ?    ?   49.4645  -90          7.02035    -90          20.4739     90           
1 1 1 0  29 19 o 0 -1.5   6.5   ?    ?   23.9096  90           3.22372    90           9.90009     -90          
1 1 1 0  29 20 o 0 2.9    6.3   ?    ?   14.5762  -90          3.34088    -90          4.11103     90           
1 1 1 0  29 21 o 0 8.2    6.1   ?    ?   74.8415  -90          35.6376    -90          1.36169     -90          
1 1 1 0  29 22 o 0 12.9   6.9   ?    ?   81.1588  -90          56.5942    -90          19.9549     -90          
1 1 1 0  30 1  o 0 51.1   13.1  ?    ?   352.133  180          203.644    180          26.0495     5.48536e-14  
1 1 1 0  30 2  f 1 14.2   10.3  ?    ?   3.39941  180          1.91308    180          0.294173    4.56313e-14  
1 1 1 0  30 3  o 0 64.3   13.7  ?    ?   327.996  0            230.78     0            17.8349     0            
1 1 1 0  30 4  o 0 4.1    10.7  ?    ?   73.8854  180          19.3977    180          28.4104     4.79079e-15  
1 1 1 0  30 5  o 0 66.9   14.7  ?    ?   341.424  180          232.793    180          12.7544     180          
1 1 1 0  30 6  o 0 8.6    19.4  ?    ?   62.2331  180          28.1947    180          11.727      1.68699e-14  
1 1 1 0  30 7  o 0 9.8    17.8  ?    ?   58.4451  180          26.4443    180          10.8499     1.71018e-14  
1 1 1 0  30 8  o 0 67.4   20.7  ?    ?   354.028  180          215.751    180          3.94467     3.83774e-13  
1 1 1 0  30 13 f 1 148.8  22.5  ?    ?   321.238  180          329.954    180          143.958     180          
1 1 1 0  30 14 o 0 10.1   7.8   ?    ?   126.162  180          45.6181    180          26.9206     1.18901e-14  
1 1 1 0  30 15 o 0 -3.1   6.4   ?    ?   20.9406  180          2.49945    180          9.28397     1.88905e-15  
1 1 1 0  30 16 o 0 13.3   6.7   ?    ?   193.812  180          76.4288    180          31.4637     1.70443e-14  
1 1 1 0  30 17 o 0 29.6   8.5   ?    ?   211.248  0            136.139    0            26.4104     0            
1 1 1 0  30 18 o 0 68.3   13.8  ?    ?   340.688  0            208.742    0            33.8812     0            
1 1 1 0  30 19 o 0 15.6   7.1   ?    ?   73.8325  -180         67.1517    180          33.1633     180          
1 1 1 0  31 1  o 0 24.5   10.6  ?    ?   361.687  -90          123.878    -90          101.468     90           
1 1 1 0  31 3  o 0 19.5   10.2  ?    ?   154.182  -90          91.1757    -90          4.45819     90           
1 1 1 0  31 4  o 0 28     11.3  ?    ?   165.031  90           126.124    90           24.0912     90           
1 1 1 0  31 8  o 0 15.8   10.2  ?    ?   46.0647  90           30.748     90           3.58654     90           
1 1 1 0  31 11 o 0 -5.5   11.6  ?    ?   90.7985  90           18.0229    90           33.7994     -90          
1 1 1 0  31 12 o 0 1.3    8.7   ?    ?   33.911   -90          7.74068    -90          11.4538     90           
1 1 1 0  31 13 f 1 136.6  19    ?    ?   413.549  90           309.824    90           91.4368     90           
1 1 1 0  31 14 o 0 20.6   7.6   ?    ?   205.12   90           108.157    90           0.585496    90           
1 1 1 0  31 15 o 0 -3.3   6.8   ?    ?   76.7755  -90          10.3563    -90          29.5017     90           
1 1 1 0  31 16 o 0 4.2    5.8   ?    ?   41.2967  90           13.2894    90           5.9747      -90          
1 1 1 0  32 0  o 0 14.4   10.4  ?    ?   225.16   2.89022e-13  61.4126    0            70.3115     -180         
1 1 1 0  32 1  o 0 56.2   10.2  ?    ?   307.308  0            208.036    0            28.4488     0            
1 1 1 0  32 3  o 0 11     9.9   ?    ?   99.3154  180          45.4309    180          12.3631     -1.27495e-14 
1 1 1 0  32 4  o 0 28.6   11.4  ?    ?   204.449  180          129.213    180          10.6097     180          
1 1 1 0  32 9  o 0 15.6   10.7  ?    ?   113.952  -1.49112e-14 66.9621    0            6.13978     1.47715e-13  
1 1 1 0  32 10 o 0 55.2   13.8  ?    ?   356.667  0            189.323    0            0.274645    0            
1 1 1 0  32 11 f 1 24.4   12    ?    ?   124.216  -3.4956e-15  97.2758    0            32.1033     7.09636e-15  
1 1 1 0  32 13 o 0 2.2    11.1  ?    ?   25.6285  180          10.2024    180          1.83438     3.90255e-14  
1 1 1 0  33 1  o 0 14     9.9   ?    ?   159.39   90           71.1085    90           14.5876     -90          
1 1 1 0  33 2  o 0 0.2    10.2  ?    ?   7.9564   90           2.19706    90           2.07361     -90          
1 1 1 0  33 3  o 0 5.2    10.1  ?    ?   90.5202  -90          30.3528    -90          18.1214     90           
1 1 1 1  0  2  < 0 -0.6   0.1   ?    ?   ?        ?            1293.99    180          ?           ?            
1 1 1 1  0  3  f 1 0      0.2   ?    ?   160.568  -90          0.231274   -90          119.749     90           
1 1 1 1  0  4  o 0 31.9   4.3   ?    ?   392.918  1.64554e-14  167.262    0            129.994     -180         
1 1 1 1  0  5  o 0 80     8.5   ?    ?   502.067  90           297.203    90           84.9955     -90          
1 1 1 1  0  6  o 0 502.9  46    ?    ?   770.345  -180         750.993    180          162.635     180          
1 1 1 1  0  7  o 0 8      1     ?    ?   163.387  -90          27.9441    -90          98.2474     90           
1 1 1 1  0  8  o 0 19.2   2     ?    ?   160.123  1.56366e-14  63.5266    0            60.0496     -180         
1 1 1 1  0  9  o 0 55     6     ?    ?   70.2521  90           80.3503    90           27.2695     90           
1 1 1 1  0  10 o 0 1846.7 238.1 ?    ?   2054.98  -6.75443e-15 1383.87    0            163.363     180          
1 1 1 1  0  12 o 0 251.6  26.8  ?    ?   338.126  -5.66854e-15 480.881    0            246.568     5.3868e-15   
1 1 1 1  0  13 o 0 10.1   1.6   ?    ?   91.386   90           17.7599    90           45.1489     -90          
1 1 1 1  0  14 o 0 23.5   2.7   ?    ?   494.507  180          141.132    180          217.269     4.13862e-16  
1 1 1 1  0  15 f 1 5.1    1.7   ?    ?   86.6754  90           8.06551    90           54.0676     -90          
1 1 1 1  0  16 o 0 119.3  11.2  ?    ?   359.102  -180         337.387    180          81.6757     180          
1 1 1 1  0  17 o 0 43.4   4.6   ?    ?   278.814  -90          187.274    -90          19.4817     90           
1 1 1 1  0  18 o 0 60.7   7     ?    ?   585.243  -9.99209e-15 255.506    0            173.809     180          
1 1 1 1  0  19 o 0 648.1  68.6  ?    ?   1121.61  -90          821.856    -90          8.56335     -90          
1 1 1 1  0  20 o 0 39.1   6.4   ?    ?   225.281  180          141.025    180          11.4274     -2.27877e-14 
1 1 1 1  0  21 o 0 159.3  21.2  ?    ?   568.128  90           376.909    90           4.31628     -90          
1 1 1 1  0  22 o 0 1.1    3.6   ?    ?   79.8553  -8.15591e-15 2.48407    0            50.3644     180          
1 1 1 1  0  23 o 0 360.8  33.4  ?    ?   702.314  90           553.823    90           95.7465     90           
1 1 1 1  0  24 o 0 224.8  24.5  ?    ?   496.858  180          430.149    180          107.597     180          
1 1 1 1  0  25 o 0 40.2   6.6   ?    ?   423.727  -90          157.449    -90          93.5939     90           
1 1 1 1  0  26 o 0 60.9   8.6   ?    ?   234.287  -6.52285e-16 171.895    0            34.9693     2.55408e-15  
1 1 1 1  0  27 o 0 44.3   6.6   ?    ?   154.281  90           103.603    90           14.9908     90           
1 1 1 1  0  28 f 1 176.1  17.3  ?    ?   290.224  -180         327.721    180          164.794     180          
1 1 1 1  0  29 o 0 92.3   10.8  ?    ?   543.859  -90          234.046    -90          66.3534     90           
1 1 1 1  0  30 o 0 -4.4   8.7   ?    ?   102.595  2.72353e-15  4.20369    0            52.0113     -180         
1 1 1 1  0  31 o 0 204.6  28.6  ?    ?   633.575  -90          354.037    -90          11.4235     90           
1 1 1 1  0  32 o 0 63.9   11.5  ?    ?   464.84   1.85015e-15  192.63     0            69.9635     -180         
1 1 1 1  0  33 o 0 81.1   12.6  ?    ?   616.849  90           213.656    90           120.519     -90          
1 1 1 1  0  34 o 0 25.2   8.3   ?    ?   42.7702  -180         24.3732    180          2.92244     180          
1 1 1 1  0  35 o 0 14.5   7.9   ?    ?   224.944  90           51.5356    90           54.843      -90          
1 1 1 1  0  36 o 0 31.7   8.5   ?    ?   162.167  180          100.521    180          26.6562     180          
1 1 1 1  0  37 o 0 169.1  17.8  ?    ?   294.915  -90          281.471    -90          144.307     -90          
1 1 1 1  0  38 o 0 11.2   8     ?    ?   52.7327  180          19.1323    180          11.1531     1.20366e-14  
1 1 1 1  0  39 o 0 24.6   9.2   ?    ?   151.327  90           102.792    90           17.8912     90           
1 1 1 1  0  40 o 0 39.7   12.5  ?    ?   273.223  -3.33921e-15 145.104    0            0.968034    180          
1 1 1 1  0  41 f 1 22.4   17.1  ?    ?   155.099  90           75.1037    90           3.18482     -90          
1 1 1 1  0  42 o 0 5.8    9.2   ?    ?   74.9335  180          20.3071    180          16.1651     8.81462e-15  
1 1 1 1  0  43 o 0 4.1    8.8   ?    ?   148.374  -90          35.946     -90          24.2314     90           
1 1 1 1  1  2  < 0 -0.3   0.1   ?    ?   ?        ?            530.18     -148.376     ?           ?            
1 1 1 1  1  5  o 0 299.3  20.7  ?    ?   587.767  -111.687     651.585    -111.687     215.021     -111.687     
1 1 1 1  1  6  f 1 759.7  52.4  ?    ?   1267.99  146.418      843.607    146.418      102.241     -33.5815     
1 1 1 1  1  7  o 0 430.6  27.9  ?    ?   737.671  -38.2544     790.468    -38.2544     231.017     -38.2544     
1 1 1 1  1  8  o 0 96.5   6.3   ?    ?   612.283  11.2311      149.566    11.2311      315.477     -168.769     
1 1 1 1  1  10 o 0 740.9  67.7  ?    ?   1038.19  73.1909      972.6      73.1909      200.781     73.1909      
1 1 1 1  1  12 o 0 264.9  19.9  ?    ?   659.594  -71.9863     494.596    -71.9863     42.2387     -71.9863     
1 1 1 1  1  14 o 0 65.5   4.5   ?    ?   281.889  -50.8631     212.165    -50.8631     9.63326     -50.8631     
1 1 1 1  1  15 o 0 221.9  14.5  ?    ?   722.761  133.322      385.823    133.322      129.471     -46.6782     
1 1 1 1  1  16 o 0 162.9  11.5  ?    ?   607.416  165.608      324.569    165.608      104.766     -14.3916     
1 1 1 1  1  18 o 0 53.8   4.2   ?    ?   455.882  -169.473     94.2332    -169.473     238.055     10.5268      
1 1 1 1  1  19 o 0 129.5  10    ?    ?   170.497  -160.553     456.653    -160.553     333.758     -160.553     
1 1 1 1  1  20 o 0 98.8   8.6   ?    ?   146.043  15.9529      323.623    15.9529      225.341     15.9529      
1 1 1 1  1  21 o 0 30     4.8   ?    ?   158.974  -56.9825     66.1306    -56.9825     39.9911     123.018      
1 1 1 1  1  22 o 0 93.8   8.4   ?    ?   329.317  -177.059     287.952    -177.059     71.0659     -177.059     
1 1 1 1  1  23 o 0 78.5   6.7   ?    ?   253.786  32.309       261.011    32.309       96.2338     32.309       
1 1 1 1  1  24 o 0 227.3  16.2  ?    ?   631.813  19.0075      424.166    19.0075      15.7498     19.0075      
1 1 1 1  1  25 o 0 478.7  31.2  ?    ?   903.252  87.2689      591.34     87.2689      58.3297     87.2689      
1 1 1 1  1  26 f 1 26.2   4     ?    ?   365.455  147.369      6.41813    -32.6309     218.657     -32.6309     
1 1 1 1  1  27 o 0 48.1   5.1   ?    ?   183.885  -112.632     127.915    -112.632     22.6707     -112.632     
1 1 1 1  1  28 o 0 504.6  35.3  ?    ?   966.464  65.9133      554.437    65.9133      12.2705     65.9133      
1 1 1 1  1  29 o 0 61.4   6.5   ?    ?   373.95   30.7981      128.93     30.7981      76.9837     -149.202     
1 1 1 1  1  30 o 0 93.9   9.8   ?    ?   242.478  -137.426     263.873    -137.426     131.395     -137.426     
1 1 1 1  1  31 o 0 78     10.1  ?    ?   392.123  -23.4861     177.099    -23.4861     48.475      156.514      
1 1 1 1  1  32 o 0 245.6  19.6  ?    ?   454.113  -129.43      477.628    -129.43      221.743     -129.43      
1 1 1 1  1  33 o 0 83.5   8.2   ?    ?   317.142  -87.6667     226.307    -87.6667     54.9025     -87.6667     
1 1 1 1  1  34 o 0 11.5   5.6   ?    ?   331.471  166.751      49.0773    -13.2494     214.955     -13.2494     
1 1 1 1  1  35 o 0 44.7   6.4   ?    ?   83.5806  128.291      130.254    128.291      90.8093     128.291      
1 1 1 1  1  36 o 0 13.2   5.6   ?    ?   230.608  145.107      9.39972    145.107      95.4383     -34.893      
1 1 1 1  1  37 o 0 146.4  11.2  ?    ?   314.402  -139.319     357.278    -139.319     211.309     -139.319     
1 1 1 1  1  38 o 0 140.6  10.9  ?    ?   542.269  -27.4781     298.739    -27.4781     12.1872     152.522      
1 1 1 1  1  39 o 0 -2.3   6.3   ?    ?   111.587  -89.5465     24.7188    90.4535      87.2294     90.4535      
1 1 1 1  1  40 o 0 56.5   9.5   ?    ?   336.942  -106.755     173.567    -106.755     6.32153     73.2446      
1 1 1 1  1  41 o 0 96.4   12.2  ?    ?   366.89   79.8228      269.719    79.8228      84.2841     79.8228      
1 1 1 1  1  42 o 0 30     8.3   ?    ?   210.582  44.0775      125.846    44.0775      23.4686     44.0775      
1 1 1 1  1  43 o 0 7.6    7     ?    ?   70.2816  -51.5467     47.3287    -51.5467     18.8538     -51.5467     
1 1 1 1  2  0  < 0 -0.1   0.1   ?    ?   ?        ?            39.9888    90           ?           ?            
1 1 1 1  2  1  < 0 -0.4   0.1   ?    ?   ?        ?            70.3138    -99.9275     ?           ?            
1 1 1 1  2  2  < 0 -0.3   0.1   ?    ?   ?        ?            369.559    -95.6447     ?           ?            
1 1 1 1  2  3  o 0 93     7.7   ?    ?   652.354  123.763      104.097    123.763      366.182     -56.2366     
1 1 1 1  2  5  o 0 133.7  8.7   ?    ?   646.085  -80.3944     234.256    -80.3944     239.092     99.6056      
1 1 1 1  2  6  o 0 710.1  45.8  ?    ?   1187.5   161.611      829.698    161.611      45.8377     -18.3886     
1 1 1 1  2  7  o 0 2751.7 189.3 ?    ?   2342.54  84.2571      1632.22    84.2571      119.896     -95.7429     
1 1 1 1  2  8  o 0 80.6   6.1   ?    ?   470.261  -68.2623     184.07     -68.2623     168.432     111.738      
1 1 1 1  2  9  o 0 175    13.2  ?    ?   737.363  86.8818      280.716    86.8818      261.837     -93.1182     
1 1 1 1  2  10 o 0 568.7  46.5  ?    ?   1081.68  179.109      719.478    179.109      75.4526     -0.891138    
1 1 1 1  2  11 o 0 953.5  71.2  ?    ?   1050.38  -95.938      1104.06    -95.938      388.096     -95.938      
1 1 1 1  2  12 o 0 407.1  30.5  ?    ?   703.992  -89.5047     693.596    -89.5047     215.61      -89.5047     
1 1 1 1  2  15 o 0 295.1  20.6  ?    ?   841.346  -163.283     444.393    -163.283     150.531     16.7175      
1 1 1 1  2  16 o 0 182.8  12.8  ?    ?   550.985  30.7001      447.334    30.7001      40.8311     30.7001      
1 1 1 1  2  17 o 0 40.5   3.1   ?    ?   194.32   99.9014      128.734    99.9014      13.3393     -80.0986     
1 1 1 1  2  18 o 0 94.7   6.9   ?    ?   246.178  55.2851      349.764    55.2851      171.553     55.2851      
1 1 1 1  2  19 o 0 373.4  30.8  ?    ?   1042.51  31.8313      472.525    31.8313      274.076     -148.169     
1 1 1 1  2  20 f 1 918.6  75.2  ?    ?   1013.29  -93.6132     1107.49    -93.6132     431.474     -93.6132     
1 1 1 1  2  21 o 0 13.1   3     ?    ?   112.514  -102.864     14.6401    77.1357      89.3149     77.1357      
1 1 1 1  2  22 o 0 99.9   8.9   ?    ?   332.062  -145.446     303.612    -145.446     86.113      -145.446     
1 1 1 1  2  23 o 0 1036.7 84.8  ?    ?   984.889  -76.1543     1194.18    -76.1543     558.028     -76.1543     
1 1 1 1  2  24 o 0 547.1  38.1  ?    ?   1066.1   69.6754      628.648    69.6754      57.1148     -110.325     
1 1 1 1  2  25 o 0 172.2  11.8  ?    ?   587.63   90.7676      307.263    90.7676      37.88       -89.2324     
1 1 1 1  2  26 o 0 16.6   3.5   ?    ?   299.491  -94.9635     38.1759    85.0365      211.781     85.0365      
1 1 1 1  2  27 o 0 488.4  34.1  ?    ?   731.468  89.5443      670.987    89.5443      254.105     89.5443      
1 1 1 1  2  28 o 0 60.6   6.6   ?    ?   191.377  77.1576      173.541    77.1576      66.6129     77.1576      
1 1 1 1  2  29 o 0 779.5  64.2  ?    ?   853.517  -16.2104     858.609    -16.2104     390.414     -16.2104     
1 1 1 1  2  30 o 0 164.8  13.7  ?    ?   554.748  -102.805     282.891    -102.805     19.0977     77.1955      
1 1 1 1  2  31 o 0 135.8  12    ?    ?   488.142  31.8535      270.015    31.8535      9.82737     -148.146     
1 1 1 1  2  32 o 0 956.9  71.8  ?    ?   1106.18  -136.278     852.317    -136.278     231.047     -136.278     
1 1 1 1  2  33 o 0 68.5   8.4   ?    ?   297.116  82.5919      191.799    82.5919      31.7186     82.5919      
1 1 1 1  2  34 o 0 43.1   6.3   ?    ?   414.701  51.1508      72.3786    51.1508      134.535     -128.849     
1 1 1 1  2  35 o 0 12.1   5.7   ?    ?   172.558  -168.588     6.724      -168.588     74.4837     11.4117      
1 1 1 1  2  36 o 0 18.6   5.7   ?    ?   184.005  92.3605      53.2927    92.3605      30.1349     -87.6395     
1 1 1 1  2  37 o 0 55.1   6.8   ?    ?   160.566  126.337      200.469    126.337      126.111     126.337      
1 1 1 1  2  38 o 0 41     6.5   ?    ?   154.593  31.4655      198.461    31.4655      110.035     31.4655      
1 1 1 1  2  39 o 0 28.2   6.8   ?    ?   228.763  -108.731     112.306    -108.731     15.5523     71.2688      
1 1 1 1  2  40 o 0 90.1   11.5  ?    ?   296.879  75.0573      290.417    75.0573      132.262     75.0573      
1 1 1 1  2  41 o 0 11.8   7.7   ?    ?   233.909  -53.2506     16.0132    -53.2506     101.967     126.749      
1 1 1 1  2  42 o 0 22.9   9.3   ?    ?   153.721  -165.784     101.066    -165.784     26.4773     -165.784     
1 1 1 1  2  43 o 0 -1.1   7.1   ?    ?   81.087   42.9515      17.2835    42.9515      15.5089     -137.049     
1 1 1 1  3  1  < 0 -0.2   0.2   ?    ?   ?        ?            251.91     95.7852      ?           ?            
1 1 1 1  3  2  < 0 -0.1   0.2   ?    ?   ?        ?            324.455    -36.8483     ?           ?            
1 1 1 1  3  3  o 0 504.5  41.2  ?    ?   956.196  68.4576      713.651    68.4576      18.034      68.4576      
1 1 1 1  3  5  o 0 92.6   6     ?    ?   558.036  -72.7195     166.083    -72.7195     241.043     107.281      
1 1 1 1  3  6  o 0 191.3  13.3  ?    ?   702.235  -111.211     345.728    -111.211     173.529     68.7887      
1 1 1 1  3  7  o 0 948.5  70.6  ?    ?   839.635  -48.2689     1346.51    -48.2689     724.035     -48.2689     
1 1 1 1  3  8  o 0 235.2  17.6  ?    ?   675.355  17.2172      454.84     17.2172      37.1635     -162.783     
1 1 1 1  3  10 o 0 730.4  47.2  ?    ?   1258.43  -48.1626     736.556    -48.1626     115.158     131.837      
1 1 1 1  3  12 o 0 339.2  25.4  ?    ?   805.1    115.116      519.803    115.116      21.8142     -64.8844     
1 1 1 1  3  13 o 0 49.1   4.3   ?    ?   179.485  -29.1575     148.923    -29.1575     21.4391     -29.1575     
1 1 1 1  3  14 o 0 505.5  37.8  ?    ?   978.707  64.9991      676.56     64.9991      14.5684     -115.001     
1 1 1 1  3  15 o 0 177.1  11.7  ?    ?   904.684  -34.1851     160.877    -34.1851     473.639     145.815      
1 1 1 1  3  16 o 0 91.5   6.2   ?    ?   625.855  -160.026     134.114    -160.026     324.038     19.9741      
1 1 1 1  3  18 o 0 320.5  26.4  ?    ?   570.602  64.466       702.718    64.466       292.591     64.466       
1 1 1 1  3  19 o 0 16.5   2.6   ?    ?   207.768  -58.9929     16.5669    121.007      164.349     121.007      
1 1 1 1  3  20 o 0 362.4  29.9  ?    ?   534.463  -64.7785     739.34     -64.7785     382.535     -64.7785     
1 1 1 1  3  21 f 1 59.1   4.5   ?    ?   346.264  169.569      161.525    169.569      66.2659     -10.4308     
1 1 1 1  3  22 o 0 39     4.2   ?    ?   340.892  -9.62423     74.803     -9.62423     147.145     170.376      
1 1 1 1  3  23 o 0 1183.5 88.4  ?    ?   1253.5   -120.25      1137.98    -120.25      324.41      -120.25      
1 1 1 1  3  24 o 0 404.1  30.5  ?    ?   859.557  -85.8478     566.732    -85.8478     16.8692     -85.8478     
1 1 1 1  3  25 o 0 164.1  12    ?    ?   540.349  -81.6819     314.041    -81.682      1.65673     98.318       
1 1 1 1  3  26 o 0 14.1   3.6   ?    ?   316.736  -151.463     60.2992    28.5368      242.971     28.5368      
1 1 1 1  3  27 o 0 186.9  12.8  ?    ?   226.252  157.328      473.474    157.328      345.155     157.328      
1 1 1 1  3  28 o 0 62.8   6.6   ?    ?   438.869  -48.5993     106.372    -48.5993     137.691     131.401      
1 1 1 1  3  29 o 0 426.9  32.4  ?    ?   720.583  124.459      578.437    124.459      180.401     124.459      
1 1 1 1  3  30 o 0 147.3  11.6  ?    ?   485.378  8.769        300.037    8.769        20.3238     8.769        
1 1 1 1  3  31 o 0 612.5  42.8  ?    ?   1099.28  127.968      578.346    127.968      49.2332     -52.0316     
1 1 1 1  3  32 f 1 131.2  13    ?    ?   601.582  40.9532      205.614    40.9532      123.287     -139.047     
1 1 1 1  3  33 o 0 233.2  18.8  ?    ?   526.446  29.8284      418.024    29.8284      135.475     29.8284      
1 1 1 1  3  34 f 1 16.2   6.1   ?    ?   131.916  92.0851      24.9579    92.0851      40.449      -87.9149     
1 1 1 1  3  35 o 0 74.9   7.5   ?    ?   446.033  45.1882      161.891    45.1882      47.2705     -134.812     
1 1 1 1  3  36 o 0 275.2  18.8  ?    ?   754.355  51.0559      380.5      51.0559      39.6475     51.0559      
1 1 1 1  3  37 o 0 121.5  10.6  ?    ?   203.172  -29.9326     346.814    -29.9326     253.036     -29.9326     
1 1 1 1  3  38 o 0 73.8   8.4   ?    ?   321.659  -164.983     243.052    -164.983     59.6479     -164.983     
1 1 1 1  3  39 o 0 19.6   7.1   ?    ?   131.244  142.149      89.1       142.149      15.9699     142.149      
1 1 1 1  3  40 o 0 46.6   6.7   ?    ?   183.179  17.8989      209.695    17.8989      112.397     17.8989      
1 1 1 1  3  41 o 0 34.8   7.5   ?    ?   222.704  151.835      145.02     151.835      33.0083     151.835      
1 1 1 1  3  42 o 0 27     8.5   ?    ?   203.158  125.978      109.075    125.978      10.7664     125.978      
1 1 1 1  3  43 o 0 2.5    9.1   ?    ?   114.34   -143.196     34.9876    -143.196     11.1315     36.804       
1 1 1 1  4  0  f 1 3.7    0.6   ?    ?   45.29    -90          3.64247    -90          31.229      90           
1 1 1 1  4  2  o 0 375.6  26    ?    ?   432.041  59.9701      886.291    59.9701      565.527     59.9701      
1 1 1 1  4  5  o 0 112.1  7.8   ?    ?   599.188  137.999      203.692    137.999      238.317     -42.0015     
1 1 1 1  4  6  o 0 1256   86.5  ?    ?   1094.23  -53.0918     1456.27    -53.0918     649.174     -53.0918     
1 1 1 1  4  7  o 0 882.1  65.7  ?    ?   1189.86  -132.334     1001.31    -132.334     139.929     -132.334     
1 1 1 1  4  8  o 0 535.8  40    ?    ?   1272.1   110.664      531.715    110.664      389.135     -69.3356     
1 1 1 1  4  9  o 0 56.9   5.4   ?    ?   311.965  -156.101     166.659    -156.101     58.9875     23.8995      
1 1 1 1  4  10 o 0 1403.6 104.5 ?    ?   1640.72  143.754      1077.62    143.754      24.1309     -36.2458     
1 1 1 1  4  11 o 0 916.3  63.4  ?    ?   1044.34  89.6481      1055.52    89.6481      356.117     89.6481      
1 1 1 1  4  12 o 0 58     4.2   ?    ?   317.395  3.72525      165.764    3.72525      58.8934     -176.275     
1 1 1 1  4  14 o 0 137    9.7   ?    ?   432.712  -57.1315     362.134    -57.1315     59.0219     -57.1315     
1 1 1 1  4  15 o 0 1762.3 121.6 ?    ?   1771.56  -33.6943     1271.29    -33.6943     38.5603     -33.6943     
1 1 1 1  4  16 o 0 362.1  25.2  ?    ?   765.129  -71.6658     654.302    -71.6658     98.4992     -71.6658     
1 1 1 1  4  17 o 0 33.5   3.4   ?    ?   271.386  126.256      77.1565    126.256      118.314     -53.7436     
1 1 1 1  4  18 o 0 317.5  23.9  ?    ?   805.026  -101.587     538.908    -101.587     35.5103     78.4125      
1 1 1 1  4  19 o 0 567.6  42.5  ?    ?   789.149  46.0288      921.445    46.0288      364.096     46.0288      
1 1 1 1  4  20 o 0 1146.3 74.1  ?    ?   1540.15  77.3222      962.209    77.3222      58.9617     -102.678     
1 1 1 1  4  21 o 0 193.5  12.8  ?    ?   656.092  -118.638     356.022    -118.638     73.8388     61.3619      
1 1 1 1  4  22 o 0 194.3  13.8  ?    ?   462.104  16.4798      465.003    16.4798      166.066     16.4798      
1 1 1 1  4  23 f 1 438    33    ?    ?   727.073  167.208      700.599    167.208      232.835     167.208      
1 1 1 1  4  24 o 0 411.5  31.1  ?    ?   956.481  -135.407     476.959    -135.407     87.0384     44.5932      
1 1 1 1  4  25 o 0 136    10.2  ?    ?   432.226  36.317       306.54     36.317       55.4837     36.317       
1 1 1 1  4  26 o 0 160.1  11.8  ?    ?   470.016  99.1025      333.637    99.1025      64.093      99.1025      
1 1 1 1  4  27 f 1 188.6  14.9  ?    ?   275.14   -124.263     462.414    -124.263     307.62      -124.263     
1 1 1 1  4  28 o 0 81.7   8.4   ?    ?   269.252  -131.13      225.924    -131.13      76.9812     -131.13      
1 1 1 1  4  29 o 0 126    12    ?    ?   541.766  -153.372     214.456    -153.372     83.2688     26.6282      
1 1 1 1  4  30 o 0 175.1  12.5  ?    ?   525.177  13.6236      333.456    13.6236      32.3137     13.6236      
1 1 1 1  4  31 f 1 288.5  19.5  ?    ?   457.611  -129.87      545.91     -129.87      286.589     -129.87      
1 1 1 1  4  32 o 0 109.6  10.3  ?    ?   426.945  104.241      243.388    104.241      10.4588     104.241      
1 1 1 1  4  33 o 0 79.5   9.9   ?    ?   503.527  -25.5269     127.698    -25.5269     141.322     154.473      
1 1 1 1  4  34 o 0 62.6   8.9   ?    ?   185.448  -120.491     209.823    -120.491     118.042     -120.491     
1 1 1 1  4  35 o 0 6.2    6     ?    ?   148.879  28.6307      19.667     -151.369     89.1837     -151.369     
1 1 1 1  4  36 o 0 374.6  26.7  ?    ?   710.787  6.61128      515.563    6.61128      195.728     6.61128      
1 1 1 1  4  37 o 0 161.4  13.9  ?    ?   634.218  -98.333      300.142    -98.333      61.6869     81.667       
1 1 1 1  4  38 f 1 15.7   6.2   ?    ?   155.1    -113.172     59.4766    -113.172     28.3867     66.8281      
1 1 1 1  4  39 o 0 7.7    6.8   ?    ?   123.535  51.7716      14.7054    51.7716      53.8682     -128.228     
1 1 1 1  4  40 f 1 67.3   7.7   ?    ?   283.125  -46.2725     235.349    -46.2725     85.9036     -46.2725     
1 1 1 1  4  41 o 0 105    9.5   ?    ?   419.105  22.2431      268.49     22.2431      58.451      22.2431      
1 1 1 1  4  42 o 0 5.3    7.8   ?    ?   213.661  140.735      3.4791     140.735      93.7553     -39.2654     
1 1 1 1  4  43 o 0 9      7.9   ?    ?   76.97    45.0977      54.8569    45.0977      23.9158     45.0977      
1 1 1 1  5  0  o 0 5.3    0.7   ?    ?   433.193  90           44.4806    90           290.468     -90          
1 1 1 1  5  2  f 1 543.5  37.6  ?    ?   670.511  6.21506      995.547    6.21506      494.77      6.21506      
1 1 1 1  5  3  o 0 292.2  20.2  ?    ?   867.846  -129.022     447.552    -129.022     201.857     50.9778      
1 1 1 1  5  4  f 1 49.9   3.5   ?    ?   440.147  -95.7557     74.5724    -95.7557     251.575     84.2443      
1 1 1 1  5  5  f 1 156.2  10.8  ?    ?   709.497  112.479      255.272    112.479      268.087     -67.5209     
1 1 1 1  5  6  o 0 1040.5 77.4  ?    ?   1481.32  64.8084      953.384    64.8084      118.539     -115.192     
1 1 1 1  5  7  o 0 1483.7 120.9 ?    ?   1477.13  97.9952      1334.47    97.9952      267.704     97.9952      
1 1 1 1  5  8  o 0 174    13.1  ?    ?   658.743  -142.301     325.174    -142.301     149.71      37.6991      
1 1 1 1  5  10 o 0 593.8  38.4  ?    ?   1008.09  81.316       734.184    81.316       61.4686     81.316       
1 1 1 1  5  11 o 0 2441.3 168.2 ?    ?   1887.05  11.5816      1576.99    11.5816      321.86      11.5816      
1 1 1 1  5  12 f 1 70.6   5.1   ?    ?   185.052  15.1191      235.927    15.1191      106.223     15.1191      
1 1 1 1  5  13 o 0 77.5   6.6   ?    ?   504.124  174.344      140.717    174.344      211.798     -5.65637     
1 1 1 1  5  14 o 0 134.1  11.2  ?    ?   424.112  -34.7356     355.953    -34.7356     61.1034     -34.7356     
1 1 1 1  5  15 o 0 1547.5 115.4 ?    ?   1433.96  110.15       1455.71    110.15       414.052     110.15       
1 1 1 1  5  16 o 0 82.9   6.5   ?    ?   611.815  -65.8885     111.036    -65.8885     330.054     114.111      
1 1 1 1  5  18 o 0 394.9  29.7  ?    ?   1031.42  -106.933     510.788    -106.933     219.767     73.0667      
1 1 1 1  5  19 o 0 21.9   2.3   ?    ?   235.065  -29.7276     12.855     -29.7276     142.877     150.272      
1 1 1 1  5  20 o 0 1121.2 72.5  ?    ?   1420.58  83.1607      1012.43    83.1607      77.2053     83.1607      
1 1 1 1  5  21 o 0 66.5   4.9   ?    ?   133.345  -96.6037     203.132    -96.6037     116.372     -96.6037     
1 1 1 1  5  22 o 0 60.7   4.7   ?    ?   281.731  110.484      187.383    110.484      6.36684     110.484      
1 1 1 1  5  23 f 1 497.6  37.4  ?    ?   823.125  119.175      715.681    119.175      189.633     119.175      
1 1 1 1  5  24 o 0 1206.1 90.1  ?    ?   1050.83  -111.351     1159.45    -111.351     543.828     -111.351     
1 1 1 1  5  25 o 0 23.1   3.8   ?    ?   58.5057  -3.7665      14.2295    -3.7665      19.6416     176.234      
1 1 1 1  5  26 o 0 37.7   4.6   ?    ?   244.276  -11.5262     83.0617    -11.5262     56.16       168.474      
1 1 1 1  5  27 o 0 732.7  55    ?    ?   1014.05  -53.7564     750.258    -53.7564     182.952     -53.7564     
1 1 1 1  5  28 o 0 1334.2 109.2 ?    ?   1781.26  -130.313     764.31     -130.313     215.242     49.6869      
1 1 1 1  5  29 o 0 99.1   8.5   ?    ?   314.202  81.5807      254.865    81.5807      83.1883     81.5807      
1 1 1 1  5  30 o 0 144.9  11.5  ?    ?   221.344  -152.757     399.239    -152.757     273.029     -152.757     
1 1 1 1  5  31 o 0 146.1  12.6  ?    ?   698.183  -100.4       177.556    -100.4       216.945     79.5996      
1 1 1 1  5  32 o 0 51.3   6.4   ?    ?   296.71   -37.3524     139.593    -37.3524     21.4196     142.648      
1 1 1 1  5  33 o 0 482.9  34.1  ?    ?   970.594  -17.0695     526.031    -17.0695     37.7234     -17.0695     
1 1 1 1  5  34 o 0 48.3   8.2   ?    ?   224.413  18.6692      156.466    18.6692      45.9657     18.6692      
1 1 1 1  5  35 o 0 90.7   9.6   ?    ?   535.433  -85.2808     160.43     -85.2808     88.3395     94.7192      
1 1 1 1  5  36 o 0 172.8  16    ?    ?   641.38   131.209      273.742    131.209      13.4616     -48.7913     
1 1 1 1  5  37 o 0 396.9  33.5  ?    ?   1162.88  143.446      369.544    143.446      290.748     -36.5544     
1 1 1 1  5  38 o 0 59.2   7.7   ?    ?   210.838  -43.6369     245.194    -43.6369     126.002     -43.6369     
1 1 1 1  5  39 o 0 28.4   6.6   ?    ?   158.978  -33.3501     137.061    -33.3501     49.2122     -33.3501     
1 1 1 1  5  40 o 0 62.5   7.5   ?    ?   296.493  -107.775     212.642    -107.775     56.4301     -107.775     
1 1 1 1  5  41 o 0 99.7   8.6   ?    ?   423.312  34.5756      257.38     34.5756      48.5404     34.5756      
1 1 1 1  5  42 o 0 33.9   7.8   ?    ?   263.047  -63.2782     129.907    -63.2782     10.7032     -63.2782     
1 1 1 1  5  43 o 0 14.4   7.3   ?    ?   122.001  89.0167      81.6515    89.0167      32.8108     89.0167      
1 1 1 1  6  0  o 0 0.1    0.6   ?    ?   248.248  -90          1.24957    -90          192.543     90           
1 1 1 1  6  1  o 0 136.5  9.5   ?    ?   205.441  14.1543      491.579    14.1543      333.471     14.1543      
1 1 1 1  6  2  o 0 1210.4 78    ?    ?   1036.22  171.485      1503.08    171.485      715.682     171.485      
1 1 1 1  6  3  o 0 504.6  34.8  ?    ?   1164.49  -140.398     587.597    -140.398     288.02      39.6022      
1 1 1 1  6  4  o 0 46.3   3.3   ?    ?   427.97   72.3875      62.6908    72.3875      250.506     -107.612     
1 1 1 1  6  5  o 0 223.7  20.5  ?    ?   795.541  -63.6322     347.223    -63.6322     231.39      116.368      
1 1 1 1  6  6  o 0 1461.7 133.2 ?    ?   1901.01  74.6961      1007.73    74.6961      368.451     -105.304     
1 1 1 1  6  7  o 0 372.6  30.5  ?    ?   635.093  58.6263      726.788    58.6263      268.755     58.6263      
1 1 1 1  6  8  o 0 480.7  31.1  ?    ?   1316.23  -69.507      392.183    -69.507      487.662     110.493      
1 1 1 1  6  10 o 0 646.1  41.8  ?    ?   1128.68  -14.9651     713.263    -14.9651     36.0532     165.035      
1 1 1 1  6  11 o 0 785.1  54.3  ?    ?   1617.51  -58.2442     572.951    -58.2442     561.627     121.756      
1 1 1 1  6  12 o 0 380.8  31.2  ?    ?   1017.45  -65.7424     461.969    -65.7424     248.41      114.258      
1 1 1 1  6  13 o 0 62.8   5.4   ?    ?   467.295  168.997      106.971    168.997      217.561     -11.0031     
1 1 1 1  6  14 o 0 269    20.3  ?    ?   649.998  -48.686      509.517    -48.686      60.8305     -48.686      
1 1 1 1  6  15 o 0 223.7  15.7  ?    ?   666.564  -19.2112     454.126    -19.2112     26.567      160.789      
1 1 1 1  6  16 o 0 166.9  13.9  ?    ?   511.912  103.531      418.796    103.531      52.4455     103.531      
1 1 1 1  6  17 o 0 62.5   5.1   ?    ?   364.158  -55.1247     178.427    -55.1247     79.987      124.875      
1 1 1 1  6  18 o 0 107.5  7.8   ?    ?   624.158  64.0589      180.857    64.059       257.97      -115.941     
1 1 1 1  6  19 o 0 67.4   4.9   ?    ?   231.892  -162.651     229.906    -162.651     76.6957     -162.651     
1 1 1 1  6  20 o 0 723.4  46.9  ?    ?   1258.87  -116.799     731.571    -116.799     91.1556     63.2014      
1 1 1 1  6  21 o 0 181.1  12.9  ?    ?   294.201  73.9779      517.187    73.9779      327.148     73.9779      
1 1 1 1  6  22 o 0 169.1  11.4  ?    ?   320.388  179.272      471.375    179.272      264.811     179.272      
1 1 1 1  6  23 o 0 406.9  28.4  ?    ?   1068.33  -64.2336     439.918    -64.2336     239.801     115.766      
1 1 1 1  6  24 o 0 554.7  41.8  ?    ?   895.084  41.3055      671.916    41.3055      151.16      41.3055      
1 1 1 1  6  25 o 0 43.9   5.2   ?    ?   209.291  148.847      113.069    148.847      7.2748      -31.153      
1 1 1 1  6  26 o 0 106.5  9.9   ?    ?   602.351  -74.6209     145.945    -74.6209     195.066     105.379      
1 1 1 1  6  27 f 1 626.3  47.1  ?    ?   1013.29  20.7903      648.77     20.7903      87.0543     20.7903      
1 1 1 1  6  28 f 1 388    27.4  ?    ?   490.133  -38.6256     651.279    -38.6256     384.167     -38.6256     
1 1 1 1  6  30 o 0 173.8  12.4  ?    ?   492.531  123.039      343.791    123.039      61.8097     123.039      
1 1 1 1  6  31 o 0 72.6   7.4   ?    ?   575.756  170.388      67.3214    170.388      256.024     -9.61195     
1 1 1 1  6  32 o 0 353.9  25.3  ?    ?   893.51   143.855      399.551    143.855      82.4266     -36.1453     
1 1 1 1  6  33 o 0 295.9  23.2  ?    ?   804.707  -172.504     384.342    -172.504     18.1363     7.49577      
1 1 1 1  6  34 o 0 53.2   7.7   ?    ?   355.6    -6.10722     136.877    -6.10722     31.0799     173.893      
1 1 1 1  6  35 o 0 65.3   8.9   ?    ?   255.351  155.908      209.245    155.908      92.9105     155.908      
1 1 1 1  6  36 o 0 82     11.2  ?    ?   400.328  67.1153      193.578    67.1153      15.3081     67.1153      
1 1 1 1  6  37 o 0 43.2   8     ?    ?   327.123  29.407       133.193    29.407       51.5405     -150.593     
1 1 1 1  6  38 o 0 5.8    5.9   ?    ?   65.247   -166.368     2.86451    -166.368     33.8247     13.6316      
1 1 1 1  6  39 o 0 38.1   6.4   ?    ?   257.398  -151.483     148.121    -151.483     9.7069      -151.483     
1 1 1 1  6  40 f 1 30.6   6.7   ?    ?   148.511  -56.2111     154.997    -56.2111     79.4966     -56.2111     
1 1 1 1  6  41 o 0 17.8   5.6   ?    ?   250.714  -165.834     52.9155    -165.834     70.1494     14.1664      
1 1 1 1  6  42 o 0 18.5   6.7   ?    ?   268.698  -82.4109     51.1655    -82.4109     69.9963     97.5891      
1 1 1 1  7  0  o 0 2.3    0.8   ?    ?   204.231  -90          8.94991    -90          147.13      90           
1 1 1 1  7  1  o 0 53.3   3.8   ?    ?   740.779  -28.0975     108.932    151.902      668.355     151.902      
1 1 1 1  7  2  o 0 577.6  43.1  ?    ?   526.354  -121.879     1134.38    -121.879     741.292     -121.879     
1 1 1 1  7  3  o 0 198.6  13.8  ?    ?   536.077  -30.598      473.988    -30.598      77.5766     -30.598      
1 1 1 1  7  5  o 0 108.2  10    ?    ?   554.441  -79.6054     217.698    -79.6054     186.03      100.395      
1 1 1 1  7  6  o 0 1088.7 88.8  ?    ?   1085.97  70.2467      1186.12    70.2467      455.017     70.2467      
1 1 1 1  7  7  f 1 430.2  27.8  ?    ?   621.114  -52.9688     770.572    -52.9688     355.592     -52.9688     
1 1 1 1  7  8  o 0 257.7  17.9  ?    ?   778.108  -101.642     394.527    -101.642     124.309     78.3584      
1 1 1 1  7  10 o 0 654    45.2  ?    ?   1042.21  -114.902     819.339    -114.902     88.6757     -114.902     
1 1 1 1  7  11 o 0 1310.8 90.5  ?    ?   1544.61  -157.539     1106.44    -157.539     28.7452     -157.539     
1 1 1 1  7  12 o 0 27.7   2.3   ?    ?   411.089  -99.7829     28.6862    80.2171      314.007     80.2171      
1 1 1 1  7  13 o 0 36.7   2.9   ?    ?   190.02   -22.3298     89.1012    -22.3298     42.0206     157.67       
1 1 1 1  7  14 o 0 220.2  18.2  ?    ?   759.77   -100.665     382.635    -100.665     165.304     79.335       
1 1 1 1  7  15 o 0 511    46.9  ?    ?   705.735  179.62       903.35     179.62       397.994     179.62       
1 1 1 1  7  16 o 0 106.3  10.1  ?    ?   284.76   169.538      368.897    169.538      166.583     169.538      
1 1 1 1  7  17 o 0 76.7   6.1   ?    ?   414.689  -70.0936     205.49     -70.0936     86.6152     109.906      
1 1 1 1  7  18 o 0 60.6   4.4   ?    ?   384.725  96.3446      148.974    96.3447      104.698     -83.6553     
1 1 1 1  7  19 o 0 445.2  29    ?    ?   791.517  -33.0123     693.583    -33.0123     174.543     -33.0123     
1 1 1 1  7  20 o 0 30.3   2.9   ?    ?   269.862  173.728      54.7019    173.728      120.344     -6.27218     
1 1 1 1  7  21 o 0 76.8   5.6   ?    ?   550.986  155.345      113.292    155.345      239.961     -24.6551     
1 1 1 1  7  22 o 0 42.9   3.9   ?    ?   164.805  54.3567      118.21     54.3567      12.7441     54.3567      
1 1 1 1  7  23 o 0 175.1  11.8  ?    ?   805.09   -157.62      193.701    -157.62      277.812     22.3798      
1 1 1 1  7  24 o 0 628.4  43.7  ?    ?   799.15   118.066      796.343    118.066      333.384     118.066      
1 1 1 1  7  25 o 0 398.3  36.9  ?    ?   925.108  -25.3809     457.519    -25.3809     70.5795     154.619      
1 1 1 1  7  26 o 0 6      5     ?    ?   84.4533  143.538      28.0213    -36.4618     75.3891     -36.4618     
1 1 1 1  7  27 o 0 8.8    5.2   ?    ?   134.379  79.5482      34.4637    -100.452     108.621     -100.452     
1 1 1 1  7  28 o 0 2084.4 134.6 ?    ?   1824.8   122.554      1150.34    122.554      148.832     122.554      
1 1 1 1  7  29 o 0 634    41.4  ?    ?   915.559  -103.779     717.378    -103.779     192.498     -103.779     
1 1 1 1  7  30 o 0 48.7   6.3   ?    ?   139.435  -8.39501     143.871    -8.39501     64.5834     -8.39501     
1 1 1 1  7  31 o 0 15.2   5.4   ?    ?   133.227  -52.8523     11.4924    -52.8523     61.3328     127.148      
1 1 1 1  7  32 o 0 681.4  44.5  ?    ?   921.895  76.044       720.985    76.044       226.97      76.044       
1 1 1 1  7  33 o 0 408.5  29    ?    ?   936.831  107.069      455.738    107.069      9.78177     -72.9308     
1 1 1 1  7  34 o 0 63.3   8.9   ?    ?   323.278  -125.725     178.085    -125.725     26.3703     -125.725     
1 1 1 1  7  35 o 0 71.6   10    ?    ?   216.501  -15.0316     235.442    -15.0316     137.428     -15.0316     
1 1 1 1  7  36 o 0 51.2   9.1   ?    ?   306.686  77.8484      142.638    77.8484      0.647745    77.8484      
1 1 1 1  7  37 o 0 157.5  12.5  ?    ?   499.073  -36.0382     357.225    -36.0382     71.4726     -36.0382     
1 1 1 1  7  38 o 0 44.2   7.2   ?    ?   224.144  159.331      184.635    159.331      59.0798     159.331      
1 1 1 1  7  39 o 0 10.2   6.1   ?    ?   152.016  150.301      29.6074    150.301      51.653      -29.6994     
1 1 1 1  7  40 o 0 76.9   10.8  ?    ?   267.004  -32.42       265.881    -32.42       130.586     -32.42       
1 1 1 1  7  41 o 0 156.5  11.7  ?    ?   615.765  -149.456     280.571    -149.456     19.9402     30.5442      
1 1 1 1  7  42 o 0 63.1   9.1   ?    ?   374.337  88.5486      198.013    88.5486      45.5761     88.5486      
1 1 1 1  8  0  o 0 5.9    1.7   ?    ?   302.954  90           33.8358    90           196.831     -90          
1 1 1 1  8  1  o 0 264.6  19.9  ?    ?   602.61   -19.6869     582.112    -19.6869     127.934     -19.6869     
1 1 1 1  8  2  f 1 176.8  12.4  ?    ?   526.554  -113.147     402.78     -113.147     38.2828     -113.147     
1 1 1 1  8  3  o 0 190    15.6  ?    ?   633.544  65.3604      361.645    65.3605      74.0297     -114.64      
1 1 1 1  8  4  o 0 82     6.8   ?    ?   715.036  7.5493       23.5853    7.5493       464.079     -172.451     
1 1 1 1  8  5  f 1 421.8  31.5  ?    ?   1067.07  134.34       480.294    134.34       240.284     -45.6597     
1 1 1 1  8  6  o 0 457.9  34.2  ?    ?   817.519  19.101       687.117    19.101       137.234     19.101       
1 1 1 1  8  7  o 0 1022.6 70.5  ?    ?   1174.98  -68.342      1067.35    -68.342      281.679     -68.342      
1 1 1 1  8  8  o 0 46.5   3.6   ?    ?   383.544  -151.262     84.4821    -151.262     186.095     28.7375      
1 1 1 1  8  10 f 1 721.9  46.6  ?    ?   1113.33  -23.7591     847.639    -23.7591     72.5261     -23.7591     
1 1 1 1  8  11 o 0 542.6  35.2  ?    ?   1252.03  146.862      530.927    146.862      338.184     -33.1381     
1 1 1 1  8  12 o 0 764.1  49.4  ?    ?   1407.24  142.577      680.674    142.577      290.467     -37.4227     
1 1 1 1  8  14 o 0 91.9   8.7   ?    ?   383.524  42.6789      279.216    42.6789      4.45356     42.6789      
1 1 1 1  8  15 o 0 485.2  44.6  ?    ?   685.02   97.2286      875.626    97.2286      388.513     97.2286      
1 1 1 1  8  16 o 0 18.7   3.1   ?    ?   252.12   137.476      13.0984    -42.5245     190.933     -42.5245     
1 1 1 1  8  17 o 0 39.3   3.6   ?    ?   222.7    9.55549      109.63     9.55549      37.4934     -170.445     
1 1 1 1  8  18 o 0 62.7   4.8   ?    ?   339.449  164.045      177.436    164.045      45.7284     -15.9546     
1 1 1 1  8  19 o 0 57.4   4.3   ?    ?   184.262  58.639       188.403    58.639       68.4949     58.639       
1 1 1 1  8  20 o 0 378.6  24.7  ?    ?   508.397  -137.231     755.144    -137.231     427.91      -137.231     
1 1 1 1  8  21 o 0 88     6.3   ?    ?   270.097  -103.53      278.965    -103.53      105.309     -103.53      
1 1 1 1  8  22 o 0 157.9  10.7  ?    ?   604.418  -73.8935     291.204    -73.8935     92.5956     106.107      
1 1 1 1  8  23 o 0 715.7  46.5  ?    ?   1100.47  44.6888      720.676    44.6888      81.1505     44.6888      
1 1 1 1  8  24 o 0 1678.2 137.1 ?    ?   1810.25  -152.301     1002.95    -152.301     37.6841     27.6993      
1 1 1 1  8  25 o 0 162.6  15.9  ?    ?   690.179  138.531      221.727    138.531      169.245     -41.4689     
1 1 1 1  8  26 o 0 100.8  10.7  ?    ?   382.518  100.76       236.2      100.76       23.287      100.76       
1 1 1 1  8  27 o 0 60.3   6.1   ?    ?   356.06   105.748      131.917    105.748      63.0927     -74.2516     
1 1 1 1  8  28 o 0 424.5  28    ?    ?   875.724  53.5192      487.704    53.5192      10.6749     53.5192      
1 1 1 1  8  29 o 0 460.9  30.3  ?    ?   925.631  -58.9472     520.201    -58.9472     11.9586     121.053      
1 1 1 1  8  30 o 0 79.2   7.6   ?    ?   310.956  -75.756      213.158    -75.756      37.6345     -75.756      
1 1 1 1  8  31 o 0 74.9   7.1   ?    ?   497.845  -14.5489     121.008    -14.5489     149.15      165.451      
1 1 1 1  8  32 o 0 140.8  10.6  ?    ?   646.086  -11.5113     216.249    -11.5113     109.122     168.489      
1 1 1 1  8  33 o 0 134    10.3  ?    ?   467.22   68.7637      279.918    68.7637      49.4012     68.7637      
1 1 1 1  8  34 o 0 73.4   8.4   ?    ?   390.237  150.825      178.842    150.825      3.00999     -29.1746     
1 1 1 1  8  35 o 0 42.8   7.9   ?    ?   187.291  -13.0248     153.671    -13.0248     69.47       -13.0248     
1 1 1 1  8  36 o 0 3.3    9.4   ?    ?   151.622  -74.5928     10.4922    105.407      97.0118     105.407      
1 1 1 1  8  37 o 0 69.1   8.1   ?    ?   323.855  -42.4702     226.876    -42.4702     42.7041     -42.4702     
1 1 1 1  8  38 o 0 40.6   6     ?    ?   171.85   -162.577     190.297    -162.577     94.6788     -162.577     
1 1 1 1  8  39 o 0 19.7   5.4   ?    ?   139.779  49.5439      100.067    49.5439      25.8421     49.5439      
1 1 1 1  8  40 o 0 7.2    7.4   ?    ?   201.266  150.118      2.78457    150.118      98.5327     -29.8821     
1 1 1 1  8  41 o 0 24.2   6.7   ?    ?   228.896  41.4668      103.807    41.4668      0.934922    -138.533     
1 1 1 1  8  42 o 0 49.3   10.9  ?    ?   363.328  70.5633      148.485    70.5633      1.4757      70.5633      
1 1 1 1  9  0  o 0 56.2   7.6   ?    ?   12.9461  90           14.5423    90           5.42084     90           
1 1 1 1  9  1  f 1 46.1   3.4   ?    ?   178.209  -178.255     133.052    -178.255     8.91584     -178.255     
1 1 1 1  9  2  o 0 1476.7 120.4 ?    ?   1066.32  115.479      1551.29    115.479      813.134     115.479      
1 1 1 1  9  4  o 0 31.6   3.1   ?    ?   323.764  102.185      33.1814    102.185      187.281     -77.8146     
1 1 1 1  9  5  o 0 109.6  8.3   ?    ?   386.688  49.3106      299.853    49.3106      38.4889     49.3106      
1 1 1 1  9  6  o 0 209.6  14.7  ?    ?   555.61   5.6309       468.081    5.6309       72.4309     5.6309       
1 1 1 1  9  7  o 0 367.5  23.8  ?    ?   988.661  -100.018     469.494    -100.018     230.017     79.9818      
1 1 1 1  9  8  f 1 58.6   4.2   ?    ?   164.137  132.977      183.267    132.977      68.1412     132.977      
1 1 1 1  9  10 f 1 348    22.6  ?    ?   918.133  133.637      477.318    133.637      158.987     -46.3628     
1 1 1 1  9  11 o 0 108.6  7.2   ?    ?   386.598  -164.755     303.256    -164.755     36.2837     -164.755     
1 1 1 1  9  12 o 0 333.6  21.7  ?    ?   765.142  -33.9753     601.927    -33.9753     49.6885     -33.9753     
1 1 1 1  9  13 o 0 33.6   3.2   ?    ?   191.397  78.6407      89.7757    78.6407      47.4276     -101.359     
1 1 1 1  9  14 o 0 151.8  12.6  ?    ?   628.442  -9.06751     304.372    -9.06751     142.862     170.932      
1 1 1 1  9  15 o 0 283.2  23.5  ?    ?   800.838  -108.016     473.111    -108.016     92.3763     71.9839      
1 1 1 1  9  16 o 0 21.7   2.6   ?    ?   182.656  21.1051      21.2011    21.1051      106.698     -158.895     
1 1 1 1  9  17 o 0 89.3   6.7   ?    ?   422.55   127.963      228.804    127.963      49.536      -52.0365     
1 1 1 1  9  18 o 0 261.1  19.8  ?    ?   663.567  -52.4383     480.454    -52.4383     47.5625     -52.4383     
1 1 1 1  9  19 o 0 476.6  33.1  ?    ?   531.425  107.711      880.265    107.711      537.152     107.711      
1 1 1 1  9  20 o 0 1627.8 112.3 ?    ?   1609.97  -127.813     1249.91    -127.813     221.873     -127.813     
1 1 1 1  9  21 o 0 235    16.6  ?    ?   769.285  -58.6754     351.081    -58.6754     139.558     121.325      
1 1 1 1  9  22 o 0 28     3.4   ?    ?   263.159  -103.628     36.0075    -103.628     117.705     76.3718      
1 1 1 1  9  23 o 0 7.1    2.9   ?    ?   186.834  118.128      64.4156    -61.8724     172.444     -61.8724     
1 1 1 1  9  24 o 0 679.9  51    ?    ?   1040.5   25.0721      700.211    25.0721      106.917     25.0721      
1 1 1 1  9  25 o 0 159.6  14    ?    ?   526.048  160.268      299.991    160.268      5.04379     160.268      
1 1 1 1  9  26 o 0 33.3   5.6   ?    ?   97.2216  -61.2859     53.9199    -61.2859     0.241938    -61.2859     
1 1 1 1  9  27 o 0 76.6   8.5   ?    ?   440.639  162.084      143.866    162.084      98.2891     -17.9156     
1 1 1 1  9  28 o 0 96.6   8.4   ?    ?   466.116  60.9984      192.436    60.9984      75.3598     -119.002     
1 1 1 1  9  29 o 0 104.8  8.3   ?    ?   503.053  66.5864      191.427    66.5864      95.4877     -113.414     
1 1 1 1  9  30 o 0 18.8   5     ?    ?   83.3999  -93.131      26.223     -93.131      19.5417     86.869       
1 1 1 1  9  31 o 0 198    14    ?    ?   560.844  -24.5036     346.594    -24.5036     44.6333     -24.5036     
1 1 1 1  9  32 o 0 172.3  12.5  ?    ?   599.986  -101.712     294.931    -101.712     4.8745      78.2877      
1 1 1 1  9  33 o 0 256.7  18.8  ?    ?   719.446  -131.178     376.779    -131.178     36.9629     -131.178     
1 1 1 1  9  34 o 0 74.2   8.2   ?    ?   297.343  -43.5171     220.154    -43.5171     84.5575     -43.5171     
1 1 1 1  9  35 o 0 25     7     ?    ?   118.964  -176.699     90.6629    -176.699     35.1342     -176.699     
1 1 1 1  9  36 o 0 72.6   8.3   ?    ?   480.276  -91.15       160.501    -91.15       111.501     88.85        
1 1 1 1  9  38 f 1 29.6   6.6   ?    ?   343.527  -44.607      70.0247    -44.607      115.105     135.393      
1 1 1 1  9  39 o 0 13.3   6.8   ?    ?   112.224  36.1501      57.7417    36.1501      0.216409    36.1501      
1 1 1 1  9  40 o 0 9.7    6.3   ?    ?   235.167  -56.8461     5.9946     -56.8461     110.202     123.154      
1 1 1 1  9  41 o 0 109.8  10.6  ?    ?   614.431  9.61576      197.306    9.61576      81.8434     -170.384     
1 1 1 1  9  42 o 0 60.3   11.5  ?    ?   360.844  120.709      182.893    120.709      37.9241     120.709      
1 1 1 1  10 0  f 1 17.9   2.5   ?    ?   358.513  -90          97.771     -90          152.655     90           
1 1 1 1  10 1  o 0 357.4  24.8  ?    ?   1045.36  37.0906      406.757    37.0906      319.655     -142.909     
1 1 1 1  10 2  f 1 155.3  12.9  ?    ?   539.989  -125.525     361.544    -125.525     32.3527     54.4754      
1 1 1 1  10 3  o 0 207.8  22.1  ?    ?   376.994  -144.36      577.898    -144.36      304.348     -144.36      
1 1 1 1  10 7  o 0 196.4  12.8  ?    ?   504.905  -67.6709     465.716    -67.6709     109.735     -67.6709     
1 1 1 1  10 8  o 0 52     3.8   ?    ?   140.374  5.00802      146.35     5.00802      48.0278     5.00802      
1 1 1 1  10 10 o 0 228.6  14.9  ?    ?   739.938  -156.108     419.577    -156.108     118.537     23.892       
1 1 1 1  10 11 o 0 368.9  24    ?    ?   720.527  171.182      693.306    171.182      172.792     171.182      
1 1 1 1  10 12 o 0 95.9   6.8   ?    ?   499.354  -29.0286     226.529    -29.0286     131.721     150.971      
1 1 1 1  10 14 o 0 330.7  27.2  ?    ?   786.922  -52.425      568.268    -52.425      12.0763     -52.425      
1 1 1 1  10 15 o 0 878.9  65.7  ?    ?   957.832  -146.604     1159.95    -146.604     488.46      -146.604     
1 1 1 1  10 16 o 0 1531.6 114.2 ?    ?   1828.42  141.904      1059.8     141.904      146.444     -38.0963     
1 1 1 1  10 17 o 0 11.8   2.3   ?    ?   253.879  110.09       59.9175    -69.9103     225.86      -69.9103     
1 1 1 1  10 18 o 0 360.9  25.3  ?    ?   908.766  115.034      491.136    115.034      97.0139     -64.9662     
1 1 1 1  10 19 o 0 191.6  12.9  ?    ?   506.869  -164.323     430.398    -164.323     105.79      -164.323     
1 1 1 1  10 20 o 0 811.6  56.1  ?    ?   929.58   -52.2823     996.701    -52.2823     401.747     -52.2823     
1 1 1 1  10 21 o 0 176    12.6  ?    ?   416.433  80.4553      400.828    80.4553      156.583     80.4553      
1 1 1 1  10 22 o 0 9      2.8   ?    ?   187.081  144.914      51.8227    -35.0865     160.178     -35.0865     
1 1 1 1  10 23 o 0 1088.7 81.3  ?    ?   1182.32  -157.837     969.24     -157.837     291.409     -157.837     
1 1 1 1  10 24 o 0 563.4  46.5  ?    ?   959.579  29.3958      620.974    29.3958      78.4739     29.3958      
1 1 1 1  10 25 o 0 295    27.6  ?    ?   818.569  -47.6562     368.341    -47.6562     86.708      132.344      
1 1 1 1  10 26 o 0 40.7   5.5   ?    ?   108.622  -154.095     80.9011    -154.095     21.4403     -154.095     
1 1 1 1  10 27 f 1 68.7   8     ?    ?   301.849  -170.517     177.963    -170.517     13.9166     -170.517     
1 1 1 1  10 28 o 0 82.7   8.2   ?    ?   291.359  -152.449     234.809    -152.449     67.1245     -152.449     
1 1 1 1  10 29 o 0 278.5  21.7  ?    ?   714.923  37.6934      392.989    37.6934      11.31       -142.307     
1 1 1 1  10 30 f 1 22.5   5.3   ?    ?   90.669   45.1687      41.216     45.1687      7.99081     -134.831     
1 1 1 1  10 31 o 0 32.1   5.9   ?    ?   408.331  -16.4972     33.1345    -16.4972     173.221     163.503      
1 1 1 1  10 32 f 1 13.5   5.5   ?    ?   215.108  116.661      0.158195   -63.3393     106.473     -63.3393     
1 1 1 1  10 33 o 0 437.5  33.4  ?    ?   861.664  -128.073     522.144    -128.073     118.535     -128.073     
1 1 1 1  10 34 o 0 29.5   6.8   ?    ?   192.449  -35.0621     103.212    -35.0621     16.1738     -35.0621     
1 1 1 1  10 35 o 0 29.9   6     ?    ?   245.481  84.2204      114.324    84.2204      26.7103     -95.7796     
1 1 1 1  10 36 o 0 5.5    5.9   ?    ?   162.151  50.5479      12.6263    -129.452     105.545     -129.452     
1 1 1 1  10 37 o 0 244.7  21.3  ?    ?   833.456  -171.388     315.342    -171.388     152.331     8.61188      
1 1 1 1  10 38 o 0 27.1   8.3   ?    ?   77.5385  -116.84      129.454    -116.84      87.8966     -116.84      
1 1 1 1  10 39 o 0 54.3   8.2   ?    ?   244.798  -131.326     210.591    -131.326     86.1096     -131.326     
1 1 1 1  10 40 o 0 -3.8   6.2   ?    ?   104.841  -30.4965     14.8273    149.503      66.22       149.503      
1 1 1 1  10 41 o 0 6.6    6.1   ?    ?   153.76   14.69        33.8788    14.69        29.0697     -165.31      
1 1 1 1  11 0  f 1 25.7   4.1   ?    ?   116.085  90           59.1781    90           26.2329     -90          
1 1 1 1  11 1  o 0 97.1   9.1   ?    ?   424.828  109.004      263.073    109.004      48.1491     -70.9956     
1 1 1 1  11 2  o 0 473.7  38.9  ?    ?   553.323  -105.582     939.65     -105.582     537.197     -105.582     
1 1 1 1  11 3  o 0 174    12.2  ?    ?   706.978  117.084      293.174    117.084      217.302     -62.9162     
1 1 1 1  11 5  o 0 67.7   4.9   ?    ?   249.87   124.379      226.902    124.379      49.069      124.379      
1 1 1 1  11 6  o 0 104.9  8     ?    ?   354.193  63.2798      315.297    63.2798      64.9857     63.2798      
1 1 1 1  11 7  o 0 65.8   5.1   ?    ?   358.917  -27.6887     177.446    -27.6887     74.4537     152.311      
1 1 1 1  11 8  o 0 90     6.9   ?    ?   454.809  -152.065     238.599    -152.065     94.8711     27.9351      
1 1 1 1  11 10 o 0 402.7  26.1  ?    ?   895.808  -96.3995     629.375    -96.3995     18.4542     83.6005      
1 1 1 1  11 11 o 0 627.8  40.7  ?    ?   1067.84  68.6039      822.994    68.6039      56.2077     68.6039      
1 1 1 1  11 12 o 0 180.7  13.6  ?    ?   464.36   107.249      480.319    107.249      149.31      107.249      
1 1 1 1  11 13 f 1 19.5   2.2   ?    ?   176.651  -6.87593     8.91203    -6.87593     115.729     173.124      
1 1 1 1  11 14 o 0 223.9  18.6  ?    ?   493.606  152.088      520.701    152.088      193.419     152.088      
1 1 1 1  11 15 o 0 393.9  27.5  ?    ?   883.995  -148.926     565.93     -148.926     17.9458     31.074       
1 1 1 1  11 16 o 0 651.2  45.1  ?    ?   951.627  70.2287      847.656    70.2287      224.73      70.2287      
1 1 1 1  11 17 o 0 76.8   5.9   ?    ?   468.868  24.6244      160.518    24.6244      143.488     -155.376     
1 1 1 1  11 18 o 0 268.1  18.9  ?    ?   753.1    63.1112      432.352    63.1112      51.0361     -116.889     
1 1 1 1  11 19 o 0 1184.4 82    ?    ?   1477.63  18.7786      987.789    18.7786      39.4756     18.7786      
1 1 1 1  11 20 o 0 827.9  57.4  ?    ?   1073.99  59.7251      848.537    59.7251      216.568     59.7251      
1 1 1 1  11 21 o 0 559.3  38.9  ?    ?   1022.63  147.835      605.698    147.835      11.1244     147.835      
1 1 1 1  11 22 o 0 6.1    3.1   ?    ?   265.838  9.60094      101.927    -170.399     255.011     -170.399     
1 1 1 1  11 23 o 0 136.6  10.9  ?    ?   833.13   -126.434     92.9497    -126.434     380.451     53.5655      
1 1 1 1  11 24 o 0 1252.6 102.4 ?    ?   1458.04  167.505      900.799    167.505      85.6186     167.505      
1 1 1 1  11 25 o 0 140.6  10.7  ?    ?   500.964  17.5698      269.376    17.5698      6.61469     -162.43      
1 1 1 1  11 26 o 0 42.8   5.6   ?    ?   86.8092  31.0503      82.9055    31.0503      35.2697     31.0503      
1 1 1 1  11 27 o 0 93.8   9.6   ?    ?   466.963  148.3        184.259    148.3        83.8202     -31.6997     
1 1 1 1  11 28 o 0 31.7   6.4   ?    ?   108.066  -116.333     70.3092    -116.333     8.67513     -116.333     
1 1 1 1  11 29 o 0 259.2  20.6  ?    ?   583.157  16.8424      439.198    16.8424      118.961     16.8424      
1 1 1 1  11 30 o 0 38.3   5.9   ?    ?   100.898  -121.085     102.337    -121.085     47.9309     -121.085     
1 1 1 1  11 31 o 0 185.5  14.1  ?    ?   529.221  83.0213      351.224    83.0213      86.1726     83.0213      
1 1 1 1  11 32 f 1 1.3    5.7   ?    ?   57.1764  -178.118     13.8144    1.88195      40.8342     1.88195      
1 1 1 1  11 33 o 0 178.2  16    ?    ?   664.523  -87.6133     279.656    -87.6133     24.5613     92.3867      
1 1 1 1  11 34 o 0 136.9  13    ?    ?   377.63   81.2634      316.088    81.2634      138.997     81.2634      
1 1 1 1  11 35 f 1 16.5   6     ?    ?   79.6225  -91.2231     47.5222    -91.2231     2.29761     -91.2231     
1 1 1 1  11 36 o 0 98.3   9.6   ?    ?   350.662  135.95       296.047    135.95       96.867      135.95       
1 1 1 1  11 37 o 0 23.2   6.7   ?    ?   179.89   -127.771     103.917    -127.771     3.85667     -127.771     
1 1 1 1  11 38 o 0 12.6   7.4   ?    ?   150.921  -164.829     48.9242    -164.829     29.0489     15.171       
1 1 1 1  11 39 o 0 10.1   6.7   ?    ?   132.897  -144.17      41.4255    -144.171     24.8124     35.8295      
1 1 1 1  11 40 f 1 -5.6   7.7   ?    ?   142.694  168.402      10.1888    -11.5981     75.4674     -11.5981     
1 1 1 1  11 41 o 0 16.1   8.6   ?    ?   215.349  150.001      61.842     150.001      25.5689     -29.9993     
1 1 1 1  12 0  o 0 2.3    3.5   ?    ?   55.9008  90           2.17569    90           38.729      -90          
1 1 1 1  12 1  o 0 28     2.8   ?    ?   379.15   -23.4838     11.834     156.516      287.562     156.516      
1 1 1 1  12 2  o 0 182.2  13.9  ?    ?   628.564  -81.4816     364.247    -81.4816     89.8762     98.5184      
1 1 1 1  12 3  o 0 370.3  24.1  ?    ?   1001.8   -122.214     469.957    -122.214     248.926     57.786       
1 1 1 1  12 5  o 0 86.7   5.8   ?    ?   461.774  -134.233     226.379    -134.233     117.378     45.767       
1 1 1 1  12 6  o 0 110    7.4   ?    ?   317.92   40.496       382.875    40.496       147.852     40.496       
1 1 1 1  12 7  o 0 76.4   5.5   ?    ?   425.811  131.839      206.562    131.839      106.028     -48.161      
1 1 1 1  12 8  o 0 52.3   4.5   ?    ?   310.063  130.788      162.82     130.788      63.2073     -49.2117     
1 1 1 1  12 10 f 1 225.9  15.8  ?    ?   773.627  90.3733      387.045    90.3733      167.465     -89.6267     
1 1 1 1  12 11 f 1 1008.6 75.2  ?    ?   1272.46  -17.1905     1091.96    -17.1905     186.638     -17.1905     
1 1 1 1  12 14 f 1 311.6  21.8  ?    ?   890.813  176.149      434.617    176.149      152.749     -3.8514      
1 1 1 1  12 15 o 0 255.4  18    ?    ?   884.653  20.8902      335.811    20.8902      243.885     -159.11      
1 1 1 1  12 16 o 0 787.1  54.5  ?    ?   1132.93  -10.1456     873.485    -10.1456     137.937     -10.1456     
1 1 1 1  12 17 o 0 34.3   3.7   ?    ?   145.581  -179.198     81.4543    -179.198     12.1447     0.802084     
1 1 1 1  12 18 o 0 125.9  9.3   ?    ?   470.443  6.84945      293.803    6.84945      8.73732     -173.151     
1 1 1 1  12 19 o 0 510.1  35.6  ?    ?   739.677  -33.2474     719.319    -33.2474     282.979     -33.2474     
1 1 1 1  12 20 o 0 654.7  42.6  ?    ?   931.653  -82.9709     758.791    -82.9709     215.493     -82.9709     
1 1 1 1  12 21 o 0 25.6   3.4   ?    ?   184.537  56.4133      35.5707    56.4133      71.0702     -123.587     
1 1 1 1  12 22 o 0 24.7   3.7   ?    ?   253.257  -23.5689     20.9065    -23.5689     123.588     156.431      
1 1 1 1  12 23 o 0 645.7  48.7  ?    ?   933.095  113.596      716.42     113.596      192.288     113.596      
1 1 1 1  12 24 o 0 977.2  63.5  ?    ?   1237.92  -157.506     826.95     -157.506     141.334     -157.506     
1 1 1 1  12 25 o 0 52     5.4   ?    ?   440.986  58.8743      69.541     58.8743      173.887     -121.126     
1 1 1 1  12 26 o 0 86.7   8.1   ?    ?   243.604  -33.7264     259.506    -33.7264     118.729     -33.7264     
1 1 1 1  12 27 o 0 304.8  22.3  ?    ?   655.985  113.458      469.861    113.458      92.9978     113.458      
1 1 1 1  12 28 o 0 439.8  36.8  ?    ?   886.108  64.7769      504.622    64.7769      4.06006     64.7769      
1 1 1 1  12 29 o 0 456.4  34.7  ?    ?   788.154  -94.5773     577.725    -94.5773     149.045     -94.5773     
1 1 1 1  12 30 o 0 36.1   6.3   ?    ?   253.04   -88.4391     108.455    -88.4391     19.4683     91.5609      
1 1 1 1  12 31 o 0 65     7.6   ?    ?   341.329  96.0073      180.406    96.0073      17.0511     96.0073      
1 1 1 1  12 32 o 0 11.5   5.6   ?    ?   116.149  -108.117     7.63553    -108.117     46.8703     71.8828      
1 1 1 1  12 33 o 0 64.2   9.2   ?    ?   400.18   46.088       151.962    46.088       29.5002     -133.912     
1 1 1 1  12 34 o 0 14.4   5.9   ?    ?   137.009  117.716      43.1652    117.716      35.8166     -62.2842     
1 1 1 1  12 35 o 0 45.5   6.9   ?    ?   249.184  -129.785     182.803    -129.785     39.4153     -129.785     
1 1 1 1  12 36 o 0 21.3   5.5   ?    ?   124.96   21.0441      108.201    21.0441      37.7357     21.0441      
1 1 1 1  12 37 o 0 1.7    6.4   ?    ?   69.4136  42.1605      1.41111    -137.84      38.8277     -137.84      
1 1 1 1  12 38 o 0 25.5   9.3   ?    ?   240.518  83.4563      86.9926    83.4563      36.111      -96.5437     
1 1 1 1  12 39 o 0 13.7   8.8   ?    ?   188.977  67.9255      44.9869    67.9255      48.327      -112.075     
1 1 1 1  12 40 o 0 -0.7   7.3   ?    ?   109.345  -113.154     5.45       -113.154     44.2378     66.8461      
1 1 1 1  13 0  o 0 6.6    4.2   ?    ?   165.235  90           17.5807    90           108.463     -90          
1 1 1 1  13 1  o 0 64.9   5.8   ?    ?   159.614  -39.1341     241.7      -39.1341     120.621     -39.1341     
1 1 1 1  13 2  o 0 331.4  23.1  ?    ?   674.529  -77.6231     687.794    -77.6231     179.177     -77.6231     
1 1 1 1  13 3  o 0 582.9  43.6  ?    ?   1241.09  -92.4339     667.078    -92.4339     262.839     87.5661      
1 1 1 1  13 6  o 0 99.9   7.3   ?    ?   167.081  -151.984     369.087    -151.984     246.396     -151.984     
1 1 1 1  13 7  o 0 137.8  9.2   ?    ?   502.09   6.27651      356.64     6.27651      9.4896      -173.723     
1 1 1 1  13 10 o 0 205.8  15.5  ?    ?   920.35   -176.297     239.637    -176.297     417.039     3.70295      
1 1 1 1  13 11 o 0 402.6  33.1  ?    ?   919.603  -126.773     565.759    -126.773     49.4806     53.2273      
1 1 1 1  13 12 o 0 61.5   5.4   ?    ?   409.124  -32.6973     141.59     -32.6973     131.226     147.303      
1 1 1 1  13 14 o 0 77.4   5.9   ?    ?   465.607  141.571      166.113    141.571      139.173     -38.4295     
1 1 1 1  13 15 o 0 144.8  10.5  ?    ?   468.061  134.533      352.623    134.533      48.4889     134.533      
1 1 1 1  13 16 f 1 2322.4 160   ?    ?   1863.96  -59.0226     1524.7     -59.0227     315.352     -59.0227     
1 1 1 1  13 17 o 0 4.5    2.1   ?    ?   176.047  -16.6792     83.7662    163.321      197.142     163.321      
1 1 1 1  13 18 o 0 235.1  16.7  ?    ?   731.07   -60.1051     346.695    -60.1051     85.3391     119.895      
1 1 1 1  13 19 o 0 912.3  63.3  ?    ?   1239.51  -155.821     820.942    -155.821     96.5179     -155.821     
1 1 1 1  13 20 o 0 14.9   3     ?    ?   168.081  49.9627      14.8308    -130.037     112.222     -130.037     
1 1 1 1  13 21 o 0 -0.1   2.8   ?    ?   120.661  166.308      61.0878    -13.6925     130.149     -13.6925     
1 1 1 1  13 22 o 0 16.1   3.6   ?    ?   106.329  -56.917      0.0755569  -56.917      59.8732     123.083      
1 1 1 1  13 23 o 0 625.6  40.9  ?    ?   959.044  128.943      678.857    128.943      145.42      128.943      
1 1 1 1  13 24 o 0 763.9  49.9  ?    ?   1181.56  -126.339     669.452    -126.339     14.0385     -126.339     
1 1 1 1  13 25 o 0 382.2  25.5  ?    ?   783.998  -19.2008     487.128    -19.2008     58.6552     -19.2008     
1 1 1 1  13 26 o 0 17.7   4.5   ?    ?   38.4265  -96.8049     7.75434    -96.8049     14.457      83.1951      
1 1 1 1  13 27 o 0 554.4  39.2  ?    ?   931.731  0.852739     610.501    0.852739     80.5953     0.852739     
1 1 1 1  13 28 o 0 555.6  42.8  ?    ?   780.216  41.2026      690.01     41.2026      262.483     41.2026      
1 1 1 1  13 29 o 0 165.6  14.8  ?    ?   331.769  176.737      409.076    176.737      239.987     176.737      
1 1 1 1  13 30 o 0 59.6   7.4   ?    ?   335.081  57.4495      159.673    57.4495      8.01359     -122.551     
1 1 1 1  13 31 o 0 4      6.1   ?    ?   177.148  92.7351      34.8017    -87.2649     118.725     -87.2649     
1 1 1 1  13 32 o 0 183.9  20.2  ?    ?   624.167  33.3881      303.65     33.3881      17.7237     33.3881      
1 1 1 1  13 33 o 0 49     6.8   ?    ?   394.773  17.5517      103.776    17.5517      81.609      -162.448     
1 1 1 1  13 34 o 0 35.9   5.8   ?    ?   354.017  -150.88      92.9008    -150.88      113.188     29.1196      
1 1 1 1  13 35 o 0 6.8    5.2   ?    ?   118.837  -16.8594     6.01792    -16.8594     61.8255     163.141      
1 1 1 1  13 36 o 0 4.3    6.4   ?    ?   133.01   119.196      0.129549   -60.804      72.7678     -60.804      
1 1 1 1  13 37 o 0 40.9   8.4   ?    ?   269.058  -140.923     153.528    -140.923     13.9093     -140.923     
1 1 1 1  13 38 o 0 79.7   9.5   ?    ?   302.664  22.0818      263.295    22.0818      111.665     22.0818      
1 1 1 1  13 39 o 0 6.8    8.6   ?    ?   171.503  -14.73       25.5261    -14.73       53.6001     165.27       
1 1 1 1  13 40 o 0 12.2   6.6   ?    ?   163.916  -62.3802     61.6505    -62.3802     5.32943     117.62       
1 1 1 1  14 0  o 0 1.9    2.9   ?    ?   58.5592  90           2.11346    90           42.1165     -90          
1 1 1 1  14 1  o 0 182.1  15.3  ?    ?   535.641  -151.717     462.877    -151.717     60.3427     -151.717     
1 1 1 1  14 2  o 0 87     7     ?    ?   399.773  45.6265      265.073    45.6265      33.6994     -134.374     
1 1 1 1  14 3  o 0 613.9  42.6  ?    ?   912.513  62.8252      943.182    62.8252      265.239     62.8252      
1 1 1 1  14 4  o 0 18.1   2.2   ?    ?   281.699  161.637      28.3583    -18.3634     236.341     -18.3634     
1 1 1 1  14 5  o 0 322.4  22.5  ?    ?   724.093  28.1473      619.88     28.1473      88.734      28.1473      
1 1 1 1  14 6  o 0 95.5   7     ?    ?   310.189  -152.75      333.278    -152.75      107.268     -152.75      
1 1 1 1  14 7  f 1 237.3  15.6  ?    ?   14.3593  -97.914      141.2      -97.914      130.836     -97.914      
1 1 1 1  14 9  o 0 23.3   2.3   ?    ?   254.505  30.6003      19.2444    30.6003      153.06      -149.4       
1 1 1 1  14 10 f 1 17.6   2     ?    ?   217.576  118.797      8.54079    -61.2026     154.358     -61.2026     
1 1 1 1  14 11 o 0 1412.1 115.2 ?    ?   1312.49  167.294      1317.71    167.294      442.703     167.294      
1 1 1 1  14 12 o 0 146.1  12.1  ?    ?   490.218  70.7497      349.076    70.7497      24.9061     70.7497      
1 1 1 1  14 13 o 0 12.9   1.7   ?    ?   78.8738  73.3623      9.83591    -106.638     61.5536     -106.638     
1 1 1 1  14 14 o 0 417.9  31.5  ?    ?   1138.88  47.2243      431.967    47.2243      308.22      -132.776     
1 1 1 1  14 15 o 0 2103.3 156.8 ?    ?   1772.35  -125.286     1448.16    -125.286     294.737     -125.286     
1 1 1 1  14 16 f 1 283.2  21.6  ?    ?   658.266  -114.859     507.929    -114.859     84.7721     -114.859     
1 1 1 1  14 17 o 0 20.5   2.8   ?    ?   284.471  137.146      10.1991    -42.8543     178.492     -42.8543     
1 1 1 1  14 18 o 0 32.6   3.6   ?    ?   217.96   171.996      66.4797    171.996      61.4817     -8.00397     
1 1 1 1  14 19 o 0 795.2  55.3  ?    ?   1143.03  159.984      763.921    159.984      100.383     159.984      
1 1 1 1  14 20 o 0 415    34.3  ?    ?   721.314  42.7756      592.586    42.7756      178.78      42.7756      
1 1 1 1  14 21 o 0 17.8   3.5   ?    ?   282.669  10.4451      21.6317    -169.555     181.447     -169.555     
1 1 1 1  14 22 o 0 53.4   5.7   ?    ?   271.721  -29.9948     139.361    -29.9948     12.2766     150.005      
1 1 1 1  14 23 f 1 630    41.2  ?    ?   935.799  18.9313      684.902    18.9313      165.149     18.9313      
1 1 1 1  14 24 o 0 191.1  13.4  ?    ?   412.374  -167.702     401.397    -167.702     175.027     -167.702     
1 1 1 1  14 25 o 0 74     6.6   ?    ?   344.588  -164.384     190.063    -164.384     10.1177     15.6161      
1 1 1 1  14 26 o 0 31.8   5     ?    ?   178.683  -143.799     82.6333    -143.799     19.5625     36.2015      
1 1 1 1  14 27 o 0 274.3  20.5  ?    ?   423.203  -44.6399     543.693    -44.6399     310.341     -44.6399     
1 1 1 1  14 28 o 0 243.7  18.4  ?    ?   401.838  18.458       498.943    18.458       281.091     18.458       
1 1 1 1  14 29 o 0 302.6  24.4  ?    ?   624.397  140.878      482.757    140.878      167.917     140.878      
1 1 1 1  14 30 o 0 25.7   7.1   ?    ?   209.905  115.249      79.0913    115.249      21.1711     -64.7506     
1 1 1 1  14 31 f 1 115.3  14.2  ?    ?   351.576  -168.396     296.707    -168.396     134.632     -168.396     
1 1 1 1  14 32 o 0 66.8   7     ?    ?   310.373  7.89903      194.622    7.89903      53.9632     7.89903      
1 1 1 1  14 33 o 0 232.5  16.8  ?    ?   597.061  -18.4124     459.919    -18.4124     115.683     -18.4124     
1 1 1 1  14 34 o 0 17.7   5.8   ?    ?   191.925  -123.718     65.2218    -123.718     45.312      56.2822      
1 1 1 1  14 35 o 0 55.7   7.8   ?    ?   338.727  3.34607      173.514    3.34607      17.7977     -176.654     
1 1 1 1  14 36 o 0 38.8   7.2   ?    ?   359.643  -64.2089     101.386    -64.2089     92.9243     115.791      
1 1 1 1  14 37 o 0 38.3   6.5   ?    ?   199.308  -144.9       173.922    -144.9       71.599      -144.9       
1 1 1 1  14 38 o 0 41.2   7.5   ?    ?   194.386  -127.358     183.931    -127.358     87.581      -127.358     
1 1 1 1  14 39 o 0 17     9.9   ?    ?   154.099  -138.886     86.6428    -138.886     22.7547     -138.886     
1 1 1 1  15 0  o 0 1.2    3.5   ?    ?   28.904   -90          0.990808   -90          20.6064     90           
1 1 1 1  15 1  o 0 10.1   2.5   ?    ?   372.997  -170.325     143.26     9.6748       420.689     9.6748       
1 1 1 1  15 2  o 0 173.5  13.4  ?    ?   485.154  137.1        467.913    137.1        108.903     137.1        
1 1 1 1  15 3  o 0 131    10.3  ?    ?   708.598  53.8982      203.196    53.8982      318.254     -126.102     
1 1 1 1  15 4  o 0 10.3   2.2   ?    ?   331.837  36.3546      111.251    -143.645     340.616     -143.645     
1 1 1 1  15 5  o 0 54     4.5   ?    ?   456.07   146.688      89.6193    146.688      223.645     -33.3122     
1 1 1 1  15 6  o 0 158.2  11.5  ?    ?   248.985  171.484      509.491    171.484      338.798     171.484      
1 1 1 1  15 7  o 0 135.8  9.8   ?    ?   578.867  -31.5674     279.939    -31.5674     114.202     148.433      
1 1 1 1  15 8  o 0 32.8   3.1   ?    ?   161.352  51.3024      81.3767    51.3024      27.708      -128.698     
1 1 1 1  15 10 o 0 367    27.7  ?    ?   949.605  98.1349      487.796    98.1349      144.631     -81.8651     
1 1 1 1  15 11 o 0 889.2  61.7  ?    ?   979.971  -41.6657     1089.79    -41.6657     442.311     -41.6657     
1 1 1 1  15 12 o 0 89.1   6.3   ?    ?   311.435  115.01       279.62     115.01       75.5473     115.01       
1 1 1 1  15 14 o 0 191.1  16.1  ?    ?   643.91   -20.128      347.038    -20.128      71.9159     159.872      
1 1 1 1  15 15 o 0 181.7  17    ?    ?   785.032  62.479       221.405    62.479       247.803     -117.521     
1 1 1 1  15 16 o 0 1034.7 94.8  ?    ?   1129.3   116.425      987.236    116.425      318.913     116.425      
1 1 1 1  15 17 o 0 83.7   7.2   ?    ?   380.751  -144.215     200.977    -144.215     22.7091     35.7853      
1 1 1 1  15 18 f 1 422    35.1  ?    ?   816.604  94.5278      558.151    94.5278      84.8232     94.5278      
1 1 1 1  15 19 o 0 327.7  27.3  ?    ?   919.038  -132.366     370.972    -132.366     157.036     47.6342      
1 1 1 1  15 20 o 0 351.8  26.9  ?    ?   672.485  -120.545     533.491    -120.545     152.557     -120.545     
1 1 1 1  15 21 o 0 178.6  15.8  ?    ?   632.552  15.0215      281.456    15.0215      72.3867     -164.979     
1 1 1 1  15 22 o 0 33.6   5.1   ?    ?   136.616  -32.8975     75.5176    -32.8975     0.775358    147.103      
1 1 1 1  15 23 o 0 223.5  15.5  ?    ?   560.345  130.19       385.598    130.19       76.9512     130.19       
1 1 1 1  15 24 o 0 193.6  14.6  ?    ?   575.044  -153.514     343.033    -153.514     7.65079     -153.514     
1 1 1 1  15 25 o 0 59.5   5.9   ?    ?   220.01   -79.6774     185.81     -79.6774     59.4068     -79.6774     
1 1 1 1  15 26 o 0 17     4.4   ?    ?   65.9362  -64.8826     16.8561    -64.8826     19.6874     115.117      
1 1 1 1  15 27 o 0 236.4  17.9  ?    ?   674.03   -108.055     354.755    -108.055     12.7633     71.9453      
1 1 1 1  15 28 o 0 71.2   7.6   ?    ?   393.905  72.8856      171.989    72.8856      27.8963     -107.114     
1 1 1 1  15 29 o 0 189.8  18.9  ?    ?   531.858  36.6742      363.135    36.6742      107.306     36.6742      
1 1 1 1  15 30 f 1 10.2   7.3   ?    ?   234.017  -167.64      15.7716    12.3598      126.009     12.3598      
1 1 1 1  15 31 o 0 135.4  13.7  ?    ?   382.386  -50.5272     321.698    -50.5272     146.958     -50.5272     
1 1 1 1  15 32 o 0 34.1   6.1   ?    ?   282.515  -99.8327     120.202    -99.8327     44.1503     80.1673      
1 1 1 1  15 33 o 0 114.6  11.3  ?    ?   445.512  166.947      293.606    166.947      34.5377     166.947      
1 1 1 1  15 34 o 0 11.2   6.2   ?    ?   133.975  -72.8        35.0322    -72.8        41.4223     107.2        
1 1 1 1  15 35 o 0 17.2   5.3   ?    ?   138.725  163.394      87.6827    163.394      11.9009     163.394      
1 1 1 1  15 36 o 0 -0.5   5.1   ?    ?   108.493  -26.4422     18.4729    153.558      74.8284     153.558      
1 1 1 1  15 37 o 0 86.9   8.8   ?    ?   375.122  2.35989      251.327    2.35989      63.0712     2.35989      
1 1 1 1  15 38 o 0 42.2   6.7   ?    ?   239.351  -151.721     177.897    -151.721     67.1965     -151.721     
1 1 1 1  15 39 o 0 -8     7.2   ?    ?   81.9971  -82.3474     3.42998    -82.3475     30.1828     97.6525      
1 1 1 1  16 0  o 0 65.7   8.2   ?    ?   419.323  -90          249.528    -90          44.451      90           
1 1 1 1  16 1  o 0 8.6    2.9   ?    ?   79.0265  -56.0046     26.1966    123.995      81.3688     123.995      
1 1 1 1  16 2  o 0 1611.2 111.4 ?    ?   1987.24  -161.78      1074.03    -161.78      306.802     18.2205      
1 1 1 1  16 3  o 0 370.2  28    ?    ?   813.94   43.5725      600.645    43.5725      38.0274     43.5725      
1 1 1 1  16 4  f 1 45.5   4     ?    ?   317.314  0.694002     121.105    0.694002     96.4329     -179.306     
1 1 1 1  16 5  o 0 17.6   2.7   ?    ?   143.648  -132.07      3.31169    -132.07      94.8268     47.9301      
1 1 1 1  16 6  o 0 32.1   3.5   ?    ?   335.933  66.7362      43.6035    66.7362      184.437     -113.264     
1 1 1 1  16 7  o 0 113.2  9.1   ?    ?   273.42   23.5448      375.215    23.5448      190.855     23.5448      
1 1 1 1  16 8  o 0 23.6   3.4   ?    ?   208.181  -63.846      30.4171    -63.846      108.968     116.154      
1 1 1 1  16 9  o 0 24.8   2.8   ?    ?   426.048  177.536      41.7407    -2.464       324.902     -2.464       
1 1 1 1  16 10 o 0 176.5  12.6  ?    ?   602.951  -128.38      353.735    -128.38      43.9289     51.6196      
1 1 1 1  16 11 o 0 531.9  34.7  ?    ?   637.315  -11.9277     897.761    -11.9277     476.36      -11.9277     
1 1 1 1  16 12 o 0 48.9   4.4   ?    ?   358.41   105.086      108.324    105.086      126.682     -74.9135     
1 1 1 1  16 13 o 0 41.9   3.9   ?    ?   236.315  109.84       116.029    109.84       37.5676     -70.1603     
1 1 1 1  16 14 o 0 95.1   7.5   ?    ?   375.084  151.893      240.06     151.893      16.045      151.893      
1 1 1 1  16 15 o 0 1478.9 102.4 ?    ?   1322.51  16.7441      1203.86    16.7441      419.161     16.7441      
1 1 1 1  16 16 f 1 71     6.8   ?    ?   384.597  -74.8188     161.649    -74.8188     63.6846     105.181      
1 1 1 1  16 17 o 0 28.4   3.8   ?    ?   250.692  -115.735     40.6511    -115.735     105.063     64.2649      
1 1 1 1  16 18 o 0 70.2   7.3   ?    ?   470.685  -78.5333     115.555    -78.5333     155.026     101.467      
1 1 1 1  16 19 o 0 110.1  10.8  ?    ?   271.611  36.6213      305.219    36.6213      151.207     36.6213      
1 1 1 1  16 20 o 0 251.4  24.1  ?    ?   746.883  107.324      344.393    107.324      74.0095     -72.676      
1 1 1 1  16 21 o 0 88.6   8.2   ?    ?   411.836  -130.67      192.639    -130.67      37.79       49.3303      
1 1 1 1  16 22 o 0 135.8  10.7  ?    ?   397.296  86.5774      324.649    86.5774      91.4196     86.5774      
1 1 1 1  16 23 o 0 188.3  14.2  ?    ?   347.315  -86.5349     450.368    -86.5349     247.211     -86.5349     
1 1 1 1  16 24 o 0 631.5  48    ?    ?   1014.6   -96.1176     648.112    -96.1176     63.1682     -96.1176     
1 1 1 1  16 25 f 1 197    15.1  ?    ?   521.414  169.383      377.088    169.383      87.6886     169.383      
1 1 1 1  16 26 o 0 23     5.1   ?    ?   172.743  7.90791      52.9212    7.90791      41.7022     -172.092     
1 1 1 1  16 27 o 0 101    9.1   ?    ?   446.074  118.833      226.652    118.833      0.885592    -61.1668     
1 1 1 1  16 28 o 0 83.4   10.2  ?    ?   462.259  126.13       181.26     126.13       42.3861     -53.8695     
1 1 1 1  16 29 f 1 183.1  18    ?    ?   733.554  -35.4512     256.243    -35.4512     91.5398     144.549      
1 1 1 1  16 30 o 0 78.2   13.2  ?    ?   292.918  -101.42      230.092    -101.42      95.2872     -101.42      
1 1 1 1  16 31 o 0 174.1  15.3  ?    ?   421.806  23.634       451.871    23.634       204.587     23.634       
1 1 1 1  16 32 o 0 11.6   6.2   ?    ?   115.515  83.5358      35.8326    83.5358      31.9047     -96.4642     
1 1 1 1  16 33 o 0 122    9.8   ?    ?   598.795  -158.1       225.24     -158.1       119.57      21.8997      
1 1 1 1  16 34 o 0 22.1   5.4   ?    ?   193.323  26.056       102.414    26.056       4.22329     -153.944     
1 1 1 1  16 35 o 0 6.4    5     ?    ?   51.9854  127.249      11.6024    127.249      15.6827     -52.7506     
1 1 1 1  16 36 o 0 3.7    5.7   ?    ?   124.652  -82.6677     4.20444    -82.6677     59.0483     97.3323      
1 1 1 1  16 37 o 0 -1.6   5.9   ?    ?   192.291  -13.8886     26.8146    166.111      116.801     166.111      
1 1 1 1  16 38 o 0 18     5.9   ?    ?   221.77   129.982      82.2715    129.982      9.77496     -50.0177     
1 1 1 1  17 0  o 0 59.4   8     ?    ?   274.131  -90          215.127    -90          25.3257     -90          
1 1 1 1  17 1  o 0 133.4  9.9   ?    ?   422.102  107.885      370.403    107.885      79.2666     107.885      
1 1 1 1  17 2  o 0 704.7  49.1  ?    ?   1041.08  -33.344      893.238    -33.344      178.33      -33.344      
1 1 1 1  17 3  o 0 114.1  8.6   ?    ?   625.924  -123.118     192.352    -123.118     235.359     56.8825      
1 1 1 1  17 4  o 0 97     8.8   ?    ?   363.737  165.368      291.099    165.368      43.8851     165.368      
1 1 1 1  17 5  o 0 331.9  25.3  ?    ?   778.643  -28.0902     549.521    -28.0902     23.391      -28.0902     
1 1 1 1  17 6  o 0 302.7  23.1  ?    ?   1061.97  -100.105     314.328    -100.104     398.787     79.8955      
1 1 1 1  17 7  o 0 1910   156   ?    ?   1417.49  177.353      1612.51    177.353      666.933     177.353      
1 1 1 1  17 8  o 0 109.5  10.9  ?    ?   194.823  156.098      366.883    156.098      236.452     156.098      
1 1 1 1  17 9  o 0 34.3   4.3   ?    ?   354.135  -57.7963     42.5975    -57.7963     192.757     122.204      
1 1 1 1  17 10 o 0 268.1  19.1  ?    ?   936.578  -98.2182     318.617    -98.2182     299.046     81.7818      
1 1 1 1  17 11 o 0 914.7  63.6  ?    ?   1123.22  42.901       923.621    42.901       242.215     42.901       
1 1 1 1  17 12 o 0 134.4  10.1  ?    ?   571.862  4.48466      241.397    4.48466      102.602     -175.515     
1 1 1 1  17 13 o 0 5.1    2.3   ?    ?   180.639  17.6536      76.1412    -162.346     184.174     -162.346     
1 1 1 1  17 14 o 0 56.7   5.2   ?    ?   468.454  143.709      75.6107    143.709      201.964     -36.2914     
1 1 1 1  17 15 o 0 381.3  27.1  ?    ?   764.278  -100.871     540.366    -100.871     91.8878     -100.871     
1 1 1 1  17 16 o 0 121.4  9.6   ?    ?   550.096  -5.65336     213.147    -5.65336     106.378     174.347      
1 1 1 1  17 17 o 0 35.4   4.1   ?    ?   79.7835  -72.3123     54.0211    -72.3123     8.26933     -72.3123     
1 1 1 1  17 18 o 0 119.2  11.6  ?    ?   437.991  -61.061      259.923    -61.061      11.5488     -61.061      
1 1 1 1  17 19 f 1 95.9   10.1  ?    ?   543.435  -87.5722     150.575    -87.5722     153.227     92.4278      
1 1 1 1  17 20 o 0 21.4   3.9   ?    ?   396.347  -35.5589     38.8148    144.441      260.788     144.441      
1 1 1 1  17 21 o 0 32.2   4.8   ?    ?   280.637  98.2998      60.636     98.2998      104.343     -81.7002     
1 1 1 1  17 22 o 0 -0.8   4.7   ?    ?   81.1551  60.2762      37         -119.724     84.561      -119.724     
1 1 1 1  17 23 o 0 104.1  9.7   ?    ?   640.079  -54.1241     119.01     -54.1241     250.905     125.876      
1 1 1 1  17 24 o 0 99.4   9.4   ?    ?   458.157  90.8317      209.091    90.8317      46.6069     -89.1683     
1 1 1 1  17 25 o 0 53.9   6.5   ?    ?   334.797  117.495      134.659    117.495      49.3751     -62.5051     
1 1 1 1  17 26 o 0 8.8    4.5   ?    ?   230.963  -164.18      36.1548    15.8201      154.446     15.8201      
1 1 1 1  17 27 o 0 209.3  18.3  ?    ?   713.443  110.186      316.834    110.186      29.9454     -69.8138     
1 1 1 1  17 28 o 0 105.1  10.6  ?    ?   370.673  -74.0219     268.673    -74.0219     91.5544     -74.0219     
1 1 1 1  17 29 o 0 56.4   10.2  ?    ?   351.941  -99.4931     150.342    -99.4931     12.5781     80.5069      
1 1 1 1  17 30 o 0 68.9   9.3   ?    ?   247.815  -122.299     273.396    -122.299     127.17      -122.299     
1 1 1 1  17 31 o 0 3.8    6.5   ?    ?   160.282  46.0883      18.7501    -133.912     113.41      -133.912     
1 1 1 1  17 32 o 0 88.9   10.6  ?    ?   411.968  111.892      242.297    111.892      3.22146     111.892      
1 1 1 1  17 33 o 0 139.8  13    ?    ?   415.464  -84.7721     358.353    -84.7721     122.112     -84.7721     
1 1 1 1  17 34 f 1 -0.5   5.4   ?    ?   36.6069  88.1814      5.64899    -91.8186     25.5366     -91.8186     
1 1 1 1  17 35 o 0 -1.1   5.2   ?    ?   81.1051  -131.594     13.5951    48.4058      55.629      48.4058      
1 1 1 1  17 36 o 0 24.4   5.8   ?    ?   168.986  14.3764      132.584    14.3764      52.6766     14.3764      
1 1 1 1  17 37 o 0 18.9   6.3   ?    ?   204.206  129.757      93.7648    129.757      8.06378     129.757      
1 1 1 1  18 0  o 0 76     9.8   ?    ?   490.946  90           264.424    90           74.5619     -90          
1 1 1 1  18 1  o 0 33.4   4.3   ?    ?   270.288  43.9579      71.056     43.9579      114.917     -136.042     
1 1 1 1  18 2  o 0 105.5  7.8   ?    ?   361.309  -92.4728     314.272    -92.4728     66.6877     -92.4728     
1 1 1 1  18 3  o 0 883.2  61.3  ?    ?   1065.54  -121.182     1045.75    -121.182     318.981     -121.182     
1 1 1 1  18 4  o 0 25.7   3.8   ?    ?   167.711  142.766      42.435     142.766      71.3671     -37.2339     
1 1 1 1  18 5  o 0 137.5  11.1  ?    ?   244.104  -65.0499     442.846    -65.0499     278.135     -65.0499     
1 1 1 1  18 6  o 0 35.1   5.4   ?    ?   471.283  -21.0159     12.3036    158.984      328.383     158.984      
1 1 1 1  18 7  o 0 1229.9 100.7 ?    ?   1595.83  162.613      978.945    162.613      84.4242     -17.3875     
1 1 1 1  18 8  o 0 15.5   4.5   ?    ?   326.782  141.161      58.3012    -38.839      258.843     -38.839      
1 1 1 1  18 9  f 1 207.5  16.3  ?    ?   786.958  44.8402      276.081    44.8402      202.121     -135.16      
1 1 1 1  18 10 o 0 411.4  29    ?    ?   1128.46  110.667      388.289    110.667      293.931     -69.3329     
1 1 1 1  18 11 o 0 160.1  12    ?    ?   730.2    -177.47      208.549    -177.47      230.681     2.53014      
1 1 1 1  18 12 o 0 219.9  15.9  ?    ?   777.088  -101.931     295.134    -101.931     168.34      78.0686      
1 1 1 1  18 13 o 0 21.7   3.3   ?    ?   180.525  -95.8991     17.6609    -95.8991     89.0518     84.1009      
1 1 1 1  18 14 o 0 990.3  68.8  ?    ?   1187.63  -172.474     909.824    -172.474     214.333     -172.474     
1 1 1 1  18 15 o 0 486    34.3  ?    ?   836.715  -4.12147     622.821    -4.12147     138.665     -4.12147     
1 1 1 1  18 16 o 0 494.1  41    ?    ?   987.045  -26.4733     540.822    -26.4733     24.4745     153.527      
1 1 1 1  18 17 f 1 22.9   3.6   ?    ?   182.763  41.7223      26.1229    41.7223      77.1598     -138.278     
1 1 1 1  18 18 o 0 116.6  11.5  ?    ?   494.011  31.984       224.021    31.984       55.9236     -148.016     
1 1 1 1  18 19 o 0 189.2  14.4  ?    ?   618.752  -150.551     303.3      -150.551     43.2156     29.4491      
1 1 1 1  18 20 f 1 210.3  17.5  ?    ?   320.414  -153.557     506.258    -153.557     318.303     -153.557     
1 1 1 1  18 21 o 0 44.8   7     ?    ?   222.855  78.4353      134.932    78.4353      4.21296     78.4353      
1 1 1 1  18 22 o 0 29.2   5.9   ?    ?   100.229  127.532      59.2337    127.532      1.22993     127.532      
1 1 1 1  18 23 o 0 48.8   5.7   ?    ?   184.701  112.698      165.163    112.698      61.8875     112.698      
1 1 1 1  18 24 o 0 86.6   7.8   ?    ?   242.608  167.365      279.052    167.365      152.512     167.365      
1 1 1 1  18 25 o 0 147.4  11.5  ?    ?   500.401  28.5006      303.215    28.5006      46.1697     28.5006      
1 1 1 1  18 26 o 0 39.5   6.1   ?    ?   145.877  -67.1085     145.083    -67.1085     73.9281     -67.1085     
1 1 1 1  18 27 o 0 23.2   5.4   ?    ?   360.933  156.165      20.4903    156.165      152.68      -23.8352     
1 1 1 1  18 28 o 0 186.3  19.7  ?    ?   632.562  101.666      308.608    101.666      14.4112     101.666      
1 1 1 1  18 29 o 0 49.7   6.8   ?    ?   181.093  80.5523      230.706    80.5523      123.284     80.5523      
1 1 1 1  18 30 o 0 62.2   7.5   ?    ?   138.097  85.2324      291.741    85.2324      209.702     85.2324      
1 1 1 1  18 31 f 1 28.3   6     ?    ?   145.015  41.5518      149.062    41.5518      64.5733     41.5518      
1 1 1 1  18 32 o 0 60.6   7.5   ?    ?   324.175  -110.821     200.853    -110.821     15.1985     -110.821     
1 1 1 1  18 33 o 0 22.3   6.8   ?    ?   151.396  92.8261      113.297    92.8261      30.1903     92.8261      
1 1 1 1  18 34 o 0 3.8    5     ?    ?   84.8053  27.9656      1.07389    27.9656      43.2502     -152.034     
1 1 1 1  18 35 o 0 27.6   5.7   ?    ?   216.827  -135.117     123.517    -135.117     13.8821     -135.117     
1 1 1 1  18 36 f 1 12.4   5.8   ?    ?   95.4931  159.577      66.1439    159.577      21.7001     159.577      
1 1 1 1  19 0  o 0 12.6   6     ?    ?   79.1301  90           14.8791    90           35.076      -90          
1 1 1 1  19 1  o 0 62.8   6.3   ?    ?   521.431  -131.195     74.8488    -131.195     253.275     48.8051      
1 1 1 1  19 2  o 0 535.3  35.1  ?    ?   976.772  114.421      653.312    114.421      40.9982     114.421      
1 1 1 1  19 3  o 0 617    43.1  ?    ?   1141.88  51.4546      643.22     51.4546      69.4608     -128.545     
1 1 1 1  19 4  o 0 46.5   5.5   ?    ?   277.064  -33.985      121.765    -33.985      50.3092     146.015      
1 1 1 1  19 5  o 0 110.3  10.2  ?    ?   523.088  84.6806      214.424    84.6806      108.69      -95.3194     
1 1 1 1  19 6  o 0 125.8  11.6  ?    ?   213.218  -74.5008     378.785    -74.5008     247.854     -74.5008     
1 1 1 1  19 7  o 0 217.3  21.2  ?    ?   654.854  -176.4       367.093    -176.4       33.7102     3.60019      
1 1 1 1  19 8  o 0 44.3   5.2   ?    ?   238.217  85.6081      118.322    85.6081      26.4906     -94.3919     
1 1 1 1  19 9  o 0 268.5  20.9  ?    ?   732.579  162.246      406.594    162.246      35.5357     -17.7543     
1 1 1 1  19 10 o 0 347.7  24.8  ?    ?   659.092  153.855      564.142    153.855      169.399     153.855      
1 1 1 1  19 11 o 0 195.4  14.5  ?    ?   652.366  22.9988      318.518    22.9988      69.0481     -157.001     
1 1 1 1  19 12 o 0 186    14    ?    ?   618.5    74.5396      316.253    74.5396      48.0736     -105.46      
1 1 1 1  19 13 o 0 15     3.4   ?    ?   31.3666  174.957      0.472834   -5.04347     18.7448     -5.04347     
1 1 1 1  19 14 o 0 720.5  50.3  ?    ?   1090.69  34.9408      721.612    34.9408      92.2103     34.9408      
1 1 1 1  19 15 o 0 435.7  31    ?    ?   914.82   132.717      513.594    132.717      9.11989     -47.2835     
1 1 1 1  19 16 f 1 1116.1 91.2  ?    ?   1627.13  -128.251     714.104    -128.251     214.24      51.7489      
1 1 1 1  19 17 o 0 35     5.1   ?    ?   140.758  11.875       82.8406    11.875       3.19594     11.875       
1 1 1 1  19 18 o 0 217.5  20.1  ?    ?   669.464  -162.582     344.088    -162.582     54.0973     17.418       
1 1 1 1  19 19 o 0 10.8   4.2   ?    ?   311.26   38.504       75.6956    -141.496     260.526     -141.496     
1 1 1 1  19 20 o 0 247.9  20.7  ?    ?   437.777  86.3091      508.963    86.3091      252.22      86.3091      
1 1 1 1  19 21 o 0 58.4   6.3   ?    ?   281.529  -125.867     176.4      -125.867     16.7049     -125.867     
1 1 1 1  19 22 o 0 13.9   5     ?    ?   139.218  -45.9389     4.52587    -45.9389     73.3801     134.061      
1 1 1 1  19 23 o 0 239.9  21.4  ?    ?   681.104  164.84       379.655    164.84       23.9374     164.84       
1 1 1 1  19 24 f 1 35.6   5.6   ?    ?   437.908  156.839      35.6692    156.839      189.109     -23.1607     
1 1 1 1  19 25 o 0 107.9  11.1  ?    ?   460.038  -2.1123      243.717    -2.1123      18.7881     -2.1123      
1 1 1 1  19 26 o 0 8.9    4.8   ?    ?   141.374  -11.1211     1.78639    168.879      68.8714     168.879      
1 1 1 1  19 27 o 0 17     4.7   ?    ?   257.645  -20.8508     29.7803    -20.8508     90.4678     159.149      
1 1 1 1  19 28 o 0 159.7  13.5  ?    ?   528.99   31.4988      369.965    31.4988      54.8902     31.4988      
1 1 1 1  19 29 o 0 26.4   4.9   ?    ?   252.906  66.9361      100.019    66.9361      50.9296     -113.064     
1 1 1 1  19 30 o 0 27.8   5.6   ?    ?   132.284  75.3116      149.628    75.3116      71.9487     75.3116      
1 1 1 1  19 31 o 0 12.5   5.9   ?    ?   101.213  7.24532      45.7483    7.24532      12.5594     -172.755     
1 1 1 1  19 32 o 0 39.4   7.9   ?    ?   55.3993  -81.689      168.794    -81.689      138.184     -81.689      
1 1 1 1  19 33 o 0 103.3  13.2  ?    ?   241.757  77.4389      354.957    77.4389      227.693     77.4389      
1 1 1 1  19 34 o 0 2.9    6.1   ?    ?   131.19   26.3036      0.718048   26.3036      66.1356     -153.696     
1 1 1 1  19 35 o 0 0.8    5.6   ?    ?   59.3237  85.0872      4.37789    85.0872      23.5382     -94.9128     
1 1 1 1  19 36 f 1 8.9    5.5   ?    ?   98.4758  40.0292      56.5794    40.0292      15.5305     40.0292      
1 1 1 1  20 0  o 0 0.2    7.3   ?    ?   112.778  -90          5.41832    -90          64.9347     90           
1 1 1 1  20 1  f 1 68     6.6   ?    ?   379.668  172.395      163.407    172.395      72.131      -7.60519     
1 1 1 1  20 2  o 0 582.6  38.3  ?    ?   1091.76  25.2103      627.214    25.2103      49.4212     -154.79      
1 1 1 1  20 3  o 0 177.7  13.3  ?    ?   681.64   -39.6637     278.931    -39.6637     141.773     140.336      
1 1 1 1  20 4  o 0 33.1   4.8   ?    ?   252.342  -98.7058     66.1796    -98.7058     88.8329     81.2942      
1 1 1 1  20 5  o 0 103.8  10.2  ?    ?   407.413  -70.8923     252.896    -70.8923     3.9305      -70.8923     
1 1 1 1  20 6  o 0 714.2  59.3  ?    ?   1050.67  11.0877      772.565    11.0877      134.186     11.0877      
1 1 1 1  20 7  o 0 1438.7 118.1 ?    ?   1397.72  -5.39458     1141.82    -5.39458     297.855     -5.39458     
1 1 1 1  20 8  o 0 144.8  13.6  ?    ?   580.501  171.795      257.253    171.795      90.9275     -8.2046      
1 1 1 1  20 9  o 0 161.5  12.3  ?    ?   723.713  -139.68      212.714    -139.68      218.268     40.32        
1 1 1 1  20 10 o 0 1059.4 73.6  ?    ?   1231.83  -131.237     946.456    -131.237     220.016     -131.237     
1 1 1 1  20 11 o 0 458.2  32.4  ?    ?   839.532  50.3701      595.403    50.3701      104.291     50.3701      
1 1 1 1  20 12 o 0 459.7  32.5  ?    ?   1043.58  62.8767      478.032    62.8767      127.259     -117.123     
1 1 1 1  20 13 o 0 38     4.5   ?    ?   171.727  -68.7632     93.1266    -68.7632     5.58598     111.237      
1 1 1 1  20 14 o 0 982.9  68.5  ?    ?   1285.24  26.0908      817.554    26.0908      77.2882     26.0908      
1 1 1 1  20 15 o 0 499.8  41.4  ?    ?   813.457  -178.679     627.776    -178.679     163.88      -178.679     
1 1 1 1  20 16 o 0 370    40.6  ?    ?   688.877  166.507      564.76     166.507      151.414     166.507      
1 1 1 1  20 17 o 0 33.7   8.2   ?    ?   269.874  119.79       76.6287    119.79       85.1951     -60.21       
1 1 1 1  20 18 f 1 71.5   8     ?    ?   187.125  151.64       234.844    151.64       124.202     151.64       
1 1 1 1  20 19 o 0 206.4  16    ?    ?   486.724  131.376      413.886    131.376      128.795     131.376      
1 1 1 1  20 20 o 0 123.7  10.6  ?    ?   514.843  -165.849     241.206    -165.849     50.6078     14.1513      
1 1 1 1  20 21 o 0 45.3   6.6   ?    ?   304.931  12.6474      118.602    12.6474      51.9874     -167.353     
1 1 1 1  20 22 o 0 19.2   5.4   ?    ?   134.722  65.1416      45.7688    65.1416      24.6063     -114.858     
1 1 1 1  20 23 o 0 31.8   6.1   ?    ?   86.0486  -51.3653     93.321     -51.3653     50.5675     -51.3653     
1 1 1 1  20 24 o 0 27.6   5     ?    ?   175.928  151.224      95.8473    151.224      9.72269     151.224      
1 1 1 1  20 25 o 0 50.5   5.9   ?    ?   283.736  -122.405     164.321    -122.405     29.4411     -122.405     
1 1 1 1  20 26 o 0 21.9   4.6   ?    ?   242.767  -131.653     60.8221    -131.653     52.7476     48.3472      
1 1 1 1  20 27 o 0 8.6    4.4   ?    ?   210.884  -179.729     17.7067    0.271407     143.678     0.271407     
1 1 1 1  20 28 o 0 9.2    4.5   ?    ?   179.132  -117.51      6.32692    -117.51      100.963     62.4904      
1 1 1 1  20 29 o 0 49.5   5.9   ?    ?   367.513  -39.0129     144.738    -39.0129     71.9525     140.987      
1 1 1 1  20 30 o 0 5.6    5.4   ?    ?   82.556   -28.3384     3.09807    -28.3384     44.6846     151.662      
1 1 1 1  20 31 o 0 4.1    5.4   ?    ?   42.4833  47.0645      2.16028    47.0644      21.4375     -132.936     
1 1 1 1  20 32 o 0 144.3  14.3  ?    ?   398.48   16.4685      377.552    16.4685      166.544     16.4685      
1 1 1 1  20 33 o 0 44.7   7.3   ?    ?   262.244  -57.4583     176.54     -57.4583     42.0267     -57.4583     
1 1 1 1  20 34 o 0 -3.8   7     ?    ?   134.476  162.865      9.33186    -17.1351     73.0675     -17.1351     
1 1 1 1  20 35 o 0 23.9   7.4   ?    ?   232.428  -95.6585     106.796    -95.6585     8.89972     -95.6585     
1 1 1 1  21 0  o 0 -0.2   8.6   ?    ?   75.265   -90          4.05999    -90          42.1558     90           
1 1 1 1  21 1  o 0 296.5  23.3  ?    ?   822.433  -41.2286     404.906    -41.2286     98.7348     138.771      
1 1 1 1  21 2  o 0 12.8   5.3   ?    ?   162.427  32.0835      28.6663    -147.916     127.802     -147.916     
1 1 1 1  21 3  o 0 116.8  9.9   ?    ?   653.835  45.9702      154.373    45.9702      243.122     -134.03      
1 1 1 1  21 4  o 0 27.8   5.5   ?    ?   94.7762  -34.9229     40.0036    -34.9229     17.2319     145.077      
1 1 1 1  21 5  o 0 215.5  17.5  ?    ?   549.164  -8.04827     417.915    -8.04827     87.9459     -8.04827     
1 1 1 1  21 6  o 0 323.4  25.5  ?    ?   635.653  -18.9709     542.345    -18.9709     162.535     -18.9709     
1 1 1 1  21 7  o 0 967.2  72.8  ?    ?   1135.95  -142.116     932.667    -142.116     258.048     -142.116     
1 1 1 1  21 8  o 0 28.4   5.9   ?    ?   457.674  -154.467     34.3915    25.5334      304.411     25.5334      
1 1 1 1  21 9  o 0 -0.5   4.8   ?    ?   166.498  78.1822      78.4903    -101.818     176.029     -101.818     
1 1 1 1  21 10 o 0 64.7   6.5   ?    ?   528.219  -117.915     73.1285    -117.915     233.985     62.0845      
1 1 1 1  21 11 o 0 665.7  46.8  ?    ?   1170.03  -72.7172     616.976    -72.7172     65.6316     107.283      
1 1 1 1  21 12 f 1 107.6  10    ?    ?   284.092  -25.1093     302.458    -25.1093     138.543     -25.1093     
1 1 1 1  21 13 o 0 3.6    2.8   ?    ?   115.047  -104.314     48.8895    75.6858      114.844     75.6858      
1 1 1 1  21 14 o 0 120    12.6  ?    ?   462.086  -105.652     263.148    -105.652     15.8434     74.3484      
1 1 1 1  21 15 o 0 154.6  16.3  ?    ?   611.121  -7.83707     256.307    -7.83707     112.776     172.163      
1 1 1 1  21 16 o 0 312.4  31.1  ?    ?   613.64   70.7148      519.911    70.7148      153.17      70.7148      
1 1 1 1  21 17 o 0 34.1   5     ?    ?   197.136  154.686      94.7237    154.686      21.806      -25.3135     
1 1 1 1  21 18 o 0 12.8   4.2   ?    ?   197.001  13.2427      8.61184    -166.757     121.412     -166.757     
1 1 1 1  21 19 o 0 45.8   6.4   ?    ?   289.307  85.1034      128.132    85.1034      35.5357     -94.8966     
1 1 1 1  21 20 o 0 25     4.9   ?    ?   248.709  28.3731      63.6229    28.3731      67.895      -151.627     
1 1 1 1  21 21 o 0 11.7   5.2   ?    ?   117.205  26.4599      3.14453    26.4599      58.024      -153.54      
1 1 1 1  21 22 o 0 55.7   6.4   ?    ?   194.836  92.7244      205.197    92.7244      108.433     92.7244      
1 1 1 1  21 23 o 0 11.9   5.2   ?    ?   230.589  3.08487      6.31627    -176.915     119.212     -176.915     
1 1 1 1  21 24 o 0 321.5  27    ?    ?   670.588  -64.0655     495.493    -64.0655     176.513     -64.0655     
1 1 1 1  21 25 o 0 50.4   5.8   ?    ?   229.388  134.312      180.066    134.312      67.6684     134.312      
1 1 1 1  21 26 o 0 1.9    4     ?    ?   204.987  162.907      70.2242    -17.0935     192.885     -17.0935     
1 1 1 1  21 27 o 0 2.2    3.9   ?    ?   132.701  47.0443      35.6174    -132.956     115.281     -132.956     
1 1 1 1  21 28 o 0 13.8   4.6   ?    ?   8.58457  156.019      7.85468    156.019      2.77854     156.019      
1 1 1 1  21 29 o 0 23.1   4.9   ?    ?   56.5059  -65.1105     103.87     -65.1105     71.7651     -65.1105     
1 1 1 1  21 30 o 0 7.9    5.6   ?    ?   25.406   -8.55106     8.78906    -8.55106     5.38024     171.449      
1 1 1 1  21 31 o 0 12.9   5.2   ?    ?   71.8658  -10.7043     53.6168    -10.7043     15.3839     -10.7043     
1 1 1 1  21 32 o 0 18.8   6.3   ?    ?   212.293  128.298      74.615     128.298      34.8519     -51.7016     
1 1 1 1  21 33 o 0 39.1   8.2   ?    ?   349.483  166.999      119.38     166.999      47.2379     -13.0009     
1 1 1 1  21 34 o 0 51.5   7.9   ?    ?   307.753  -129.903     196.693    -129.903     66.2235     -129.903     
1 1 1 1  22 0  o 0 27.5   6.9   ?    ?   60.1097  90           30.1668    90           6.05662     -90          
1 1 1 1  22 1  o 0 204.2  17    ?    ?   678.488  129.841      326.21     129.841      81.647      -50.1591     
1 1 1 1  22 2  o 0 1052.6 79.3  ?    ?   1256.53  -116.353     939.936    -116.353     186.956     -116.353     
1 1 1 1  22 3  o 0 325.3  25.5  ?    ?   844.102  -112.088     427.669    -112.088     76.2798     67.9122      
1 1 1 1  22 4  o 0 67     8.8   ?    ?   388.26   35.1345      151.062    35.1345      79.7398     -144.865     
1 1 1 1  22 5  o 0 229.2  17.7  ?    ?   820.987  -141.994     286.049    -141.994     199.609     38.0061      
1 1 1 1  22 6  o 0 89.5   8.5   ?    ?   272.329  91.7032      261.916    91.7032      101.691     91.7032      
1 1 1 1  22 7  o 0 346.4  27.2  ?    ?   1064.02  36.3004      318.249    36.3004      311.222     -143.7       
1 1 1 1  22 8  o 0 35.8   7.7   ?    ?   291.211  -30.32       73.1215    -30.32       98.0453     149.68       
1 1 1 1  22 9  o 0 104.9  9.6   ?    ?   442.228  20.5319      228.558    20.5319      29.5628     -159.468     
1 1 1 1  22 10 o 0 909.4  63.7  ?    ?   1276.11  42.4485      814.377    42.4485      28.3653     42.4485      
1 1 1 1  22 11 o 0 608.5  46.6  ?    ?   872.657  -145.861     759.264    -145.861     226.035     -145.861     
1 1 1 1  22 12 o 0 253    22.9  ?    ?   719.186  -111.413     380.695    -111.413     59.5413     68.5865      
1 1 1 1  22 13 o 0 23     4.8   ?    ?   123.031  80.7179      42.273     80.7179      32.3642     -99.2821     
1 1 1 1  22 14 o 0 44.9   7.3   ?    ?   510.15   -98.0418     12.2396    -98.0418     294.322     81.9582      
1 1 1 1  22 15 f 1 13.9   3.9   ?    ?   136.137  -166.284     8.10142    -166.284     71.0587     13.7163      
1 1 1 1  22 16 o 0 118.8  10.4  ?    ?   527.542  145.164      227.415    145.164      76.9125     -34.8358     
1 1 1 1  22 17 f 1 7.3    3.9   ?    ?   136.563  -36.1433     32.055     143.857      109.771     143.857      
1 1 1 1  22 18 o 0 83     8.9   ?    ?   418.534  -162.748     202.844    -162.748     20.5958     17.2522      
1 1 1 1  22 19 o 0 132.3  11.4  ?    ?   359.533  19.7116      344.641    19.7116      155.01      19.7116      
1 1 1 1  22 20 o 0 453.3  33.1  ?    ?   1092.65  9.91047      467.592    9.91047      81.4207     -170.09      
1 1 1 1  22 21 o 0 46     6.4   ?    ?   328.98   -153.286     129.868    -153.286     33.2612     26.7136      
1 1 1 1  22 22 o 0 17.7   4.9   ?    ?   101.889  -47.596      49.5448    -47.596      0.404685    -47.596      
1 1 1 1  22 23 o 0 33.8   6.3   ?    ?   229.939  122.922      119.066    122.922      9.74942     122.922      
1 1 1 1  22 24 o 0 1.4    4.3   ?    ?   283.571  -69.1188     106.862    110.881      279.298     110.881      
1 1 1 1  22 25 o 0 17.1   4.9   ?    ?   196.09   -34.9356     68.7079    -34.9356     51.0564     145.064      
1 1 1 1  22 26 o 0 3.5    3.7   ?    ?   68.8832  16.5669      12.7509    -163.433     54.1484     -163.433     
1 1 1 1  22 27 o 0 29.1   4.5   ?    ?   235.687  -26.7704     123.811    -26.7704     15.7853     153.23       
1 1 1 1  22 28 o 0 17     4.3   ?    ?   120.739  71.5427      93.8402    71.5427      25.0857     71.5427      
1 1 1 1  22 29 o 0 71     7.7   ?    ?   404.768  124.407      204.468    124.407      15.6677     -55.5932     
1 1 1 1  22 30 o 0 5.3    4.4   ?    ?   66.4346  -64.3098     12.0342    -64.3098     23.0288     115.69       
1 1 1 1  22 31 o 0 9.7    5.2   ?    ?   170.118  168.642      29.589     168.642      58.484      -11.3584     
1 1 1 1  22 32 o 0 46.1   7.1   ?    ?   305.43   21.0419      170.037    21.0419      23.7459     21.0419      
1 1 1 1  22 33 o 0 -4.4   5.6   ?    ?   78.0768  -25.0667     0.738141   -25.0667     32.5361     154.933      
1 1 1 1  23 0  o 0 38.2   15.2  ?    ?   37.1281  -90          24.2118    -90          1.97038     -90          
1 1 1 1  23 1  o 0 231.3  19.2  ?    ?   394.821  130.827      517.193    130.827      281.215     130.827      
1 1 1 1  23 2  o 0 660.6  55.3  ?    ?   1062.21  111.407      682.604    111.407      49.5875     111.407      
1 1 1 1  23 3  f 1 54.9   11.2  ?    ?   284.243  96.4583      152.128    96.4583      16.2324     -83.5417     
1 1 1 1  23 4  o 0 72.8   9.2   ?    ?   270.237  -148.196     216.366    -148.196     56.5514     -148.196     
1 1 1 1  23 5  o 0 52.7   7.3   ?    ?   283.699  27.1617      153.044    27.1617      24.4962     -152.838     
1 1 1 1  23 6  f 1 162.2  13.7  ?    ?   403.868  174.556      400.072    174.556      149.309     174.556      
1 1 1 1  23 7  f 1 390.4  30.7  ?    ?   807.567  130.301      547.789    130.301      49.2836     130.301      
1 1 1 1  23 8  o 0 9.8    6.4   ?    ?   89.2678  17.1413      15.5263    -162.859     70.9886     -162.859     
1 1 1 1  23 9  f 1 1.9    6.2   ?    ?   199.36   110.4        80.0878    -69.6004     202.783     -69.6004     
1 1 1 1  23 10 o 0 101.2  9.9   ?    ?   572.683  147.138      156.847    147.138      193.903     -32.8622     
1 1 1 1  23 11 o 0 27.7   7.9   ?    ?   180.189  80.8375      66.6512    80.8375      42.8366     -99.1625     
1 1 1 1  23 12 o 0 158.3  12.7  ?    ?   527.975  -40.6975     310.553    -40.6975     7.5583      139.302      
1 1 1 1  23 13 o 0 9.2    3.6   ?    ?   223.471  -151.834     45.5561    28.1662      176.313     28.1662      
1 1 1 1  23 14 o 0 10.6   3.7   ?    ?   73.6161  102.817      4.74988    -77.1831     47.4175     -77.1831     
1 1 1 1  23 15 o 0 586.6  45.3  ?    ?   1133.31  153.931      554.535    153.931      95.7862     -26.0688     
1 1 1 1  23 16 f 1 158.6  14.3  ?    ?   384.744  -23.0952     394.454    -23.0952     188.192     -23.0952     
1 1 1 1  23 17 f 1 41.9   5.6   ?    ?   261.187  -30.0429     135.67     -30.0429     2.81352     149.957      
1 1 1 1  23 18 o 0 26.2   4.8   ?    ?   218.283  -8.85068     86.2732    -8.85068     24.3815     171.149      
1 1 1 1  23 19 o 0 213.8  17.1  ?    ?   557.155  3.60424      408.491    3.60424      129.461     3.60424      
1 1 1 1  23 20 o 0 11.5   4.2   ?    ?   212.572  121.905      4.30542    121.905      99.3516     -58.0949     
1 1 1 1  23 21 o 0 26.2   5.7   ?    ?   352.288  -158.672     44.5409    -158.672     124.983     21.3277      
1 1 1 1  23 22 o 0 18.2   5.4   ?    ?   286.982  20.7218      26.4333    20.7218      116.057     -159.278     
1 1 1 1  23 23 o 0 76.3   10.6  ?    ?   375.654  178.444      240.062    178.444      11.904      178.444      
1 1 1 1  23 24 o 0 86.5   12.4  ?    ?   512.134  -179.082     187.732    -179.082     124.855     0.918062     
1 1 1 1  23 25 f 1 41.8   5.8   ?    ?   153.316  36.2615      217.498    36.2615      125.403     36.2615      
1 1 1 1  23 26 o 0 11.7   4.5   ?    ?   161.645  -39.1114     36.6916    -39.1114     59.0938     140.889      
1 1 1 1  23 27 o 0 20     4.1   ?    ?   144.521  -146.389     110.76     -146.389     28.3787     -146.389     
1 1 1 1  23 28 o 0 52.2   5.8   ?    ?   285.548  -158.027     202.951    -158.027     47.4049     -158.027     
1 1 1 1  23 29 o 0 2      4.4   ?    ?   110.295  -78.5981     9.36622    101.402      67.7048     101.402      
1 1 1 1  23 30 o 0 2.7    4.2   ?    ?   136.192  32.7468      4.03673    -147.253     70.7634     -147.253     
1 1 1 1  23 31 o 0 5.6    4.5   ?    ?   123.651  4.8764       32.3275    4.8764       21.6442     -175.124     
1 1 1 1  24 0  o 0 0.4    8.7   ?    ?   29.0278  -90          2.09433    -90          16.2474     90           
1 1 1 1  24 1  o 0 62.4   10.9  ?    ?   295.735  -132.233     187.881    -132.233     1.40337     -132.233     
1 1 1 1  24 2  f 1 88.9   14.5  ?    ?   271.144  -5.15197     281.136    -5.15197     111.068     -5.15197     
1 1 1 1  24 3  o 0 73.1   10.9  ?    ?   254.384  16.89        238.552    16.89        79.1224     16.89        
1 1 1 1  24 4  o 0 23.3   7     ?    ?   219.569  -152.031     39.2248    -152.031     97.8404     27.9688      
1 1 1 1  24 5  f 1 66.1   8.6   ?    ?   222.481  165.654      223.059    165.654      85.1642     165.654      
1 1 1 1  24 6  o 0 90.6   10.2  ?    ?   476.815  22.7723      182.552    22.7723      112.223     -157.228     
1 1 1 1  24 7  o 0 25.5   8.1   ?    ?   230.225  56.0189      47.8774    56.0189      93.6413     -123.981     
1 1 1 1  24 8  o 0 39.2   8.3   ?    ?   276.152  84.3613      100.775    84.3613      67.9158     -95.6387     
1 1 1 1  24 9  o 0 47.1   7.8   ?    ?   321.646  27.4988      125.575    27.4988      65.6462     -152.501     
1 1 1 1  24 10 o 0 68.1   7.9   ?    ?   493.999  -178.682     112.218    -178.682     179.319     1.31803      
1 1 1 1  24 11 o 0 399.7  31.4  ?    ?   493.702  -157.564     714.25     -157.564     425.175     -157.564     
1 1 1 1  24 12 o 0 160.9  19.5  ?    ?   428.56   10.0264      368.227    10.0264      119.396     10.0264      
1 1 1 1  24 13 o 0 -1     5.6   ?    ?   129.856  -84.6662     46.5458    95.3338      117.281     95.3338      
1 1 1 1  24 14 o 0 46.4   6.2   ?    ?   503.497  32.6155      48.2545    32.6155      223.426     -147.384     
1 1 1 1  24 15 o 0 113.9  10.4  ?    ?   401.142  -40.3056     288.619    -40.3056     74.322      -40.3056     
1 1 1 1  24 16 o 0 82.3   8.3   ?    ?   463.527  -91.0367     188.509    -91.0367     47.8878     88.9633      
1 1 1 1  24 17 o 0 12.7   4     ?    ?   58.198   41.2833      12.559     41.2833      16.7948     -138.717     
1 1 1 1  24 18 f 1 10.7   4.2   ?    ?   187.195  -27.8779     3.81315    -27.8779     87.9816     152.122      
1 1 1 1  24 19 o 0 15.8   4.5   ?    ?   311.449  -65.2456     5.51043    -65.2456     145.755     114.754      
1 1 1 1  24 20 o 0 134.3  10.9  ?    ?   494.963  158.27       280.275    158.27       31.9635     158.27       
1 1 1 1  24 21 f 1 8.9    5.4   ?    ?   121.832  74.4371      6.50658    74.4371      68.1501     -105.563     
1 1 1 1  24 22 o 0 7.1    5.9   ?    ?   14.2776  12.1219      2.4638     12.1219      6.36106     -167.878     
1 1 1 1  24 23 o 0 11.8   6.2   ?    ?   250.436  -42.7058     1.12486    137.294      153.696     137.294      
1 1 1 1  24 24 o 0 21.3   6.7   ?    ?   311.335  46.9828      40.0823    46.9828      147.168     -133.017     
1 1 1 1  24 25 o 0 35.1   6.4   ?    ?   274.808  162.372      137.011    162.372      22.1691     -17.6278     
1 1 1 1  24 26 o 0 3.5    4.9   ?    ?   23.4405  -79.7201     1.03502    -79.7201     11.9553     100.28       
1 1 1 1  24 27 o 0 33.7   5.3   ?    ?   147.066  52.2762      183.736    52.2762      103.596     52.2762      
1 1 1 1  24 28 o 0 26.2   4.5   ?    ?   282.583  -109.797     95.6684    -109.797     53.9397     70.2026      
1 1 1 1  24 29 o 0 11.7   4.3   ?    ?   89.0355  -127.455     68.94      -127.455     25.251      -127.455     
1 1 1 1  24 30 o 0 1.4    4.3   ?    ?   111.58   152.171      6.91104    152.171      41.8947     -27.8287     
1 1 1 1  25 0  o 0 10.8   10    ?    ?   293.101  -90          47.7655    -90          130.291     90           
1 1 1 1  25 1  f 1 30.1   9.6   ?    ?   230.873  158.873      84.759     158.873      54.8687     -21.1272     
1 1 1 1  25 2  o 0 372.4  33.6  ?    ?   722.983  105.547      569.011    105.547      131.754     105.547      
1 1 1 1  25 3  o 0 38.1   8.5   ?    ?   286.262  26.5099      104.276    26.5099      68.303      -153.49      
1 1 1 1  25 4  o 0 32.1   8.8   ?    ?   289.636  -19.3166     74.475     -19.3166     99.4748     160.683      
1 1 1 1  25 5  o 0 8.4    8.1   ?    ?   245.373  41.6618      50.652     -138.338     197.369     -138.338     
1 1 1 1  25 6  o 0 57.9   9.7   ?    ?   407.528  50.0234      123.425    50.0234      119.033     -129.977     
1 1 1 1  25 7  f 1 33     9.1   ?    ?   168.603  -35.4331     105.885    -35.4331     6.39045     -35.4331     
1 1 1 1  25 8  o 0 29.8   6.9   ?    ?   274.033  -75.14       68.3282    -75.14       92.8043     104.86       
1 1 1 1  25 9  o 0 45.4   7.5   ?    ?   66.5917  -23.7752     117.589    -23.7752     80.7717     -23.7752     
1 1 1 1  25 10 o 0 192.9  16.7  ?    ?   670.538  -28.7344     324.629    -28.7344     43.4104     151.266      
1 1 1 1  25 11 o 0 165.4  17.3  ?    ?   553.775  -67.4268     328.335    -67.4268     26.7488     -67.4268     
1 1 1 1  25 12 o 0 143.6  18.6  ?    ?   586.076  147.081      262.415    147.081      54.1053     -32.9188     
1 1 1 1  25 13 o 0 13.8   5.9   ?    ?   201.144  30.8589      13.7177    30.8589      90.1581     -149.141     
1 1 1 1  25 14 o 0 99.6   10.6  ?    ?   424.734  15.4039      250.803    15.4039      33.5216     15.4039      
1 1 1 1  25 15 o 0 27     4.5   ?    ?   317.979  -76.7882     58.5048    -76.7882     102.547     103.212      
1 1 1 1  25 16 o 0 272.5  19.6  ?    ?   779.401  -151.029     399.6      -151.029     14.3988     -151.029     
1 1 1 1  25 17 o 0 11     3.9   ?    ?   64.9677  26.977       10.7843    26.977       20.9706     -153.023     
1 1 1 1  25 18 f 1 91.7   8.6   ?    ?   611.561  -123.896     132.185    -123.896     176.123     56.1038      
1 1 1 1  25 19 o 0 93.9   9.4   ?    ?   324.203  72.3903      330.747    72.3903      129.856     72.3903      
1 1 1 1  25 20 o 0 119.3  10.2  ?    ?   518.28   -1.89282     285.929    -1.89282     37.5285     178.107      
1 1 1 1  25 21 o 0 8.1    4.3   ?    ?   95.5374  -74.576      12.1338    -74.576      46.7013     105.424      
1 1 1 1  25 22 o 0 27.7   7.5   ?    ?   158.218  -93.8736     145.674    -93.8736     49.3732     -93.8736     
1 1 1 1  25 23 o 0 16     6.7   ?    ?   185.012  -20.7947     64.4764    -20.7947     44.1001     159.205      
1 1 1 1  25 24 o 0 144.7  14.2  ?    ?   408.167  86.4374      391.544    86.4374      155.592     86.4374      
1 1 1 1  25 25 o 0 20.3   6.4   ?    ?   121.74   -124.585     112.08     -124.585     44.7114     -124.585     
1 1 1 1  25 26 o 0 3.6    4.5   ?    ?   95.446   30.6153      2.08913    30.6153      49.2876     -149.385     
1 1 1 1  25 27 o 0 2.4    4.5   ?    ?   15.8882  46.2343      1.99953    46.2343      5.93645     -133.766     
1 1 1 1  25 28 o 0 2      4.1   ?    ?   74.6967  -140.924     0.590936   -140.924     36.0722     39.0763      
1 1 1 1  25 29 o 0 3.4    4.3   ?    ?   106.507  -113.584     18.8967    -113.584     27.7301     66.4159      
1 1 1 1  26 0  o 0 18.6   27.5  ?    ?   131.252  90           47.5871    90           26.4079     -90          
1 1 1 1  26 1  o 0 38.6   9.8   ?    ?   91.6776  148.341      120.042    148.341      68.4464     148.341      
1 1 1 1  26 2  o 0 239.7  23.5  ?    ?   526.601  51.5898      487.935    51.5898      192.273     51.5898      
1 1 1 1  26 3  o 0 13.7   9.4   ?    ?   190.647  -19.6296     8.76391    -19.6296     97.9524     160.37       
1 1 1 1  26 4  o 0 12.1   9.1   ?    ?   139.118  41.3166      7.51425    41.3166      70.074      -138.683     
1 1 1 1  26 5  f 1 69.6   10.6  ?    ?   387.011  22.0306      185.403    22.0306      28.9667     -157.969     
1 1 1 1  26 6  o 0 206.8  17.4  ?    ?   667.753  -39.4968     353.18     -39.4968     15.8461     140.503      
1 1 1 1  26 7  o 0 197.5  15.6  ?    ?   668.986  -111.476     334.149    -111.476     33.5441     68.5242      
1 1 1 1  26 8  o 0 21.9   7.3   ?    ?   217.801  153.779      60.6098    153.779      54.1866     -26.2208     
1 1 1 1  26 9  o 0 54.8   8.6   ?    ?   431.392  -119.87      122.774    -119.87      103.099     60.13        
1 1 1 1  26 10 o 0 33.2   8.7   ?    ?   279.313  -157.359     101.26     -157.359     43.9386     22.6406      
1 1 1 1  26 11 f 1 46     9.3   ?    ?   302.588  43.9579      143.568    43.9579      12.1157     -136.042     
1 1 1 1  26 12 o 0 28.6   6.3   ?    ?   171.821  164.56       113.917    164.56       27.2381     164.56       
1 1 1 1  26 13 o 0 10.7   5.7   ?    ?   122.315  92.8392      10.893     92.8392      50.2673     -87.1608     
1 1 1 1  26 14 o 0 90.4   10.1  ?    ?   246.817  174.966      299.874    174.966      177.616     174.966      
1 1 1 1  26 15 o 0 39.8   6.8   ?    ?   456.815  155.565      50.6381    155.565      183.741     -24.4347     
1 1 1 1  26 16 o 0 84.6   9.6   ?    ?   306.767  37.4389      316.038    37.4389      122.755     37.4389      
1 1 1 1  26 17 o 0 -1.2   3.9   ?    ?   112.506  171.427      47.7465    -8.57327     117.852     -8.57327     
1 1 1 1  26 18 o 0 40.3   5.8   ?    ?   244.039  81.5197      180.033    81.5197      26.7021     81.5197      
1 1 1 1  26 19 o 0 274    20    ?    ?   619.786  -172.04      536.742    -172.04      152.054     -172.04      
1 1 1 1  26 20 o 0 99.8   9.5   ?    ?   335.254  -90.9706     333.166    -90.9706     127.271     -90.9706     
1 1 1 1  26 21 o 0 88.4   10    ?    ?   360.631  -29.4815     286.499    -29.4815     72.708      -29.4815     
1 1 1 1  26 22 o 0 44.4   8.5   ?    ?   142.925  113.261      231.436    113.261      147.879     113.261      
1 1 1 1  26 23 o 0 19.8   6     ?    ?   242.152  -20.7977     74.9921    -20.7977     60.6825     159.202      
1 1 1 1  26 24 o 0 78.5   9.9   ?    ?   343.85   -76.5467     261.942    -76.5467     74.3256     -76.5467     
1 1 1 1  26 25 o 0 29.1   8.6   ?    ?   251.203  15.1673      115.597    15.1673      19.3317     -164.833     
1 1 1 1  26 26 o 0 -7.2   6.2   ?    ?   23.7804  159.946      2.69234    -20.0544     14.5518     -20.0544     
1 1 1 1  26 27 o 0 24.5   5.1   ?    ?   256.928  29.6374      118.555    29.6374      4.1339      29.6374      
1 1 1 1  27 0  o 0 0.3    22    ?    ?   53.1383  90           11.3465    90           16.9662     -90          
1 1 1 1  27 1  o 0 145    30.6  ?    ?   413.03   -55.9941     353.868    -55.9941     134.144     -55.9941     
1 1 1 1  27 2  o 0 203    20.4  ?    ?   509.599  -165.229     434.927    -165.229     164.431     -165.229     
1 1 1 1  27 3  f 1 202.9  19.5  ?    ?   456.461  62.5444      460.367    62.5444      219.393     62.5444      
1 1 1 1  27 4  o 0 -5.6   9     ?    ?   64.4098  73.7825      16.7756    -106.217     50.747      -106.217     
1 1 1 1  27 5  f 1 26.1   9     ?    ?   63.654   29.3199      55.8356    29.3199      22.4872     29.3199      
1 1 1 1  27 6  o 0 195    18.5  ?    ?   572.5    -121.067     383.146    -121.067     83.8633     -121.067     
1 1 1 1  27 7  o 0 401.4  32.6  ?    ?   892.907  -135.589     517.57     -135.589     53.2795     -135.589     
1 1 1 1  27 8  o 0 48.3   8.5   ?    ?   295.247  81.0548      161.992    81.0548      11.496      81.0548      
1 1 1 1  27 9  o 0 55.4   9.4   ?    ?   381.904  -119.914     149.078    -119.914     44.3236     60.0856      
1 1 1 1  27 10 o 0 14.6   9     ?    ?   206.262  133.712      24.6592    133.712      79.0554     -46.2876     
1 1 1 1  27 11 o 0 391.1  31.7  ?    ?   766.909  66.0776      558.578    66.0776      175.901     66.0776      
1 1 1 1  27 12 o 0 14.8   5.4   ?    ?   160.07   6.27187      40.6189    6.27187      42.2557     -173.728     
1 1 1 1  27 13 o 0 15     4.6   ?    ?   164.082  -178.464     55.7346    -178.464     48.7675     1.53599      
1 1 1 1  27 14 o 0 73.6   10.2  ?    ?   337.307  126.895      261.635    126.895      48.812      126.895      
1 1 1 1  27 15 o 0 68.1   8.8   ?    ?   258.16   -17.9409     285.309    -17.9409     120.789     -17.9409     
1 1 1 1  27 16 o 0 25.6   5.9   ?    ?   96.6696  -2.81981     136.51     -2.81981     75.5487     -2.81981     
1 1 1 1  27 17 o 0 2.3    5.1   ?    ?   92.079   -142.234     14.3936    37.7665      71.9473     37.7665      
1 1 1 1  27 18 o 0 36.7   6.9   ?    ?   218.317  126.449      172.442    126.449      37.5624     126.449      
1 1 1 1  27 19 o 0 21.9   4.7   ?    ?   167.755  156.107      120.364    156.107      20.2069     156.107      
1 1 1 1  27 20 f 1 137.7  13.1  ?    ?   407.112  33.2144      385.855    33.2144      146.496     33.2144      
1 1 1 1  27 21 o 0 15.7   5     ?    ?   137.011  109.157      84.7423    109.157      7.2519      109.157      
1 1 1 1  27 22 o 0 54.8   8.9   ?    ?   262.55   68.1123      222.539    68.1123      76.1043     68.1123      
1 1 1 1  27 23 o 0 58.8   9.2   ?    ?   334.193  145.059      201.487    145.059      19.8655     145.059      
1 1 1 1  27 25 f 1 14.4   7.8   ?    ?   252.586  -80.1855     48.1945    -80.1855     65.5943     99.8145      
1 1 1 1  27 26 o 0 -4.5   6.3   ?    ?   87.0204  124.136      4.50157    124.136      34.1647     -55.8639     
1 1 1 1  28 0  o 0 95.5   15.3  ?    ?   424.091  -90          242.989    -90          24.8791     -90          
1 1 1 1  28 1  o 0 61.5   11.5  ?    ?   326.107  41.9995      193.699    41.9995      26.2168     41.9995      
1 1 1 1  28 2  o 0 22.6   10.5  ?    ?   334.778  -49.4108     25.6863    -49.4108     145.894     130.589      
1 1 1 1  28 3  o 0 20.1   9.5   ?    ?   220.958  143.225      52.4088    143.225      60.5281     -36.7749     
1 1 1 1  28 4  o 0 -7.7   10    ?    ?   29.0582  128.412      6.0059     -51.5883     20.8083     -51.5883     
1 1 1 1  28 5  o 0 5.1    18.5  ?    ?   168.344  -51.1793     24.5598    -51.1793     60.8532     128.821      
1 1 1 1  28 6  o 0 88.5   10.5  ?    ?   365.116  97.2813      253.363    97.2813      68.9666     97.2813      
1 1 1 1  28 7  o 0 90.5   11    ?    ?   442.635  85.5495      215.399    85.5495      17.2485     -94.4505     
1 1 1 1  28 8  o 0 12     8.1   ?    ?   165.213  -132.963     21.4228    -132.963     64.9077     47.0374      
1 1 1 1  28 9  o 0 -4.6   8     ?    ?   46.6407  19.4324      12.7177    -160.568     42.7695     -160.568     
1 1 1 1  28 10 o 0 65     9.4   ?    ?   388.355  72.0132      206.122    72.0132      42.3551     -107.987     
1 1 1 1  28 11 o 0 7      7.1   ?    ?   149.754  -72.9469     4.57183    -72.9469     92.4321     107.053      
1 1 1 1  28 12 o 0 15.5   5.7   ?    ?   219.807  -28.8861     44.5145    -28.8861     96.706      151.114      
1 1 1 1  28 13 o 0 -0.2   4.8   ?    ?   125.934  -16.9688     39.7978    163.031      120.002     163.031      
1 1 1 1  28 14 o 0 72.4   8     ?    ?   287.186  -73.521      284.693    -73.521      103.092     -73.521      
1 1 1 1  28 15 o 0 19.2   5.8   ?    ?   167.755  -75.0512     96.9827    -75.0512     8.05099     104.949      
1 1 1 1  28 16 o 0 77.4   9.4   ?    ?   352.886  133.101      263.366    133.101      49.4754     133.101      
1 1 1 1  28 17 o 0 8.9    5.4   ?    ?   105.604  95.7394      29.9385    95.7393      33.3664     -84.2607     
1 1 1 1  28 18 o 0 7.9    5.7   ?    ?   89.3693  163.121      22.2317    163.121      30.7216     -16.8788     
1 1 1 1  28 19 o 0 1.7    6.4   ?    ?   141.428  -122.685     10.6328    57.3153      91.1304     57.3153      
1 1 1 1  28 20 o 0 45.3   9.7   ?    ?   193.391  -83.0574     219.852    -83.0574     112.409     -83.0574     
1 1 1 1  28 21 o 0 9.9    6.4   ?    ?   62.7329  120.909      39.5767    120.909      5.18691     120.909      
1 1 1 1  28 22 o 0 5.3    6.4   ?    ?   82.1207  -79.1941     27.4202    -79.1941     14.4758     100.806      
1 1 1 1  28 23 o 0 13.4   6.7   ?    ?   225.543  142.133      55.746     142.133      47.2507     -37.8672     
1 1 1 1  28 24 o 0 93.7   11.8  ?    ?   456.296  159.668      265.792    159.668      60.5544     159.668      
1 1 1 1  29 0  o 0 -11.9  9.4   ?    ?   54.514   -90          4.09646    -90          31.5056     90           
1 1 1 1  29 1  o 0 4.7    8.9   ?    ?   54.1198  28.4948      2.1056     28.4948      33.1948     -151.505     
1 1 1 1  29 2  o 0 89.3   13.2  ?    ?   359.597  -82.7274     307.128    -82.7274     73.026      -82.7274     
1 1 1 1  29 3  o 0 27     11    ?    ?   291.693  -136.184     72.954     -136.184     116.452     43.816       
1 1 1 1  29 4  o 0 26.5   7.5   ?    ?   84.7863  51.3722      139.866    51.3722      83.8844     51.3722      
1 1 1 1  29 5  o 0 28.4   19.3  ?    ?   157.189  31.0935      131.625    31.0935      28.2395     31.0935      
1 1 1 1  29 6  o 0 101.9  15.9  ?    ?   353.965  64.8744      340.336    64.8744      108.574     64.8744      
1 1 1 1  29 7  o 0 31.6   8     ?    ?   88.2015  -98.3609     168.415    -98.3609     110.959     -98.3609     
1 1 1 1  29 8  o 0 5.6    8.5   ?    ?   161.403  -67.2273     0.335552   -67.2273     104.204     112.773      
1 1 1 1  29 9  o 0 30.5   8.5   ?    ?   186.094  -75.1318     155.399    -75.1318     35.6286     -75.1318     
1 1 1 1  29 10 o 0 38.2   7.4   ?    ?   236.435  158.226      176.587    158.226      25.1349     158.226      
1 1 1 1  29 11 o 0 100.8  11.4  ?    ?   392.92   -13.3282     311.407    -13.3282     61.6042     -13.3282     
1 1 1 1  29 12 f 1 27.1   6.3   ?    ?   142.576  -73.2768     153.569    -73.2768     63.8885     -73.2768     
1 1 1 1  29 13 o 0 14.7   5.3   ?    ?   99.905   -13.5128     76.292     -13.5128     15.1931     -13.5128     
1 1 1 1  29 14 o 0 82.4   10.2  ?    ?   346.022  -17.3722     282.035    -17.3722     72.3737     -17.3722     
1 1 1 1  29 15 o 0 55.5   7.3   ?    ?   271.558  175.339      229.331    175.339      66.4048     175.339      
1 1 1 1  29 16 f 1 89.6   12.5  ?    ?   345.824  165.561      298.536    165.561      99.3898     165.561      
1 1 1 1  29 17 o 0 -0.9   5.8   ?    ?   135.374  73.9847      24.0859    -106.015     101.386     -106.015     
1 1 1 1  29 18 o 0 1.7    5.8   ?    ?   129.404  162.517      5.87506    -17.483      78.0857     -17.483      
1 1 1 1  29 19 f 1 12.7   7.4   ?    ?   155.182  117.001      55.829     117.001      29.4962     -62.9993     
1 1 1 1  29 20 o 0 4.3    6.1   ?    ?   123.832  -14.9553     17.765     -14.9553     45.8388     165.045      
1 1 1 1  29 21 o 0 6.2    6.2   ?    ?   93.1358  -22.4007     46.1549    -22.4007     3.28495     -22.4007     
1 1 1 1  29 22 o 0 -2.9   6     ?    ?   77.2872  -100.061     7.25207    -100.061     27.8291     79.9393      
1 1 1 1  30 0  o 0 35.7   11.5  ?    ?   266.47   90           164.517    90           9.36289     -90          
1 1 1 1  30 1  f 1 40.7   8.2   ?    ?   352.741  157.291      125.723    157.291      103.606     -22.7089     
1 1 1 1  30 2  o 0 118.8  14.8  ?    ?   539.702  -160.83      274.489    -160.83      76.6673     19.1698      
1 1 1 1  30 3  o 0 139.1  16    ?    ?   503.867  -64.268      348.433    -64.268      21.3939     -64.268      
1 1 1 1  30 4  o 0 -1.9   7     ?    ?   45.944   7.44279      7.53998    -172.557     37.268      -172.557     
1 1 1 1  30 5  o 0 25.6   9.8   ?    ?   215.478  -139.554     107.339    -139.554     31.5648     40.4458      
1 1 1 1  30 6  o 0 100.7  16.9  ?    ?   425.033  -135.073     283.145    -135.073     10.3534     -135.073     
1 1 1 1  30 8  o 0 51.8   12.4  ?    ?   268.829  46.6442      213        46.6442      45.9982     46.6442      
1 1 1 1  30 9  o 0 33.9   8.7   ?    ?   194.458  28.0164      174.329    28.0164      54.28       28.0164      
1 1 1 1  30 10 o 0 41.3   8.1   ?    ?   147.363  -153.307     228.483    -153.307     138.128     -153.307     
1 1 1 1  30 11 o 0 236.9  21.5  ?    ?   664.41   -170.32      442.349    -170.32      37.9951     -170.32      
1 1 1 1  30 12 o 0 31.2   7.5   ?    ?   301.154  -70.8722     111.737    -70.8722     65.0552     109.128      
1 1 1 1  30 13 o 0 1.5    5.8   ?    ?   90.1776  100.573      4.92405    -79.4274     57.4073     -79.4274     
1 1 1 1  30 14 o 0 6.3    4.7   ?    ?   37.8182  -78.1954     9.20272    -78.1954     12.6051     101.805      
1 1 1 1  30 15 o 0 58.2   7.6   ?    ?   289.384  39.2688      234.193    39.2688      70.8214     39.2688      
1 1 1 1  30 16 f 1 26.9   5.2   ?    ?   300.379  -2.88422     94.2342    -2.88422     73.1554     177.116      
1 1 1 1  30 17 o 0 7.6    6.3   ?    ?   2.49397  -71.3263     1.82846    -71.3263     0.527876    -71.3263     
1 1 1 1  30 18 o 0 8.5    7     ?    ?   108.417  5.16673      46.1715    5.16673      9.71544     -174.833     
1 1 1 1  30 19 o 0 10     6.6   ?    ?   139.259  108.661      62.6915    108.661      1.71654     -71.339      
1 1 1 1  31 0  f 1 3.7    10    ?    ?   38.7524  90           10.4741    90           13.6209     -90          
1 1 1 1  31 1  o 0 42.7   8.2   ?    ?   300.147  176.136      166.867    176.136      20.0548     -3.86433     
1 1 1 1  31 2  o 0 24.8   7.4   ?    ?   235.747  165.132      108.358    165.132      38.2157     -14.8682     
1 1 1 1  31 3  o 0 8.9    9.2   ?    ?   229.378  36.2604      2.80009    36.2604      139.484     -143.74      
1 1 1 1  31 4  o 0 3.9    9.5   ?    ?   6.9884   66.4708      2.33064    66.4708      1.99142     -113.529     
1 1 1 1  31 5  o 0 13.4   6.1   ?    ?   46.5431  125.282      42.3364    125.282      13.6554     125.282      
1 1 1 1  31 6  o 0 1.2    9.4   ?    ?   151.902  138.096      3.11209    138.096      87.5226     -41.904      
1 1 1 1  31 7  o 0 -5.5   10    ?    ?   38.5059  -156.794     2.05009    -156.794     20.8128     23.2063      
1 1 1 1  31 8  o 0 2.4    19.3  ?    ?   127.165  -158.251     54.9352    -158.251     20.1526     21.7487      
1 1 1 1  31 9  o 0 32     19    ?    ?   192.501  107.355      124.37     107.355      11.3992     107.355      
1 1 1 1  31 10 f 1 -0.8   9.6   ?    ?   112.112  -61.5953     12.7199    -61.5953     51.7244     118.405      
1 1 1 1  31 11 o 0 31.8   11.4  ?    ?   421.489  -124.591     33.6592    -124.591     207.463     55.4091      
1 1 1 1  31 12 o 0 28.6   9.2   ?    ?   238.846  16.7741      118.408    16.7741      17.1433     -163.226     
1 1 1 1  31 13 o 0 10.3   8     ?    ?   139.104  166.185      57.0662    166.185      16.8007     -13.8148     
1 1 1 1  31 14 o 0 6      5.4   ?    ?   129.832  -20.1055     24.4609    -20.1055     43.8522     159.894      
1 1 1 1  31 15 o 0 85.7   10.4  ?    ?   447.759  -37.6755     242.81     -37.6755     9.50745     -37.6755     
1 1 1 1  31 16 o 0 12     4.6   ?    ?   251.058  -122.135     42.4339    -122.135     75.1481     57.8648      
1 1 1 1  32 0  f 1 3.6    10.1  ?    ?   203.067  -90          45.449     -90          72.9976     90           
1 1 1 1  32 1  o 0 11.2   6.9   ?    ?   148.198  -52.39       52.6604    -52.39       33.9317     127.61       
1 1 1 1  32 2  o 0 146.3  17.3  ?    ?   549.093  130.386      336.14     130.386      15.7901     130.386      
1 1 1 1  32 3  o 0 94     12.8  ?    ?   393.386  106.095      293.796    106.095      64.7904     106.095      
1 1 1 1  32 4  o 0 2.1    7.7   ?    ?   89.2301  -85.6921     13.7615    -85.6921     38.035      94.3079      
1 1 1 1  32 5  o 0 19.7   10.8  ?    ?   156.618  100.552      99.0548    100.552      8.45911     100.552      
1 1 1 1  32 6  f 1 21.3   10.1  ?    ?   123.836  149.468      116.034    149.468      44.8821     149.468      
1 1 1 1  32 7  o 0 1.9    10    ?    ?   95.0316  14.2624      22.7028    14.2624      31.7786     -165.738     
1 1 1 1  32 8  o 0 -3.1   8.2   ?    ?   107.705  -54.0639     6.70629    -54.0639     51.2512     125.936      
1 1 1 1  32 9  o 0 5.4    11.6  ?    ?   107.509  -65.2149     49.3905    -65.2149     8.11252     114.785      
1 1 1 1  32 10 o 0 54.2   15    ?    ?   260.41   6.7822       204.276    6.7822       65.9188     6.7822       
1 1 1 1  32 11 o 0 7.5    11.4  ?    ?   146.119  128.4        61.9311    128.4        8.06627     -51.6005     
1 1 1 1  32 13 o 0 -0.4   8     ?    ?   99.5353  -121.707     26.7821    -121.707     20.1228     58.2927      
1 1 1 1  33 0  o 0 -8.3   9.7   ?    ?   13.7969  90           2.29055    90           5.13362     -90          
1 1 1 1  33 1  o 0 6.4    7     ?    ?   125.892  -72.2912     33.7033    -72.2912     33.9917     107.709      
1 1 1 1  33 2  o 0 42.9   8.8   ?    ?   326.656  -88.5246     160.813    -88.5246     14.594      91.4754      
1 1 1 1  33 3  o 0 45.1   7.5   ?    ?   358.626  72.3654      158.184    72.3654      33.9929     -107.635     
1 1 1 1  33 4  o 0 9.8    10.2  ?    ?   92.9085  26.446       77.625     26.446       32.5303     26.446       
1 1 1 1  33 5  o 0 12.7   10    ?    ?   179.699  37.6043      69.0325    37.6043      17.892      -142.396     
1 1 1 1  33 7  o 0 27.1   12.7  ?    ?   144.123  176.251      142.863    176.251      73.7539     176.251      
1 1 1 1  33 8  o 0 4.4    7.1   ?    ?   144.217  84.9038      33.1969    84.9038      35.59       -95.0962     
1 1 1 2  0  0  < 0 -0.3   0.1   ?    ?   ?        ?            679.491    2.67295e-14  ?           ?            
1 1 1 2  0  1  < 0 -0.4   0.2   ?    ?   ?        ?            293.508    90           ?           ?            
1 1 1 2  0  3  o 0 0.6    0.4   ?    ?   38.5484  -90          0.338156   -90          28.0529     90           
1 1 1 2  0  4  o 0 1235.7 112.7 ?    ?   616.58   1.58719e-14  1132.47    0            677.57      -1.06559e-14 
1 1 1 2  0  5  o 0 1982.9 180.7 ?    ?   1457.29  -90          1433.75    -90          354.108     -90          
1 1 1 2  0  6  o 0 29.8   2.9   ?    ?   65.1502  0            40.6284    0            7.82332     180          
1 1 1 2  0  7  o 0 99.1   9.2   ?    ?   255.959  -90          306.556    -90          113.759     -90          
1 1 1 2  0  8  f 1 1002.4 91.5  ?    ?   1251.09  -180         1043.41    180          102.391     180          
1 1 1 2  0  9  o 0 495.4  52.4  ?    ?   716.034  90           720.253    90           190.572     90           
1 1 1 2  0  10 o 0 95.5   12.6  ?    ?   334.49   -180         306.922    180          59.8877     180          
1 1 1 2  0  11 o 0 66     12.5  ?    ?   621.36   -90          240.733    -90          184.801     90           
1 1 1 2  0  12 o 0 403.2  52.4  ?    ?   689.298  0            597.08     0            126.916     0            
1 1 1 2  0  13 o 0 33.6   3.5   ?    ?   392.445  -90          165.276    -90          117.242     90           
1 1 1 2  0  14 o 0 88.4   8.4   ?    ?   579.65   0            295.055    0            119.683     180          
1 1 1 2  0  15 o 0 0.5    1.6   ?    ?   16.5654  90           0.223263   90           11.5456     -90          
1 1 1 2  0  16 o 0 63.6   6.2   ?    ?   99.599   180          132.749    180          58.9112     180          
1 1 1 2  0  17 o 0 80.8   9     ?    ?   589.678  -90          295.983    -90          137.308     90           
1 1 1 2  0  18 o 0 372.8  39.7  ?    ?   613.757  180          627.575    180          180.964     180          
1 1 1 2  0  19 o 0 45.7   5.8   ?    ?   401.094  90           208.057    90           80.7355     -90          
1 1 1 2  0  20 o 0 3.2    3.8   ?    ?   187.235  4.10908e-15  8.99074    0            116.945     -180         
1 1 1 2  0  21 o 0 544.3  99.8  ?    ?   989.734  90           676.701    90           16.0038     90           
1 1 1 2  0  22 o 0 296    31.8  ?    ?   406.995  0            505.769    0            237.579     0            
1 1 1 2  0  23 o 0 361.2  38.7  ?    ?   875.999  -90          551.166    -90          18.2025     90           
1 1 1 2  0  24 f 1 27     4.7   ?    ?   138.896  180          68.2146    180          21.4794     1.50933e-14  
1 1 1 2  0  25 o 0 178.1  17.1  ?    ?   664.249  90           349.343    90           43.4342     -90          
1 1 1 2  0  26 o 0 83.4   10.7  ?    ?   307.192  4.2296e-16   225.711    0            46.3969     -1.63464e-15 
1 1 1 2  0  27 o 0 197.3  22.2  ?    ?   547.469  -90          355.037    -90          40.7642     -90          
1 1 1 2  0  28 o 0 17.8   5.9   ?    ?   38.3892  2.17204e-14  11.0832    0            10.5265     -180         
1 1 1 2  0  29 o 0 529.1  56.6  ?    ?   875.42   -90          559.013    -90          75.0971     -90          
1 1 1 2  0  30 o 0 9.1    9.4   ?    ?   223.197  9.82673e-16  25.3193    0            97.1496     -180         
1 1 1 2  0  32 o 0 126.1  16.3  ?    ?   433.53   -180         273.769    180          28.2273     180          
1 1 1 2  0  33 o 0 195.1  19.8  ?    ?   710.607  90           334.28     90           51.9042     -90          
1 1 1 2  0  34 o 0 9.8    7.7   ?    ?   368.948  180          46.7468    180          138.98      6.86906e-16  
1 1 1 2  0  35 o 0 68.6   10.1  ?    ?   539.789  -90          188.703    -90          67.6528     90           
1 1 1 2  0  36 o 0 89.1   11.5  ?    ?   481.97   180          210.422    180          10.153      1.45422e-13  
1 1 1 2  0  37 o 0 162.5  19.6  ?    ?   297.967  -90          276.359    -90          137.045     -90          
1 1 1 2  0  38 o 0 17.2   9.5   ?    ?   108.054  180          56.0333    180          6.38174     5.20361e-14  
1 1 1 2  0  39 o 0 30.9   10    ?    ?   430.38   90           133.247    90           109.721     -90          
1 1 1 2  0  40 o 0 8.2    11.2  ?    ?   55.872   0            18.3656    0            11.7052     180          
1 1 1 2  0  41 o 0 10     10.9  ?    ?   80.4186  90           28.6395    90           12.3488     -90          
1 1 1 2  0  42 o 0 20.2   9.4   ?    ?   154.408  180          82.6658    180          6.94019     180          
1 1 1 2  0  43 o 0 -1.6   9.7   ?    ?   40.1862  90           9.99881    90           6.43066     -90          
1 1 1 2  1  1  < 0 0      0.1   ?    ?   ?        ?            284.107    39.8646      ?           ?            
1 1 1 2  1  4  o 0 1555.1 100.2 ?    ?   1638.99  72.8564      1283.44    72.8564      107.615     72.8564      
1 1 1 2  1  5  o 0 562.7  36.4  ?    ?   534.036  54.3439      1075.89    54.3439      689.766     54.3439      
1 1 1 2  1  7  o 0 237.8  15.5  ?    ?   729.124  -78.9831     430.655    -78.9831     108.381     101.017      
1 1 1 2  1  8  o 0 504.2  37.7  ?    ?   811.018  -105.699     830.743    -105.699     229.19      -105.699     
1 1 1 2  1  9  o 0 323.8  29.7  ?    ?   805.158  28.2563      534.791    28.2563      52.0912     -151.744     
1 1 1 2  1  10 f 1 109    10.1  ?    ?   476.924  95.9316      269.701    95.9316      76.9918     -84.0684     
1 1 1 2  1  11 o 0 27.1   2.5   ?    ?   322.148  -48.7617     7.94029    -48.7617     210.051     131.238      
1 1 1 2  1  12 o 0 32.7   2.5   ?    ?   176.659  170.495      67.5716    170.495      51.6194     -9.50528     
1 1 1 2  1  13 o 0 1068   73.8  ?    ?   1201.29  91.1323      1160.19    91.1323      303.967     91.1323      
1 1 1 2  1  15 o 0 64.9   4.8   ?    ?   198.092  -83.9511     216.406    -83.9511     76.851      -83.9511     
1 1 1 2  1  16 f 1 85     5.8   ?    ?   173.225  85.9832      318.997    85.9832      191.898     85.9832      
1 1 1 2  1  17 o 0 57.8   4.1   ?    ?   259.791  -83.1723     205.147    -83.1723     15.624      -83.1723     
1 1 1 2  1  18 o 0 351.5  24.5  ?    ?   617.38   50.8348      732.612    50.8348      286.358     50.8348      
1 1 1 2  1  19 o 0 8.3    2.2   ?    ?   166.469  43.1903      60.527     -136.81      179.643     -136.81      
1 1 1 2  1  20 o 0 20.2   3.3   ?    ?   208.29   -4.6468      7.63652    -4.6468      131.651     175.353      
1 1 1 2  1  21 o 0 143.7  13.7  ?    ?   448.256  10.4571      367.531    10.4571      69.9125     10.4571      
1 1 1 2  1  22 o 0 192.3  16.3  ?    ?   365.624  -15.7375     516.857    -15.7375     277.143     -15.7375     
1 1 1 2  1  23 o 0 158.9  12.4  ?    ?   337.539  -118.702     450.257    -118.702     231.903     -118.702     
1 1 1 2  1  24 o 0 83.1   6.6   ?    ?   175.987  106.06       270.62     106.06       157.184     106.06       
1 1 1 2  1  25 o 0 39.7   4.7   ?    ?   165.27   101.026      96.1721    101.026      1.1501      -78.9741     
1 1 1 2  1  26 o 0 30.9   4.3   ?    ?   403.724  19.1214      0.717768   19.1214      234.033     -160.879     
1 1 1 2  1  27 o 0 245.9  16.5  ?    ?   382.832  76.9745      526.626    76.9745      307.658     76.9745      
1 1 1 2  1  28 o 0 41.7   5.8   ?    ?   111.953  -4.906       87.6517    -4.906       24.8458     -4.906       
1 1 1 2  1  29 o 0 267.9  20.8  ?    ?   742.757  10.8019      366.92     10.8019      42.3603     -169.198     
1 1 1 2  1  30 o 0 68.3   8.4   ?    ?   400.803  -174.456     137.456    -174.456     81.8144     5.54431      
1 1 1 2  1  31 o 0 189.5  17    ?    ?   657.878  177.471      286.227    177.471      92.9622     -2.52928     
1 1 1 2  1  32 o 0 53.6   7.7   ?    ?   239.774  -114.382     157.886    -114.382     22.4341     -114.382     
1 1 1 2  1  33 o 0 35.5   6.7   ?    ?   240.862  155.512      98.199     155.512      32.3835     -24.488      
1 1 1 2  1  34 o 0 8.1    5.5   ?    ?   195.24   -132.472     29.0967    47.5281      127.16      47.5281      
1 1 1 2  1  35 o 0 257.8  17.7  ?    ?   760.07   79.6704      361.717    79.6704      1.49754     79.6704      
1 1 1 2  1  36 f 1 14.5   5.6   ?    ?   22.1013  100.332      8.07441    100.332      1.99486     -79.6683     
1 1 1 2  1  37 o 0 24.9   5.8   ?    ?   199.196  -101.639     84.8867    -101.639     8.08058     78.361       
1 1 1 2  1  38 f 1 16.8   6.1   ?    ?   113.56   -2.47904     71.2357    -2.47904     5.91672     -2.47904     
1 1 1 2  1  39 o 0 29     6.7   ?    ?   297.432  52.8969      85.5499    52.8969      82.1086     -127.103     
1 1 1 2  1  40 o 0 23.6   9.1   ?    ?   198.312  69.475       93.8155    69.475       12.7698     -110.525     
1 1 1 2  1  41 o 0 10.6   9     ?    ?   147.078  -96.6708     39.3747    -96.6708     35.4941     83.3292      
1 1 1 2  1  42 o 0 14.4   6.5   ?    ?   204.415  50.5482      45.4661    50.5482      54.6694     -129.452     
1 1 1 2  1  43 o 0 5.5    7.1   ?    ?   234.676  -66.651      5.51661    -66.651      90.3278     113.349      
1 1 1 2  2  1  < 0 -0.7   0.3   ?    ?   ?        ?            238.374    -72.6241     ?           ?            
1 1 1 2  2  3  o 0 156.2  11.8  ?    ?   712.36   98.1824      240.91     98.1824      262.814     -81.8176     
1 1 1 2  2  4  o 0 304.1  21.1  ?    ?   474.314  115.32       701.021    115.32       364.619     115.32       
1 1 1 2  2  5  o 0 739.4  47.7  ?    ?   747.769  76.1254      1138.67    76.1254      605.03      76.1254      
1 1 1 2  2  6  o 0 81.7   5.4   ?    ?   457.363  -82.6931     189.893    -82.6931     141.955     97.3069      
1 1 1 2  2  7  o 0 121.7  9.2   ?    ?   553.769  80.2015      259.386    80.2015      144.56      -99.7985     
1 1 1 2  2  8  o 0 744    55.5  ?    ?   1306.18  -88.4924     761.441    -88.4924     177.026     91.5076      
1 1 1 2  2  10 o 0 228.5  18.8  ?    ?   746.067  -30.4447     360.887    -30.4447     138.973     149.555      
1 1 1 2  2  11 o 0 63.7   4.9   ?    ?   387.843  117.087      148.093    117.087      111.526     -62.9133     
1 1 1 2  2  12 o 0 328.9  24.7  ?    ?   889.568  -105.595     445.933    -105.595     148.19      74.4053      
1 1 1 2  2  13 o 0 221.6  16.8  ?    ?   486.821  101.114      531.154    101.114      187.457     101.114      
1 1 1 2  2  14 o 0 131.4  9.3   ?    ?   529.474  -95.4478     291.315    -95.4478     80.7379     84.5522      
1 1 1 2  2  16 o 0 27.3   2.4   ?    ?   259.544  70.2941      43.6471    70.2941      145.776     -109.706     
1 1 1 2  2  17 o 0 397.5  27.7  ?    ?   946.68   17.1622      585.332    17.1622      100.177     -162.838     
1 1 1 2  2  18 o 0 239.1  16.8  ?    ?   688.249  -134.225     470.294    -134.225     23.7122     45.775       
1 1 1 2  2  19 o 0 115.5  9.9   ?    ?   376.787  -173.478     355.818    -173.478     87.9864     -173.478     
1 1 1 2  2  20 o 0 133.4  11.3  ?    ?   575.08   -95.7364     270.134    -95.7364     113.814     84.2636      
1 1 1 2  2  21 o 0 111    9.6   ?    ?   270.555  -114.932     361.737    -114.932     183.16      -114.932     
1 1 1 2  2  22 o 0 945    77.4  ?    ?   1141.47  87.6447      1020.16    87.6447      275.945     87.6447      
1 1 1 2  2  23 f 1 587.6  40.9  ?    ?   926.483  93.8927      773.337    93.8927      172.37      93.8927      
1 1 1 2  2  24 o 0 23.7   3.2   ?    ?   70.5643  -24.1238     19.84      -24.1238     25.4159     155.876      
1 1 1 2  2  25 o 0 371.4  26    ?    ?   956.633  89.9008      421.875    89.9008      138.779     -90.0992     
1 1 1 2  2  26 o 0 204.5  13.8  ?    ?   430.43   141.227      440.455    141.227      191.306     141.227      
1 1 1 2  2  27 o 0 627.3  43.6  ?    ?   1001.78  -97.4177     669.943    -97.4177     99.4068     -97.4177     
1 1 1 2  2  28 o 0 26.4   5.1   ?    ?   172.128  -72.3264     41.9568    -72.3264     54.2145     107.674      
1 1 1 2  2  29 o 0 125.5  10.8  ?    ?   515.824  -36.2031     229.119    -36.2031     54.017      143.797      
1 1 1 2  2  30 o 0 468.6  35.6  ?    ?   827.04   -112.975     596.213    -112.975     116.924     -112.975     
1 1 1 2  2  31 o 0 230.1  20.2  ?    ?   590.993  -143.502     390.469    -143.502     51.0171     -143.502     
1 1 1 2  2  32 o 0 169.4  14.3  ?    ?   347.003  61.5305      407.506    61.5305      216.059     61.5305      
1 1 1 2  2  33 o 0 23.2   6.1   ?    ?   241.998  -36.2404     40.8099    -36.2404     89.9768     143.76       
1 1 1 2  2  34 o 0 162.2  12    ?    ?   326.637  43.9623      398.744    43.9623      235.174     43.9623      
1 1 1 2  2  35 o 0 67.6   7.1   ?    ?   272.718  -43.0644     210.378    -43.0644     81.4945     -43.0644     
1 1 1 2  2  36 o 0 71.6   7.3   ?    ?   493.678  3.12485      135.93     3.12485      88.9622     -176.875     
1 1 1 2  2  37 o 0 91.8   8.4   ?    ?   272.262  -3.17671     264.61     -3.17671     137.864     -3.17671     
1 1 1 2  2  38 o 0 30.7   6.4   ?    ?   312.447  8.53375      87.8944    8.53375      91.8527     -171.466     
1 1 1 2  2  39 o 0 38.4   7.1   ?    ?   239.558  -89.7967     154.873    -89.7967     20.1454     -89.7967     
1 1 1 2  2  40 o 0 74.7   9.4   ?    ?   341.659  -135.105     230.652    -135.105     47.4186     -135.105     
1 1 1 2  2  41 o 0 4.3    9.1   ?    ?   64.1443  23.7697      16.9503    23.7697      15.6355     -156.23      
1 1 1 2  2  42 o 0 51.1   7.5   ?    ?   304.541  -137.762     171.781    -137.762     22.8835     -137.762     
1 1 1 2  2  43 o 0 11.4   6.7   ?    ?   187.986  -84.3971     50.0307    -84.3971     26.6062     95.6029      
1 1 1 2  3  0  f 1 27.2   5.4   ?    ?   92.3402  9.43099e-14  51.2402    0            18.4146     -180         
1 1 1 2  3  1  o 0 98.4   7.5   ?    ?   525.245  -53.4358     206.974    -53.4358     178.016     126.564      
1 1 1 2  3  3  o 0 213    14.8  ?    ?   522.989  123.296      495.504    123.296      123.552     123.296      
1 1 1 2  3  4  o 0 51.6   3.7   ?    ?   179.595  95.8404      159.964    95.8404      32.4864     95.8404      
1 1 1 2  3  5  o 0 1429   98.4  ?    ?   1685.49  136.963      1136.06    136.963      62.8406     -43.0372     
1 1 1 2  3  6  o 0 91.1   6     ?    ?   540.209  -26.8869     170.438    -26.8869     219.143     153.113      
1 1 1 2  3  7  o 0 89.3   6.8   ?    ?   631.88   157.782      105.671    157.782      351.675     -22.2185     
1 1 1 2  3  8  o 0 2172.8 161.5 ?    ?   1839.97  -22.5022     1552.42    -22.5022     241.934     -22.5022     
1 1 1 2  3  9  o 0 1795.5 146.3 ?    ?   1576.98  -86.0308     1478.37    -86.0308     353.253     -86.0308     
1 1 1 2  3  10 o 0 302.5  24.8  ?    ?   1063.14  133.927      288.595    133.927      417.125     -46.0728     
1 1 1 2  3  11 o 0 46.7   3.4   ?    ?   176.828  -7.7975      128.746    -7.7975      11.4624     -7.7975      
1 1 1 2  3  12 o 0 389.9  29.2  ?    ?   918.676  91.3854      516.458    91.3854      91.6111     -88.6146     
1 1 1 2  3  13 o 0 1029.6 71.2  ?    ?   1217.35  164.994      1091.05    164.994      239.066     164.994      
1 1 1 2  3  14 o 0 57.3   5.1   ?    ?   444.118  -150.523     98.3603    -150.523     211.096     29.4773      
1 1 1 2  3  16 o 0 23.3   2.4   ?    ?   407.203  147.393      46.4695    -32.6074     341.355     -32.6074     
1 1 1 2  3  17 o 0 1222.7 100   ?    ?   1505.31  -167.627     1113.56    -167.627     31.6383     -167.627     
1 1 1 2  3  18 o 0 1046.2 78.1  ?    ?   1325.92  -88.9159     1084.07    -88.9159     139.15      -88.9159     
1 1 1 2  3  19 o 0 12.9   2.3   ?    ?   105.795  112.701      16.4334    -67.2994     91.1221     -67.2994     
1 1 1 2  3  20 o 0 29.8   3.6   ?    ?   355.741  -83.7864     21.3214    -83.7864     214.632     96.2136      
1 1 1 2  3  21 o 0 142.6  10.3  ?    ?   813.235  -176.765     143.807    -176.765     389.591     3.23465      
1 1 1 2  3  22 o 0 257.4  19.6  ?    ?   601.874  61.7203      507.824    61.7203      117.778     61.7203      
1 1 1 2  3  23 o 0 632    51.9  ?    ?   1034.09  25.7544      749.034    25.7544      80.4128     25.7544      
1 1 1 2  3  24 f 1 -1     3.2   ?    ?   204.224  121.386      115.139    -58.6142     245.057     -58.6142     
1 1 1 2  3  25 o 0 508.5  33.2  ?    ?   881.953  -37.7558     630.491    -37.7558     116.348     -37.7558     
1 1 1 2  3  26 o 0 36.1   4.2   ?    ?   276.842  -20.1083     69.9794    -20.1083     89.452      159.892      
1 1 1 2  3  27 o 0 95     7.8   ?    ?   323.122  107.188      246.987    107.188      63.8622     107.188      
1 1 1 2  3  28 o 0 60.4   6.7   ?    ?   204.115  -72.6445     172.379    -72.6445     58.871      -72.6445     
1 1 1 2  3  29 o 0 274.1  23.3  ?    ?   615.02   -171.354     435.78     -171.354     95.8408     -171.354     
1 1 1 2  3  30 o 0 306.3  22    ?    ?   756.178  128.575      426.303    128.575      10.0228     -51.4253     
1 1 1 2  3  31 o 0 808.6  56.3  ?    ?   948.457  -31.8797     841.942    -31.8797     299.438     -31.8797     
1 1 1 2  3  32 o 0 39     6.9   ?    ?   225.929  71.088       117.866    71.088       6.28425     -108.912     
1 1 1 2  3  33 o 0 89.1   10.4  ?    ?   502.693  34.07        154.121    34.07        116.514     -145.93      
1 1 1 2  3  34 o 0 74.9   8.1   ?    ?   478.518  42.074       141.758    42.074       96.9851     -137.926     
1 1 1 2  3  35 o 0 265.6  18.3  ?    ?   882.856  -114.926     313.954    -114.926     101.794     65.0741      
1 1 1 2  3  36 o 0 126    10    ?    ?   505.086  -143.256     253.598    -143.256     24.2929     -143.256     
1 1 1 2  3  37 o 0 52.7   7.1   ?    ?   110.812  -13.962      236.955    -13.962      173.146     -13.962      
1 1 1 2  3  38 o 0 69.8   8.5   ?    ?   287.754  -119.309     248.562    -119.309     83.5414     -119.309     
1 1 1 2  3  39 o 0 54.7   7.5   ?    ?   385.257  -158.768     145.325    -158.768     70.6887     21.2322      
1 1 1 2  3  40 o 0 23.5   5.5   ?    ?   210.925  152.557      100.244    152.557      12.5476     -27.4428     
1 1 1 2  3  41 o 0 37     7.8   ?    ?   186.766  85.1566      168.175    85.1566      73.5614     85.1566      
1 1 1 2  3  42 o 0 5.7    7.5   ?    ?   223.134  -171.452     0.569536   -171.452     102.112     8.54755      
1 1 1 2  3  43 o 0 23.1   7.1   ?    ?   216.649  -67.3455     105.639    -67.3455     17.5449     -67.3455     
1 1 1 2  4  0  f 1 1713.2 180.6 ?    ?   926.353  -3.00957e-14 1359.28    0            658.909     3.19893e-14  
1 1 1 2  4  3  o 0 88     6.6   ?    ?   527.851  50.684       166.959    50.684       212.153     -129.316     
1 1 1 2  4  4  o 0 385.2  28.8  ?    ?   374.616  -94.6451     908.455    -94.6451     638.178     -94.6451     
1 1 1 2  4  5  o 0 1328.7 91.5  ?    ?   1476.76  -77.1575     1214.86    -77.1575     151.278     -77.1575     
1 1 1 2  4  6  o 0 74.3   6.2   ?    ?   349.869  88.4941      219.553    88.4941      32.5176     -91.5059     
1 1 1 2  4  7  o 0 42.9   3.3   ?    ?   138.394  -115.046     109.878    -115.046     11.9257     -115.046     
1 1 1 2  4  8  o 0 2097.7 170.8 ?    ?   1817.55  68.2638      1501.46    68.2638      213.602     68.2638      
1 1 1 2  4  9  o 0 1448.2 99.8  ?    ?   1343.58  142.075      1288.13    142.075      402.288     142.075      
1 1 1 2  4  10 o 0 154.7  11.7  ?    ?   801.094  -168.193     166.093    -168.193     361.94      11.8073      
1 1 1 2  4  12 o 0 242.1  18.2  ?    ?   761.813  170.883      392.133    170.883      138.672     -9.11684     
1 1 1 2  4  13 o 0 1831.2 136.4 ?    ?   1774.4   -30.6973     1320.39    -30.6973     88.1742     -30.6973     
1 1 1 2  4  14 o 0 71.7   5.7   ?    ?   519.132  29.119       109.743    29.119       249.186     -150.881     
1 1 1 2  4  15 o 0 26.6   2.4   ?    ?   358.442  177.986      10.1365    -2.01377     256.627     -2.01377     
1 1 1 2  4  16 o 0 348.5  22.7  ?    ?   841.563  -69.6103     573.107    -69.6103     31.7565     110.39       
1 1 1 2  4  17 o 0 26.1   2.6   ?    ?   29.746   106.721      13.2395    106.721      7.98308     -73.2792     
1 1 1 2  4  19 o 0 44.8   4.4   ?    ?   122.092  171.835      122.48     171.835      36.8859     171.835      
1 1 1 2  4  20 o 0 192.6  13.6  ?    ?   675.96   119.766      343.597    119.766      101.715     -60.234      
1 1 1 2  4  21 o 0 29.2   3.2   ?    ?   480.401  -131.866     43.8637    48.1337      356.887     48.1337      
1 1 1 2  4  22 f 1 1374   95    ?    ?   1520.68  -79.9896     1134.07    -79.9896     157.383     -79.9896     
1 1 1 2  4  23 o 0 249.4  19.2  ?    ?   578.965  -34.6071     493.06     -34.6071     121.026     -34.6071     
1 1 1 2  4  24 f 1 81.9   6.6   ?    ?   153.479  -17.1118     235.705    -17.1118     145.704     -17.1118     
1 1 1 2  4  25 o 0 26.3   4.2   ?    ?   484.458  -41.0888     59.2555    138.911      340.897     138.911      
1 1 1 2  4  26 o 0 114.6  8.9   ?    ?   464.379  156.439      236.933    156.439      28.9965     -23.5612     
1 1 1 2  4  27 o 0 412.3  31.3  ?    ?   644.699  33.0452      620.992    33.0452      258.39      33.0452      
1 1 1 2  4  28 o 0 81     7.8   ?    ?   404.783  170.976      174.168    170.976      49.7432     -9.02425     
1 1 1 2  4  29 o 0 36.9   6.6   ?    ?   501.903  97.2951      15.2038    -82.7049     291.202     -82.7049     
1 1 1 2  4  30 o 0 82.3   7.3   ?    ?   372.96   38.1612      198.239    38.1612      15.8984     -141.839     
1 1 1 2  4  31 o 0 92.9   8.6   ?    ?   266.265  -117.415     268.435    -117.415     116.866     -117.415     
1 1 1 2  4  32 o 0 77.8   8.6   ?    ?   381.6    -85.6167     185.232    -85.6167     23.4853     94.3833      
1 1 1 2  4  33 o 0 46.5   7.3   ?    ?   376.099  -111.631     102.072    -111.631     88.7287     68.3689      
1 1 1 2  4  34 o 0 11.8   7     ?    ?   260.866  -148.491     22.8564    31.5089      152.439     31.5089      
1 1 1 2  4  35 o 0 23.4   6.5   ?    ?   146.127  6.29243      71.0566    6.29243      2.53522     6.29243      
1 1 1 2  4  36 o 0 51.2   6.6   ?    ?   263.38   -139.431     164.646    -139.431     45.5654     -139.431     
1 1 1 2  4  37 o 0 84     8.9   ?    ?   269.481  165.422      303.792    165.422      149.234     165.422      
1 1 1 2  4  38 o 0 48.3   9.1   ?    ?   356.907  -47.7799     136.795    -47.7799     67.0913     132.22       
1 1 1 2  4  39 o 0 33.3   7.3   ?    ?   399.511  54.3521      52.5384    54.3521      170.627     -125.648     
1 1 1 2  4  40 o 0 35.8   5.9   ?    ?   270.023  89.7224      131.863    89.7224      12.0054     -90.2776     
1 1 1 2  4  41 o 0 34     7.6   ?    ?   99.4712  152.568      179.093    152.568      129.448     152.568      
1 1 1 2  4  42 o 0 -9.5   6.9   ?    ?   61.0781  -88.6745     6.53987    91.3255      34.5504     91.3255      
1 1 1 2  4  43 o 0 7      7     ?    ?   91.1428  -51.7678     45.6929    -51.7678     8.75525     -51.7678     
1 1 1 2  5  0  o 0 601.6  55    ?    ?   1153.1   -180         824.596    180          60.1312     1.1465e-13   
1 1 1 2  5  3  o 0 114.2  8.6   ?    ?   567.702  -103.191     229.019    -103.191     186.601     76.8087      
1 1 1 2  5  4  f 1 1354.4 100.8 ?    ?   1230.75  -4.80788     1421.09    -4.80788     529.18      -4.80788     
1 1 1 2  5  5  o 0 1064.3 86.7  ?    ?   1024.87  -38.551      1270.6     -38.551      543.2       -38.551      
1 1 1 2  5  6  o 0 165.4  13.6  ?    ?   672.737  -177.75      289.51     -177.75      186.84      2.2496       
1 1 1 2  5  7  o 0 67.8   5.7   ?    ?   427.325  -11.2582     151.302    -11.2582     150.912     168.742      
1 1 1 2  5  8  o 0 1437.8 107   ?    ?   1350.31  -168.013     1268.06    -168.013     380.677     -168.013     
1 1 1 2  5  9  o 0 1979   136.3 ?    ?   1647.17  53.6499      1444.89    53.6499      363.393     53.6499      
1 1 1 2  5  13 o 0 675.2  62    ?    ?   1133.38  24.3869      758.303    24.3869      23.3709     -155.613     
1 1 1 2  5  14 o 0 124.2  8.8   ?    ?   529.801  -157.338     264.951    -157.338     98.7685     22.6618      
1 1 1 2  5  15 o 0 31.5   3     ?    ?   248.026  -83.8827     71.3642    -83.8827     106.761     96.1173      
1 1 1 2  5  17 o 0 547.4  38    ?    ?   1094.38  -95.6035     688.444    -95.6035     86.7448     84.3965      
1 1 1 2  5  18 o 0 286.8  21.7  ?    ?   533.684  90.0422      651.395    90.0422      276.473     90.0422      
1 1 1 2  5  19 o 0 16.7   2.3   ?    ?   44.2882  -94.0671     1.07186    -94.0671     28.0585     85.9329      
1 1 1 2  5  20 o 0 13     2.4   ?    ?   123.552  11.4729      16.774     -168.527     97.6045     -168.527     
1 1 1 2  5  21 o 0 214.2  15.2  ?    ?   535.955  -146.622     464.051    -146.622     117.204     -146.622     
1 1 1 2  5  22 o 0 27     3.4   ?    ?   463.615  -157.306     46.4422    22.6943      342.984     22.6943      
1 1 1 2  5  23 o 0 26.4   3.8   ?    ?   262.591  -78.6674     30.5606    -78.6674     137.074     101.333      
1 1 1 2  5  24 f 1 91.1   8.5   ?    ?   291.461  -99.87       255.946    -99.87       86.1241     -99.87       
1 1 1 2  5  25 f 1 59.2   5.4   ?    ?   455.356  25.5698      89.036     25.5698      173.357     -154.43      
1 1 1 2  5  26 o 0 582.2  43.8  ?    ?   1141.84  -133.758     545.868    -133.758     104.023     46.2424      
1 1 1 2  5  27 o 0 334.1  25.5  ?    ?   824.231  157.882      422.993    157.882      37.8193     -22.1184     
1 1 1 2  5  28 o 0 33.2   5.8   ?    ?   185.142  -41.0427     70.2701    -41.0427     31.5477     138.957      
1 1 1 2  5  29 o 0 210.9  14.6  ?    ?   856.428  144.925      210.127    144.925      258.149     -35.0751     
1 1 1 2  5  30 o 0 1213.3 78.6  ?    ?   1467.31  10.9185      867.319    10.9185      20.8758     10.9185      
1 1 1 2  5  31 o 0 132.8  10.9  ?    ?   502.227  47.6354      253.377    47.6353      30.9626     -132.365     
1 1 1 2  5  32 o 0 35.6   6.2   ?    ?   41.973   31.4528      47.451     31.4528      24.615      31.4528      
1 1 1 2  5  33 o 0 95.7   9.6   ?    ?   395.311  -79.475      233.597    -79.475      34.0838     -79.475      
1 1 1 2  5  34 o 0 23.7   7.3   ?    ?   248.097  154.494      60.2924    154.494      58.0076     -25.5063     
1 1 1 2  5  35 o 0 355.2  25.4  ?    ?   1079.24  143.25       331.315    143.25       172.27      -36.7503     
1 1 1 2  5  36 o 0 50.9   7.1   ?    ?   249.944  16.075       166.561    16.075       54.0971     16.075       
1 1 1 2  5  37 o 0 22.2   6.6   ?    ?   250.822  159.801      68.4375    159.801      74.7453     -20.1986     
1 1 1 2  5  38 o 0 65.4   8.1   ?    ?   455.21   -98.2766     146.256    -98.2766     112.598     81.7234      
1 1 1 2  5  39 o 0 93.9   9.7   ?    ?   527.811  -9.23218     185.252    -9.23218     108.265     170.768      
1 1 1 2  5  40 o 0 53.8   7     ?    ?   234.572  51.2708      218.447    51.2708      97.446      51.2708      
1 1 1 2  5  41 o 0 33.7   6.5   ?    ?   258.016  -124.498     131.122    -124.498     2.89882     -124.498     
1 1 1 2  5  42 f 1 8.6    7.9   ?    ?   182.286  -7.58557     27.5949    -7.58557     55.4402     172.414      
1 1 1 2  5  43 o 0 -1.1   7.1   ?    ?   147.943  -171.638     8.1449     -171.638     51.5685     8.36155      
1 1 1 2  6  0  o 0 54.7   5.2   ?    ?   379.038  180          236.965    180          54.0302     -3.37881e-13 
1 1 1 2  6  1  o 0 244    17    ?    ?   287.821  -67.7559     729.043    -67.7559     511.539     -67.7559     
1 1 1 2  6  3  o 0 344.8  23.9  ?    ?   1155.59  -117.349     325.035    -117.349     510.672     62.6514      
1 1 1 2  6  4  o 0 1158   94.5  ?    ?   1450.83  -74.209      1071.02    -74.209      30.6371     -74.209      
1 1 1 2  6  5  o 0 1307.1 119.1 ?    ?   1753.13  104.849      972.84     104.849      276.686     -75.1513     
1 1 1 2  6  6  f 1 49.3   4.7   ?    ?   470.326  -167.719     51.2742    -167.719     281.649     12.281       
1 1 1 2  6  8  o 0 490.6  33.9  ?    ?   1186.01  -109.356     480.919    -109.356     297.421     70.6436      
1 1 1 2  6  9  o 0 1329.5 85.7  ?    ?   1213.41  24.7234      1275.76    24.7234      481.3       24.7234      
1 1 1 2  6  12 o 0 395.4  27.4  ?    ?   1014.24  -62.971      481.501    -62.971      216.661     117.029      
1 1 1 2  6  13 o 0 569.6  42.7  ?    ?   934.528  177.131      766.295    177.131      125.709     177.131      
1 1 1 2  6  14 o 0 72.6   5.8   ?    ?   201.55   113.908      269.63     113.908      125.027     113.908      
1 1 1 2  6  16 o 0 14.5   2.1   ?    ?   233.597  105.723      38.2113    -74.2766     203.744     -74.2766     
1 1 1 2  6  17 o 0 415.3  31.3  ?    ?   866.286  71.2721      650.239    71.2721      40.9263     71.2721      
1 1 1 2  6  18 o 0 1027.8 66.5  ?    ?   1248.98  -168.411     1109.71    -168.411     238.478     -168.411     
1 1 1 2  6  19 o 0 84.6   6     ?    ?   508.664  -89.1056     165.809    -89.1056     167.938     90.8944      
1 1 1 2  6  20 o 0 89.3   6.3   ?    ?   360.021  -88.357      256.725    -88.357      22.8525     -88.357      
1 1 1 2  6  21 o 0 517.3  36    ?    ?   1092.32  -126.622     588.125    -126.622     113.827     53.3777      
1 1 1 2  6  22 o 0 559.9  38.9  ?    ?   888.233  79.5812      753.027    79.5812      182.826     79.5812      
1 1 1 2  6  23 o 0 308.5  23.4  ?    ?   834.703  123.234      434.692    123.234      94.5196     -56.7663     
1 1 1 2  6  24 o 0 92.7   7.9   ?    ?   148.303  69.0047      260.772    69.0047      174.724     69.0047      
1 1 1 2  6  25 f 1 533.6  40.2  ?    ?   1164.34  125.043      488.294    125.043      178.173     -54.9572     
1 1 1 2  6  26 o 0 496.1  41    ?    ?   776.995  16.2638      647.967    16.2638      208.63      16.2638      
1 1 1 2  6  27 o 0 35.7   5.6   ?    ?   326.757  -77.9667     53.9982    -77.9667     127.508     102.033      
1 1 1 2  6  28 o 0 97.7   9     ?    ?   439.066  18.3523      199.94     18.3523      39.9917     -161.648     
1 1 1 2  6  29 o 0 262.5  19    ?    ?   534.222  -147.741     452.325    -147.741     162.042     -147.741     
1 1 1 2  6  30 o 0 226.7  16.7  ?    ?   552.218  132.348      405.814    132.348      89.2045     132.348      
1 1 1 2  6  31 o 0 841.4  58.5  ?    ?   1015.07  -40.6809     817.527    -40.6809     246.283     -40.6809     
1 1 1 2  6  32 o 0 74.3   7.6   ?    ?   265.728  179.112      220.989    179.112      77.268      179.112      
1 1 1 2  6  33 o 0 99.6   10.8  ?    ?   567.465  119.163      163.333    119.163      121.41      -60.8369     
1 1 1 2  6  34 o 0 205.5  18.4  ?    ?   696.301  19.208       310.622    19.208       19.5126     -160.792     
1 1 1 2  6  35 o 0 67.5   11.6  ?    ?   314.5    39.3661      194.094    39.3661      50.1851     39.3661      
1 1 1 2  6  36 o 0 30.2   9.4   ?    ?   174.319  -33.2108     109.914    -33.2108     28.3047     -33.2108     
1 1 1 2  6  37 o 0 28     7.9   ?    ?   248.8    -40.3989     103.361    -40.3989     40.7497     139.601      
1 1 1 2  6  38 o 0 16.9   5.9   ?    ?   203.985  -77.295      57.2146    -77.295      58.4249     102.705      
1 1 1 2  6  39 o 0 94.2   9.6   ?    ?   374.935  93.3624      270.274    93.3624      67.3557     93.3624      
1 1 1 2  6  40 o 0 29.5   7.6   ?    ?   225.627  -156.985     122.426    -156.985     6.62834     -156.985     
1 1 1 2  6  41 o 0 7.6    5.8   ?    ?   68.778   -123.976     25.8233    -123.976     8.18675     56.0241      
1 1 1 2  6  42 o 0 5.2    6.6   ?    ?   119.763  -167.992     22.4812    -167.992     31.9469     12.0079      
1 1 1 2  7  0  o 0 1796.7 164   ?    ?   1362.03  180          1386.86    180          361.782     -180         
1 1 1 2  7  1  o 0 68.4   4.5   ?    ?   455.54   153.331      144.766    153.331      193.586     -26.6692     
1 1 1 2  7  3  f 1 164.1  12.3  ?    ?   678.831  9.47362      290.998    9.47362      200.697     -170.526     
1 1 1 2  7  4  o 0 127.9  10.6  ?    ?   66.1024  -8.20239     266.728    -8.20239     219.139     -8.20239     
1 1 1 2  7  5  o 0 303.2  32.1  ?    ?   852.506  -140.582     422.801    -140.582     144.006     39.4182      
1 1 1 2  7  6  o 0 108.2  10.1  ?    ?   453.68   -82.254      254.451    -82.254      45.5174     97.746       
1 1 1 2  7  8  o 0 391.6  27.1  ?    ?   961.51   -88.2131     487.92     -88.2131     142.485     91.7869      
1 1 1 2  7  9  o 0 461.2  29.9  ?    ?   966.372  -155.114     579.549    -155.114     51.7576     24.8862      
1 1 1 2  7  10 o 0 62.7   4.2   ?    ?   285.075  -8.09924     191.986    -8.09924     4.85895     171.901      
1 1 1 2  7  11 f 1 41.9   3.8   ?    ?   369.924  -172.654     67.5983    -172.654     186.197     7.34552      
1 1 1 2  7  12 o 0 84.4   6.6   ?    ?   376.651  -87.7088     230.541    -87.7088     27.4312     92.2912      
1 1 1 2  7  13 o 0 456.4  31.7  ?    ?   871.144  -178.722     656.453    -178.722     62.6645     -178.722     
1 1 1 2  7  14 o 0 266.2  18.6  ?    ?   661.408  78.3304      539.045    78.3304      67.3996     78.3304      
1 1 1 2  7  15 o 0 20.6   2.4   ?    ?   103.38   -158.542     16.4775    -158.542     56.7905     21.458       
1 1 1 2  7  16 o 0 37.1   3.8   ?    ?   221.076  8.70848      105.299    8.70848      50.3085     -171.292     
1 1 1 2  7  17 o 0 438.7  36.2  ?    ?   750.7    -54.484      756.595    -54.484      232.232     -54.484      
1 1 1 2  7  18 o 0 250.6  16.5  ?    ?   483.445  -151.243     571.625    -151.243     253.769     -151.243     
1 1 1 2  7  19 o 0 72.2   5.2   ?    ?   388      83.1324      187.747    83.1324      65.0121     -96.8676     
1 1 1 2  7  20 o 0 38.6   3.5   ?    ?   394.101  140.887      48.4559    140.887      205.716     -39.1131     
1 1 1 2  7  21 o 0 247    16.4  ?    ?   769.254  62.3457      382.693    62.3457      108.09      -117.654     
1 1 1 2  7  22 f 1 195.7  13.2  ?    ?   715.63   96.7784      308.466    96.7784      146.457     -83.2216     
1 1 1 2  7  23 o 0 107.9  8.4   ?    ?   425.89   -27.9973     244.781    -27.9973     3.82625     152.003      
1 1 1 2  7  24 o 0 107.8  9.9   ?    ?   223.675  166.67       311.264    166.67       182.014     166.67       
1 1 1 2  7  25 o 0 67.3   9.3   ?    ?   322.15   -36.0398     169.16     -36.0398     14.4084     143.96       
1 1 1 2  7  26 o 0 529.9  43.9  ?    ?   895.468  -171.808     617.2      -171.808     115.5       -171.808     
1 1 1 2  7  27 o 0 129.4  13.2  ?    ?   467.84   -146.468     261.227    -146.468     3.14924     -146.468     
1 1 1 2  7  28 o 0 39.3   5.5   ?    ?   217.862  108.54       99.9404    108.54       19.6624     -71.46       
1 1 1 2  7  29 o 0 164.2  12.6  ?    ?   643.301  -73.8531     250.44     -73.8531     118.701     106.147      
1 1 1 2  7  30 o 0 122.8  10.1  ?    ?   364.58   46.6506      300.286    46.6506      92.6489     46.6506      
1 1 1 2  7  31 o 0 183.7  14    ?    ?   396      158.47       408.513    158.47       191.578     158.47       
1 1 1 2  7  32 o 0 71     7.6   ?    ?   343.864  -73.0769     179.726    -73.0769     5.05103     106.923      
1 1 1 2  7  33 o 0 18.6   6.2   ?    ?   169.059  53.251       36.7701    53.251       47.5189     -126.749     
1 1 1 2  7  34 o 0 283.3  22.3  ?    ?   835.461  -26.3807     358.027    -26.3807     35.5936     153.619      
1 1 1 2  7  35 o 0 99.1   12.1  ?    ?   478.193  -66.3208     206.574    -66.3208     10.8803     113.679      
1 1 1 2  7  36 o 0 30     10.7  ?    ?   217.722  121.179      91.7422    121.179      9.56443     -58.8214     
1 1 1 2  7  37 o 0 0.2    6.6   ?    ?   82.7353  -99.4312     12.9346    80.5688      60.5682     80.5688      
1 1 1 2  7  38 o 0 123.3  12.3  ?    ?   472.003  13.8617      288.976    13.8617      22.9841     13.8617      
1 1 1 2  7  39 o 0 102.6  9.4   ?    ?   487.752  167.601      233.892    167.601      28.5413     -12.3993     
1 1 1 2  7  40 f 1 46     7.3   ?    ?   71.1997  -120.26      211.639    -120.26      175.401     -120.26      
1 1 1 2  7  41 o 0 34.7   7.6   ?    ?   271.827  76.0097      124.476    76.0097      9.1776      -103.99      
1 1 1 2  7  42 o 0 40.3   8.3   ?    ?   259.201  113.093      167.697    113.093      61.3063     113.093      
1 1 1 2  8  0  o 0 1142.8 120.8 ?    ?   1274.56  180          1026.59    180          136.663     -180         
1 1 1 2  8  1  o 0 973.3  67.2  ?    ?   1470.68  155.98       855.878    155.98       159.541     -24.0204     
1 1 1 2  8  2  o 0 66.3   5.1   ?    ?   474.201  119.099      114.85     119.099      209.093     -60.9013     
1 1 1 2  8  3  o 0 397.3  29.7  ?    ?   989.963  59.7766      492.88     59.7766      176.893     -120.223     
1 1 1 2  8  4  o 0 1623.9 120.8 ?    ?   1226.52  67.8752      1510.86    67.8752      688.074     67.8752      
1 1 1 2  8  7  o 0 53.2   3.9   ?    ?   403.547  -115.617     97.4503    -115.617     168.13      64.3826      
1 1 1 2  8  8  o 0 132.7  9.3   ?    ?   271.444  -88.7282     422.785    -88.7282     234.212     -88.7282     
1 1 1 2  8  9  o 0 805.6  55.7  ?    ?   1081.54  161.065      948.882    161.065      201.016     161.065      
1 1 1 2  8  10 o 0 243.4  15.8  ?    ?   609.042  123.506      487.26     123.506      68.0418     123.506      
1 1 1 2  8  12 o 0 883.4  65.9  ?    ?   1382.88  145.994      803.287    145.994      139.37      -34.0058     
1 1 1 2  8  13 o 0 341    23.8  ?    ?   719.889  33.1447      636.953    33.1447      123.569     33.1447      
1 1 1 2  8  14 o 0 116.5  9.8   ?    ?   239.717  -31.4807     412.682    -31.4807     242.746     -31.4807     
1 1 1 2  8  16 f 1 156    13.1  ?    ?   382.615  6.10137      457.353    6.10137      190.517     6.10137      
1 1 1 2  8  17 f 1 266    18.7  ?    ?   656.381  -88.7733     500.318    -88.7733     71.2056     -88.7733     
1 1 1 2  8  18 o 0 44.1   3.6   ?    ?   265.276  20.5533      125.232    20.5533      47.9451     -159.447     
1 1 1 2  8  19 o 0 47.5   3.8   ?    ?   351.474  94.2012      108.528    94.2012      118.78      -85.7988     
1 1 1 2  8  20 o 0 445    29    ?    ?   881.134  -138.638     623.357    -138.638     59.2497     -138.638     
1 1 1 2  8  21 o 0 94.3   7.3   ?    ?   287.08   55.0873      291.476    55.0873      107.744     55.0873      
1 1 1 2  8  22 o 0 92.1   6.8   ?    ?   421.847  38.019       222.738    38.019       44.1156     -141.981     
1 1 1 2  8  23 o 0 238.8  16    ?    ?   718.856  -120.969     352.793    -120.969     63.6954     59.0306      
1 1 1 2  8  24 o 0 33.1   4.8   ?    ?   97.5967  -149.35      51.8477    -149.35      4.12708     30.6498      
1 1 1 2  8  25 o 0 54     6.3   ?    ?   238.307  83.1216      145.908    83.1216      11.1266     83.1216      
1 1 1 2  8  26 o 0 557.8  46.4  ?    ?   1179.14  92.962       488.029    92.962       167.705     -87.038      
1 1 1 2  8  27 f 1 447.8  31.7  ?    ?   466.398  -114.499     734.239    -114.499     479.509     -114.499     
1 1 1 2  8  28 o 0 7.8    5.1   ?    ?   138.822  -135.441     36.5126    44.559       112.166     44.559       
1 1 1 2  8  29 o 0 245    17.9  ?    ?   758.415  -41.9234     325.426    -41.9234     111.072     138.077      
1 1 1 2  8  30 o 0 111.1  9.4   ?    ?   207.272  -89.9384     326.984    -89.9384     209.787     -89.9384     
1 1 1 2  8  32 o 0 47.3   6.4   ?    ?   90.5511  143.227      137.844    143.227      92.11       143.227      
1 1 1 2  8  33 o 0 85.7   8.4   ?    ?   421.976  -112.672     202.853    -112.672     1.29276     -112.672     
1 1 1 2  8  34 o 0 28.7   7.8   ?    ?   335.185  -150.681     52.7582    -150.681     104.071     29.3188      
1 1 1 2  8  35 f 1 105.9  11.2  ?    ?   709.621  -64.785      122.617    -64.785      197.051     115.215      
1 1 1 2  8  36 o 0 17.2   7.8   ?    ?   125.322  170.413      58.5598    170.413      13.3187     -9.58702     
1 1 1 2  8  37 o 0 22.4   6.9   ?    ?   211.858  124.867      88.371     124.867      32.7895     -55.1334     
1 1 1 2  8  38 o 0 32.6   6.7   ?    ?   386.844  124.956      56.9509    124.956      159.614     -55.044      
1 1 1 2  8  39 o 0 9.5    5.6   ?    ?   96.7752  -39.6394     30.1376    -39.6394     21.5929     140.361      
1 1 1 2  8  40 o 0 79.1   10.9  ?    ?   408.716  -8.80676     209.823    -8.80676     4.95461     -8.80676     
1 1 1 2  8  41 o 0 8.8    6.7   ?    ?   66.0176  -59.4208     39.6717    -59.4208     9.23274     -59.4208     
1 1 1 2  8  42 o 0 20.6   8.6   ?    ?   210.549  73.9572      87.132     73.9572      1.25374     73.9572      
1 1 1 2  9  0  o 0 106.1  14.3  ?    ?   297.684  -2.49232e-14 301.893    0            94.8208     5.4428e-14   
1 1 1 2  9  1  f 1 49.6   4.3   ?    ?   294.267  108.496      133.849    108.496      68.356      -71.5037     
1 1 1 2  9  3  o 0 47.9   4.1   ?    ?   360.347  85.769       97.9426    85.769       145.798     -94.231      
1 1 1 2  9  5  o 0 780.5  58.2  ?    ?   1157.23  -159.925     839.4      -159.925     68.7773     -159.925     
1 1 1 2  9  6  o 0 71.2   5.1   ?    ?   538.91   144.708      97.7731    144.708      280.377     -35.2917     
1 1 1 2  9  7  o 0 253.4  19.1  ?    ?   594.193  -146.955     522.02     -146.954     107.622     -146.954     
1 1 1 2  9  8  o 0 110.4  7.8   ?    ?   488.743  99.8758      253.28     99.8758      85.6429     -80.1242     
1 1 1 2  9  9  o 0 1105.4 71.3  ?    ?   1350.78  80.1362      1052.29    80.1362      120.669     80.1362      
1 1 1 2  9  12 o 0 68.9   5.5   ?    ?   439.808  -79.6652     164.151    -79.6652     149.701     100.335      
1 1 1 2  9  13 o 0 144.5  12.1  ?    ?   568.46   42.3219      322.649    42.3219      80.572      -137.678     
1 1 1 2  9  14 o 0 145.5  12.2  ?    ?   515.33   177.14       356.276    177.14       6.89879     -2.85984     
1 1 1 2  9  16 f 1 225.4  15.9  ?    ?   728.307  -157.591     380.922    -157.591     95.796      22.4094      
1 1 1 2  9  17 o 0 117.8  8.7   ?    ?   184.852  -15.5517     388.107    -15.5517     267.232     -15.5517     
1 1 1 2  9  18 o 0 308.8  21.7  ?    ?   776.218  107.563      491.12     107.563      11.961      -72.4365     
1 1 1 2  9  19 o 0 18     2.4   ?    ?   175.414  13.2903      1.79239    13.2903      110.814     -166.71      
1 1 1 2  9  20 o 0 224.3  17.1  ?    ?   555.702  -87.3483     459.688    -87.3483     102.852     -87.3483     
1 1 1 2  9  21 o 0 525.9  34.3  ?    ?   861.724  77.4331      720.905    77.4331      173.621     77.4331      
1 1 1 2  9  22 o 0 87.7   6.6   ?    ?   477.151  16.975       166.347    16.975       111.395     -163.025     
1 1 1 2  9  23 o 0 80.2   6.8   ?    ?   493.095  -140.462     134.84     -140.462     149.489     39.5378      
1 1 1 2  9  24 o 0 107.8  11.1  ?    ?   441.881  72.4347      229.374    72.4347      22.0753     -107.565     
1 1 1 2  9  25 o 0 52.9   6.8   ?    ?   372.787  96.6607      103.046    96.6607      105.691     -83.3393     
1 1 1 2  9  26 o 0 699.8  48.9  ?    ?   1267.27  42.5727      576.014    42.5727      123.206     -137.427     
1 1 1 2  9  27 o 0 135.8  11    ?    ?   520.977  -11.0791     245.675    -11.0791     40.6294     168.921      
1 1 1 2  9  28 o 0 74.5   7.7   ?    ?   197.581  -74.6278     229.557    -74.6278     115.969     -74.6278     
1 1 1 2  9  29 o 0 121.7  9.7   ?    ?   454.778  49.7547      255.394    49.7547      4.31683     -130.245     
1 1 1 2  9  30 o 0 107.9  9.1   ?    ?   509.307  -120.587     201.292    -120.587     78.7101     59.4131      
1 1 1 2  9  31 f 1 79.9   7.8   ?    ?   215.657  133.997      250.607    133.997      134.508     133.997      
1 1 1 2  9  32 o 0 44.5   6.3   ?    ?   342.551  98.0945      107.785    98.0945      63.9083     -81.9055     
1 1 1 2  9  33 o 0 92.4   9.1   ?    ?   452.828  -167.932     204.451    -167.932     10.2103     12.0677      
1 1 1 2  9  34 f 1 170.2  15.7  ?    ?   321.601  -74.6407     409.687    -74.6407     262.792     -74.6407     
1 1 1 2  9  35 o 0 61.6   10.3  ?    ?   269.654  33.3338      188.664    33.3338      62.2019     33.3338      
1 1 1 2  9  36 o 0 7.3    6     ?    ?   122.287  -171.363     7.02615    -171.363     63.9956     8.63651      
1 1 1 2  9  37 o 0 49.2   7.7   ?    ?   147.437  53.281       234.043    53.281       150.156     53.281       
1 1 1 2  9  38 o 0 9.3    6.5   ?    ?   152.549  -53.409      24.1412    -53.409      58.7984     126.591      
1 1 1 2  9  39 o 0 10.6   6.1   ?    ?   182.025  -3.61713     27.3754    -3.61713     66.5604     176.383      
1 1 1 2  9  40 o 0 30.3   8.3   ?    ?   286.934  130.126      99.3765    130.126      43.4268     -49.874      
1 1 1 2  9  41 o 0 7.8    7.1   ?    ?   88.5156  -76.8263     37.8126    -76.8263     2.71228     103.174      
1 1 1 2  9  42 o 0 19.9   7.2   ?    ?   179.54   128.592      99.7208    128.592      27.0008     128.592      
1 1 1 2  10 0  o 0 633.3  82.2  ?    ?   836.433  180          802.043    180          187.887     180          
1 1 1 2  10 1  o 0 177.1  16.3  ?    ?   762.239  -84.505      264.875    -84.505      290.107     95.495       
1 1 1 2  10 2  o 0 29.5   2.7   ?    ?   193.598  -20.9428     55.1908    -20.9428     84.5837     159.057      
1 1 1 2  10 3  o 0 159.5  11.2  ?    ?   776.297  153.107      209.201    153.107      346.695     -26.8928     
1 1 1 2  10 4  o 0 299.8  22.5  ?    ?   734.97   -17.7759     526.674    -17.7759     4.4673      -17.7759     
1 1 1 2  10 5  o 0 69.3   5.9   ?    ?   339.502  0.150886     200.805    0.150886     38.6488     -179.849     
1 1 1 2  10 7  o 0 34.4   2.7   ?    ?   219.394  -82.6392     77.047     -82.6392     75.6349     97.3608      
1 1 1 2  10 8  o 0 171.9  12.1  ?    ?   636.721  176.176      320.49     176.176      119.881     -3.82355     
1 1 1 2  10 9  o 0 609.3  39.5  ?    ?   1146.93  22.809       677.784    22.809       110.693     -157.191     
1 1 1 2  10 10 o 0 221.3  14.4  ?    ?   844.522  -12.1817     327.843    -12.1817     279.221     167.818      
1 1 1 2  10 11 o 0 38.9   3.1   ?    ?   376.877  142.659      63.5043    142.659      205.767     -37.3409     
1 1 1 2  10 12 o 0 192.7  17.8  ?    ?   797.722  -33.5151     289.807    -33.5151     276.591     146.485      
1 1 1 2  10 13 o 0 896.8  73.3  ?    ?   1161.2   158.7        1035.28    158.7        216.201     158.7        
1 1 1 2  10 14 o 0 79.8   7     ?    ?   365.456  122.642      241.147    122.642      14.848      -57.3577     
1 1 1 2  10 15 o 0 14.4   2     ?    ?   88.3827  82.7969      7.10473    -97.2031     65.169      -97.2031     
1 1 1 2  10 16 f 1 157.6  10.5  ?    ?   397.037  88.8571      424.282    88.8571      164.975     88.8571      
1 1 1 2  10 17 o 0 1555.5 107.4 ?    ?   1685.33  161.862      1161.87    161.862      67.6996     161.862      
1 1 1 2  10 18 o 0 991    68.5  ?    ?   1312.64  -103.681     946.258    -103.681     101.808     -103.681     
1 1 1 2  10 19 o 0 190.1  13.6  ?    ?   803.382  -10.9398     251.351    -10.9398     260.445     169.06       
1 1 1 2  10 20 o 0 163.6  11.1  ?    ?   361.003  111.485      435.737    111.485      205.732     111.485      
1 1 1 2  10 21 o 0 759    49.3  ?    ?   1347.49  52.1256      624.451    52.1256      162.862     -127.874     
1 1 1 2  10 22 o 0 571.7  37.3  ?    ?   1086.14  3.95462      577.9      3.95462      51.1484     -176.045     
1 1 1 2  10 23 o 0 189    14.7  ?    ?   573.124  35.9312      336.309    35.9312      8.52322     35.9312      
1 1 1 2  10 24 o 0 27.2   4.5   ?    ?   80.4469  36.7569      28.7263    36.7569      16.6761     -143.243     
1 1 1 2  10 25 o 0 421.8  32.3  ?    ?   1001.74  -51.0768     435.46     -51.0768     120.828     128.923      
1 1 1 2  10 26 o 0 248.4  18.4  ?    ?   611.799  -94.3126     402.048    -94.3126     67.2762     -94.3126     
1 1 1 2  10 27 o 0 188.9  14.5  ?    ?   299.289  48.7738      441.28     48.7738      278.166     48.7738      
1 1 1 2  10 28 o 0 57.7   6.8   ?    ?   160.021  95.178       182.179    95.178       90.0033     95.178       
1 1 1 2  10 29 o 0 128.4  10.9  ?    ?   598.086  -30.1053     194.283    -30.1053     144.444     149.895      
1 1 1 2  10 30 o 0 33.3   6.1   ?    ?   375.575  -6.83406     39.009     -6.83406     165.769     173.166      
1 1 1 2  10 31 o 0 292.6  20.4  ?    ?   602.689  -85.8387     484.003    -85.8387     178.613     -85.8387     
1 1 1 2  10 32 o 0 20.2   5.7   ?    ?   91.1657  27.6641      40.2111    27.6641      5.10912     -152.336     
1 1 1 2  10 33 o 0 29.9   6.6   ?    ?   105.564  -32.9147     90.5421    -32.9147     40.9074     -32.9147     
1 1 1 2  10 34 f 1 64.3   8.2   ?    ?   486.264  75.7421      118.519    75.7421      101.79      -104.258     
1 1 1 2  10 35 f 1 80     8.7   ?    ?   577.779  145.285      134.508    145.285      198.202     -34.715      
1 1 1 2  10 36 o 0 18.9   7.4   ?    ?   109.098  -170.421     81.658     -170.421     18.8024     -170.421     
1 1 1 2  10 37 o 0 51.4   7.8   ?    ?   244.022  -65.0347     203.961    -65.0347     66.2242     -65.0347     
1 1 1 2  10 38 o 0 50.7   9.1   ?    ?   359.8    -98.2934     144.386    -98.2934     49.6915     81.7066      
1 1 1 2  10 39 o 0 46.5   10.1  ?    ?   307.557  83.4873      151.85     83.4873      5.62558     -96.5127     
1 1 1 2  10 40 o 0 -0.7   6.3   ?    ?   170.664  -164.88      22.71      15.1201      106.987     15.1201      
1 1 1 2  10 41 o 0 8.4    8.3   ?    ?   127.905  167.984      53.0431    167.984      0.268567    167.984      
1 1 1 2  11 1  o 0 58.1   5     ?    ?   373.479  -24.4296     144.116    -24.4296     126.424     155.57       
1 1 1 2  11 2  o 0 15.3   2     ?    ?   198.894  26.8922      30.7817    -153.108     173.768     -153.108     
1 1 1 2  11 3  o 0 65.6   5.7   ?    ?   573.197  155.787      56.2684    155.787      352.702     -24.2131     
1 1 1 2  11 4  o 0 381.6  26.5  ?    ?   424.684  -52.1802     856.946    -52.1802     556.175     -52.1802     
1 1 1 2  11 5  o 0 441.2  30.6  ?    ?   834.267  -63.2534     680.938    -63.2534     94.3178     -63.2534     
1 1 1 2  11 7  o 0 65.3   5.2   ?    ?   537.304  -50.1875     86.7483    -50.1875     277.368     129.813      
1 1 1 2  11 8  o 0 107.9  7.7   ?    ?   570.294  -164.314     222.715    -164.314     190.675     15.6861      
1 1 1 2  11 9  o 0 95.9   6.9   ?    ?   153.88   73.8897      341.786    73.8896      230.96      73.8896      
1 1 1 2  11 10 o 0 56.9   4     ?    ?   264.288  41.9821      196.12     41.9821      7.00049     41.9821      
1 1 1 2  11 12 o 0 316.9  29    ?    ?   1021.45  86.5764      383.001    86.5764      338.27      -93.4236     
1 1 1 2  11 13 o 0 344    28.4  ?    ?   696.06   -169.385     646.483    -169.385     158.423     -169.385     
1 1 1 2  11 14 o 0 407.2  33.5  ?    ?   752.823  8.98491      667.188    8.98491      172.103     8.98491      
1 1 1 2  11 15 o 0 23.4   2.4   ?    ?   141.045  -84.8624     31.9167    -84.8624     60.5453     95.1376      
1 1 1 2  11 16 o 0 582.1  37.8  ?    ?   1026.24  76.8337      716.101    76.8337      48.9133     76.8337      
1 1 1 2  11 17 o 0 921.7  63.8  ?    ?   1402.17  27.3219      827.727    27.3219      75.8424     -152.678     
1 1 1 2  11 18 o 0 768.4  53.3  ?    ?   1384.97  -39.164      683.715    -39.164      200.409     140.836      
1 1 1 2  11 19 o 0 79     6.3   ?    ?   333.466  -164.288     225.834    -164.288     12.8407     -164.288     
1 1 1 2  11 20 o 0 462.8  30.2  ?    ?   1040.61  58.791       490.658    58.791       119.181     -121.209     
1 1 1 2  11 21 o 0 750.3  48.8  ?    ?   1215.71  156.308      685.822    156.308      18.6104     -23.6922     
1 1 1 2  11 22 o 0 321.3  24.4  ?    ?   887.965  -147.058     379.977    -147.058     129.971     32.9424      
1 1 1 2  11 23 f 1 208.9  18.1  ?    ?   685.279  34.8652      310.847    34.8652      76.7436     -145.135     
1 1 1 2  11 24 o 0 171.3  14    ?    ?   377.394  -148.363     390.736    -148.363     180.032     -148.363     
1 1 1 2  11 25 o 0 390.8  30.1  ?    ?   967.804  19.0531      412.624    19.0531      120.157     -160.947     
1 1 1 2  11 26 o 0 513.5  39.3  ?    ?   862.075  -115.018     594.391    -115.018     121.391     -115.018     
1 1 1 2  11 27 o 0 158.2  13    ?    ?   345.056  -139.878     387.384    -139.878     189.19      -139.878     
1 1 1 2  11 28 o 0 28.4   5.4   ?    ?   270.118  91.7032      49.2593    91.7032      104.971     -88.2968     
1 1 1 2  11 29 o 0 33     6.2   ?    ?   317.935  56.3749      62.5661    56.3749      112.325     -123.625     
1 1 1 2  11 30 o 0 77.7   8.3   ?    ?   281.195  161.689      224.5      161.689      72.5269     161.689      
1 1 1 2  11 31 o 0 927.2  60.6  ?    ?   1275.99  -97.6224     757.902    -97.6224     117.008     -97.6224     
1 1 1 2  11 32 o 0 5.9    5.8   ?    ?   125.596  -76.7497     17.2513    103.25       76.9616     103.25       
1 1 1 2  11 33 o 0 93.7   9.9   ?    ?   452.079  -53.1056     208.76     -53.1056     0.973702    -53.1056     
1 1 1 2  11 34 o 0 423.6  33.6  ?    ?   895.744  143.921      463.92     143.921      41.9545     143.921      
1 1 1 2  11 35 o 0 94.6   9.3   ?    ?   628.662  120.794      141.462    120.794      225.583     -59.2061     
1 1 1 2  11 36 f 1 59.5   7.5   ?    ?   206.71   -53.5103     253.408    -53.5103     135.385     -53.5103     
1 1 1 2  11 37 f 1 5.6    7.1   ?    ?   145.184  152.05       7.13262    152.05       72.1431     -27.9503     
1 1 1 2  11 38 o 0 2.4    6.6   ?    ?   31.3098  -81.3899     2.68174    -81.3899     13.6008     98.6101      
1 1 1 2  11 39 o 0 8.1    6.1   ?    ?   75.8186  7.43732      30.3782    7.43732      7.6777      -172.563     
1 1 1 2  11 40 f 1 8.8    7.1   ?    ?   164.453  66.186       33.1573    66.186       42.6424     -113.814     
1 1 1 2  11 41 o 0 4.9    6.3   ?    ?   108.699  -167.947     33.7003    -167.947     10.7741     12.0533      
1 1 1 2  12 0  o 0 59.4   6.7   ?    ?   507.182  4.42688e-14  241.905    0            125.572     -180         
1 1 1 2  12 1  f 1 213.5  16.2  ?    ?   899.579  39.4669      251.645    39.4669      394.197     -140.533     
1 1 1 2  12 3  o 0 570.5  46.8  ?    ?   1166.04  -44.2906     631.368    -44.2906     196.388     135.709      
1 1 1 2  12 4  o 0 337    25.4  ?    ?   541.576  -109.278     775.495    -109.278     373.915     -109.278     
1 1 1 2  12 5  o 0 337.4  25.4  ?    ?   368.306  145.028      876.192    145.028      604.986     145.028      
1 1 1 2  12 8  o 0 835.2  57.8  ?    ?   988.279  118.605      1122.67    118.605      409.641     118.605      
1 1 1 2  12 9  o 0 158.7  12.2  ?    ?   475.637  22.9076      421.473    22.9076      80.6127     22.9076      
1 1 1 2  12 10 o 0 93.4   7.9   ?    ?   395.662  -31.1801     276.381    -31.1801     5.24353     148.82       
1 1 1 2  12 11 o 0 43.6   4     ?    ?   304.084  -16.6278     118.875    -16.6278     96.0701     163.372      
1 1 1 2  12 12 o 0 96.8   8.3   ?    ?   320.228  -24.3652     320.806    -24.3652     96.0604     -24.3652     
1 1 1 2  12 13 f 1 204.8  15.7  ?    ?   806.194  56.1828      290.429    56.1828      241.327     -123.817     
1 1 1 2  12 14 o 0 209.2  14.8  ?    ?   568.261  80.7954      441.261    80.7954      68.383      80.7954      
1 1 1 2  12 15 o 0 123    8.9   ?    ?   360.207  -34.2904     353.58     -34.2904     119.145     -34.2904     
1 1 1 2  12 16 o 0 48.6   3.8   ?    ?   268.294  147.181      142.928    147.181      30.1867     -32.8194     
1 1 1 2  12 17 o 0 467.8  30.6  ?    ?   552.516  -37.2585     849.419    -37.2585     496.153     -37.2585     
1 1 1 2  12 18 o 0 169.3  12.2  ?    ?   451.371  -33.7932     404.568    -33.7932     115.711     -33.7932     
1 1 1 2  12 19 o 0 113.9  9.4   ?    ?   403.31   157.689      271.721    157.689      34.8155     157.689      
1 1 1 2  12 20 o 0 242.5  17.3  ?    ?   661.674  -43.7272     390.714    -43.7272     6.24333     -43.7272     
1 1 1 2  12 21 o 0 21.4   3.3   ?    ?   291.198  -154.707     6.74202    25.2929      174.524     25.2929      
1 1 1 2  12 22 o 0 445.8  33.6  ?    ?   1089.21  51.9426      424.892    51.9426      195.116     -128.057     
1 1 1 2  12 23 o 0 269.4  20.8  ?    ?   838.064  -25.9812     324.855    -25.9812     145.107     154.019      
1 1 1 2  12 24 o 0 126.3  9.4   ?    ?   517.348  -84.4866     232.255    -84.4866     53.9756     95.5134      
1 1 1 2  12 25 f 1 1085   75.4  ?    ?   1302.34  70.0018      850.086    70.0018      133.334     70.0018      
1 1 1 2  12 26 o 0 692.4  48.5  ?    ?   790.112  80.0068      847.754    80.0068      391.071     80.0068      
1 1 1 2  12 27 o 0 333.6  24.2  ?    ?   722.811  -84.4654     473.663    -84.4654     58.0803     -84.4654     
1 1 1 2  12 28 o 0 20.4   4.9   ?    ?   248.235  -59.1376     13.7211    -59.1376     126.701     120.862      
1 1 1 2  12 29 o 0 52.4   6.9   ?    ?   221.404  -34.8366     167.586    -34.8366     46.9269     -34.8366     
1 1 1 2  12 30 f 1 837.3  58.7  ?    ?   1240.57  -131.166     713.334    -131.166     86.1928     -131.166     
1 1 1 2  12 31 o 0 36     6.3   ?    ?   230.862  105.161      120.704    105.161      9.87395     105.161      
1 1 1 2  12 32 o 0 1.7    6.2   ?    ?   96.4487  109.25       21.518     -70.7499     66.9445     -70.7499     
1 1 1 2  12 33 o 0 38.5   7.7   ?    ?   247.752  122.78       126.179    122.78       13.3649     122.78       
1 1 1 2  12 34 o 0 81.4   8.5   ?    ?   310.322  45.0671      280.091    45.0671      100.354     45.0671      
1 1 1 2  12 35 o 0 142.8  12.2  ?    ?   380.208  -7.24004     393.349    -7.24004     173.419     -7.24004     
1 1 1 2  12 36 o 0 46.6   6.6   ?    ?   206.06   -75.7453     204.786    -75.7453     87.9196     -75.7453     
1 1 1 2  12 37 o 0 28     7.9   ?    ?   275.558  -178.011     92.2737    -178.011     57.1925     1.9887       
1 1 1 2  12 38 o 0 20.8   7.9   ?    ?   136.717  157.725      100.322    157.725      29.8748     157.725      
1 1 1 2  12 39 o 0 -4.1   6.7   ?    ?   42.5465  156.311      3.43394    -23.689      24.5946     -23.689      
1 1 1 2  12 40 o 0 0.6    7.5   ?    ?   124.727  45.2112      21.6768    45.2112      30.1957     -134.789     
1 1 1 2  13 0  o 0 53.2   6.3   ?    ?   445.582  8.51091e-15  241.799    0            95.0208     -180         
1 1 1 2  13 1  o 0 194    16.2  ?    ?   413.589  157.436      569.173    157.436      258.371     157.436      
1 1 1 2  13 3  o 0 44     4.1   ?    ?   473.619  -44.0621     37.4701    -44.0621     313.943     135.938      
1 1 1 2  13 4  o 0 168.3  12.9  ?    ?   412.909  171.256      496.22     171.256      191.877     171.256      
1 1 1 2  13 5  o 0 162.6  15.3  ?    ?   504.55   150.666      421.301    150.666      51.9017     150.666      
1 1 1 2  13 7  o 0 81.7   6     ?    ?   485.097  111.34       187.59     111.34       162.784     -68.66       
1 1 1 2  13 8  o 0 101.8  8.5   ?    ?   500.927  -140.793     244.516    -140.793     114.822     39.2073      
1 1 1 2  13 9  o 0 400.8  30.1  ?    ?   563.429  -87.803      837.521    -87.803      436.137     -87.803      
1 1 1 2  13 10 o 0 58.5   5.2   ?    ?   184.943  120.568      206.576    120.568      75.7492     120.568      
1 1 1 2  13 11 o 0 38.8   4     ?    ?   312.219  -74.9413     87.065     -74.9413     121.078     105.059      
1 1 1 2  13 12 o 0 355.9  29.3  ?    ?   823.7    -99.4946     545.813    -99.4946     0.766641    -99.4946     
1 1 1 2  13 13 o 0 466.1  32.5  ?    ?   942.384  -117.365     627.758    -117.365     8.98773     -117.365     
1 1 1 2  13 14 o 0 274    19.2  ?    ?   521.611  -28.3902     586.966    -28.3902     247.233     -28.3902     
1 1 1 2  13 15 o 0 25.9   2.7   ?    ?   264.396  58.5982      31.2131    58.5982      139.537     -121.402     
1 1 1 2  13 16 o 0 801.3  51.9  ?    ?   1325.49  -46.9561     748.458    -46.9561     108.985     133.044      
1 1 1 2  13 17 o 0 335.1  22    ?    ?   899.442  -163.347     442.34     -163.347     134.052     16.6534      
1 1 1 2  13 18 o 0 1056.5 68.4  ?    ?   1437.17  135.262      832.207    135.262      13.4268     -44.7376     
1 1 1 2  13 19 o 0 37.3   4     ?    ?   208.854  22.1944      87.1798    22.1944      34.4292     -157.806     
1 1 1 2  13 20 o 0 19.4   3.3   ?    ?   239.488  147.631      4.35081    -32.3693     142.686     -32.3693     
1 1 1 2  13 21 o 0 40.3   5     ?    ?   384.949  133.471      49.5774    133.471      170.201     -46.5294     
1 1 1 2  13 22 o 0 784.6  58.9  ?    ?   1316.75  -124.898     633.828    -124.898     107.156     55.1021      
1 1 1 2  13 23 o 0 143.9  11.1  ?    ?   637.916  -36.319      209.953    -36.319      144.411     143.681      
1 1 1 2  13 24 o 0 158.4  12.2  ?    ?   444.608  -37.7959     330.187    -37.7959     83.73       -37.7959     
1 1 1 2  13 25 f 1 223.6  15.5  ?    ?   809.498  51.4732      272.278    51.4732      196.847     -128.527     
1 1 1 2  13 26 o 0 701.1  49.2  ?    ?   1239.74  -0.962566    590.7      -0.962566    126.26      179.037      
1 1 1 2  13 27 o 0 756.8  57.3  ?    ?   1085.43  -140.068     714.266    -140.068     96.2706     -140.068     
1 1 1 2  13 28 o 0 26.4   6.3   ?    ?   123.215  -109.15      65.6966    -109.15      1.933       70.8499      
1 1 1 2  13 29 o 0 83.1   8.4   ?    ?   570.34   -133.904     124.303    -133.904     167.025     46.0964      
1 1 1 2  13 30 o 0 30.5   7.6   ?    ?   425.806  -47.7488     17.0831    -47.7488     196.602     132.251      
1 1 1 2  13 31 o 0 83.6   9.4   ?    ?   419.784  120.699      196.764    120.699      2.77356     -59.3007     
1 1 1 2  13 32 f 1 27.3   6.2   ?    ?   217.375  173.222      91.0333    173.222      8.67444     -6.77839     
1 1 1 2  13 33 o 0 29.5   6.6   ?    ?   101.215  -12.3582     106.961    -12.3582     59.2209     -12.3582     
1 1 1 2  13 34 o 0 65.7   7.7   ?    ?   277.307  -48.6949     245.889    -48.6949     83.6591     -48.6949     
1 1 1 2  13 35 o 0 77.7   8.2   ?    ?   347.87   -150.846     243.672    -150.846     43.9927     -150.846     
1 1 1 2  13 36 o 0 26.2   7.3   ?    ?   213.817  90.3923      112.515    90.3923      4.94863     -89.6077     
1 1 1 2  13 37 o 0 1.4    7.1   ?    ?   146.233  -117.515     8.15155    62.4854      84.5237     62.4854      
1 1 1 2  13 38 o 0 30.8   6.4   ?    ?   189.053  86.8886      148.53     86.8886      53.1606     86.8886      
1 1 1 2  13 39 o 0 37.2   7.4   ?    ?   160.288  96.2483      186.047    96.2483      111.547     96.2483      
1 1 1 2  13 40 f 1 29.6   8.5   ?    ?   267.406  -97.2356     118.378    -97.2356     8.53265     -97.2356     
1 1 1 2  14 0  o 0 167.2  22.6  ?    ?   607.303  -2.294e-14   432.179    0            22.6877     180          
1 1 1 2  14 1  o 0 61.5   5.2   ?    ?   467.368  -143.196     123.574    -143.196     224.64      36.8042      
1 1 1 2  14 3  o 0 216.8  15.2  ?    ?   449.364  150.101      590.391    150.101      259.496     150.101      
1 1 1 2  14 4  o 0 319.2  26.4  ?    ?   614.161  118.012      684.753    118.012      235.335     118.012      
1 1 1 2  14 5  f 1 234.6  19.5  ?    ?   348.625  4.14869      677.87     4.14869      425.056     4.14869      
1 1 1 2  14 6  o 0 18.8   2.3   ?    ?   319.058  40.6021      37.1474    -139.398     267.587     -139.398     
1 1 1 2  14 7  o 0 35.9   3.4   ?    ?   343.216  33.6852      63.4865    33.6852      182.734     -146.315     
1 1 1 2  14 8  o 0 174.8  14.6  ?    ?   640.317  29.2235      335.549    29.2235      95.5039     -150.777     
1 1 1 2  14 9  o 0 1273.8 95    ?    ?   1320.64  177.178      1217.63    177.178      330.732     177.178      
1 1 1 2  14 10 o 0 186.9  15.6  ?    ?   460.145  -158.316     463.275    -158.316     156.479     -158.316     
1 1 1 2  14 11 o 0 12.5   2.2   ?    ?   125.665  -1.18713     19.7614    178.813      102.926     178.813      
1 1 1 2  14 12 o 0 996.9  74.4  ?    ?   1430.53  149.825      890.897    149.825      48.5659     -30.1746     
1 1 1 2  14 13 o 0 1870.1 129.1 ?    ?   1807.77  -113.841     1306.97    -113.841     129.228     -113.841     
1 1 1 2  14 14 o 0 590.2  44.2  ?    ?   1067.49  -56.9808     695.449    -56.9808     5.77465     -56.9808     
1 1 1 2  14 15 o 0 27.8   2.9   ?    ?   200.573  90.4976      50.0078    90.4976      79.815      -89.5024     
1 1 1 2  14 16 o 0 74.2   5.4   ?    ?   553.401  -22.545      97.9427    -22.545      256.979     157.455      
1 1 1 2  14 17 o 0 700    45.5  ?    ?   850.35   141.245      857.565    141.245      356.677     141.245      
1 1 1 2  14 18 o 0 94.2   6.9   ?    ?   407.165  64.0303      217.397    64.0303      20.7423     -115.97      
1 1 1 2  14 19 o 0 112.9  8.7   ?    ?   263.963  -110.914     316.976    -110.914     164.233     -110.914     
1 1 1 2  14 20 o 0 198.3  16.8  ?    ?   619.946  28.7138      328.604    28.7138      26.1157     -151.286     
1 1 1 2  14 21 o 0 294    24.9  ?    ?   507.302  150.764      535.493    150.764      249.261     150.764      
1 1 1 2  14 22 o 0 1440.4 107.6 ?    ?   1593.39  -170.679     950.949    -170.679     63.0355     -170.679     
1 1 1 2  14 23 f 1 25.2   4.5   ?    ?   312.579  -71.6538     14.3307    -71.6538     159.126     108.346      
1 1 1 2  14 24 o 0 89.5   7.3   ?    ?   394.051  105.317      199.258    105.317      16.9881     -74.6825     
1 1 1 2  14 25 f 1 188.9  13.4  ?    ?   651.161  -30.1879     293.153    -30.1879     84.2552     149.812      
1 1 1 2  14 26 o 0 30.6   5.4   ?    ?   144.051  48.5168      75.3778    48.5168      7.08006     -131.483     
1 1 1 2  14 27 o 0 528.4  37.4  ?    ?   618.203  173.393      754.921    173.393      413.567     173.393      
1 1 1 2  14 28 o 0 14.8   6     ?    ?   142.737  -107.079     7.76032    -107.079     69.7755     72.9206      
1 1 1 2  14 29 o 0 34.9   6.2   ?    ?   199.074  78.9425      115.546    78.9425      14.9141     78.9425      
1 1 1 2  14 30 o 0 91.3   9.9   ?    ?   412.788  155.455      220.532    155.455      22.7563     155.455      
1 1 1 2  14 31 o 0 116.9  14.4  ?    ?   332.737  14.4432      308.071    14.4432      153.731     14.4432      
1 1 1 2  14 32 o 0 17.9   5.6   ?    ?   94.7142  45.1347      54.4209    45.1347      9.32945     45.1347      
1 1 1 2  14 33 o 0 35.4   6.3   ?    ?   162.034  -43.6581     167.336    -43.6581     73.4807     -43.6581     
1 1 1 2  14 34 o 0 42.6   6.6   ?    ?   269.998  -129.89      162.487    -129.89      6.18621     -129.89      
1 1 1 2  14 35 o 0 109.9  10.1  ?    ?   425.617  160.416      286.086    160.416      44.3358     160.416      
1 1 1 2  14 36 o 0 29     6.7   ?    ?   147.943  67.8061      149.048    67.8061      68.624      67.8061      
1 1 1 2  14 37 o 0 11.9   6.5   ?    ?   125.585  11.5681      48.6629    11.5681      16.2407     -168.432     
1 1 1 2  14 38 o 0 35.1   7.1   ?    ?   276.215  152.755      137.361    152.755      7.23305     152.755      
1 1 1 2  14 39 o 0 71.8   11.7  ?    ?   406.852  17.007       207.458    17.007       37.4983     17.007       
1 1 1 2  15 0  o 0 95     11    ?    ?   328.732  -180         316.432    180          72.6957     180          
1 1 1 2  15 1  o 0 199.9  14.2  ?    ?   872.902  3.50655      267.99     3.50655      376.148     -176.493     
1 1 1 2  15 2  o 0 48.5   4.1   ?    ?   440.211  -133.588     79.3932    -133.588     243.757     46.4123      
1 1 1 2  15 3  o 0 223.3  14.8  ?    ?   679.491  49.4872      451.323    49.4872      44.685      -130.513     
1 1 1 2  15 4  o 0 989.6  74.1  ?    ?   1050.88  -169.814     1181.15    -169.814     460.634     -169.814     
1 1 1 2  15 5  o 0 175.5  13.6  ?    ?   801.021  2.31689      239.37     2.31689      306.437     -177.683     
1 1 1 2  15 6  o 0 55.7   4.5   ?    ?   326.193  -9.23043     160.922    -9.23043     60.9393     170.77       
1 1 1 2  15 7  o 0 55.3   4.8   ?    ?   457.791  10.9717      92.2573    10.9717      217.043     -169.028     
1 1 1 2  15 8  o 0 117.2  10    ?    ?   406.052  -42.7556     324.831    -42.7556     52.3674     -42.7556     
1 1 1 2  15 9  o 0 183.3  15.4  ?    ?   743.162  -90.3527     284.982    -90.3527     210.16      89.6473      
1 1 1 2  15 10 o 0 36.1   4     ?    ?   316.021  -55.6581     71.4271    -55.6581     137.589     124.342      
1 1 1 2  15 11 o 0 39.7   3.9   ?    ?   161.9    102.604      110.912    102.604      4.64098     102.604      
1 1 1 2  15 12 o 0 371.9  28.1  ?    ?   619.003  68.7436      688.792    68.7436      285.668     68.7436      
1 1 1 2  15 13 f 1 95.1   8.2   ?    ?   807.876  32.7164      13.4666    32.7164      512.555     -147.284     
1 1 1 2  15 14 o 0 385.5  29    ?    ?   676.252  171.48       658.733    171.48       221.045     171.48       
1 1 1 2  15 15 o 0 1.8    1.6   ?    ?   202.072  151.675      105.773    -28.3248     225.974     -28.3248     
1 1 1 2  15 16 o 0 1041.3 72    ?    ?   1580.55  109.768      736.197    109.768      195.188     -70.2325     
1 1 1 2  15 17 o 0 114.3  8.6   ?    ?   404.963  -104.391     269.864    -104.391     32.846      -104.391     
1 1 1 2  15 18 o 0 2401.8 154.9 ?    ?   2175.35  -84.5737     1210.57    -84.5737     49.5046     95.4263      
1 1 1 2  15 19 o 0 28.3   3.4   ?    ?   65.6146  144.932      27.1688    144.932      10.4273     -35.0677     
1 1 1 2  15 20 o 0 238.5  18.7  ?    ?   707.733  -97.039      348.938    -97.039      51.1069     82.961       
1 1 1 2  15 21 o 0 771.2  63.7  ?    ?   1287.04  23.6884      631.989    23.6884      86.8283     -156.312     
1 1 1 2  15 22 o 0 139.3  11    ?    ?   472.847  93.12        280.426    93.12        16.6361     93.12        
1 1 1 2  15 23 o 0 29.5   4.3   ?    ?   126.799  72.1021      60.4634    72.1021      13.7593     -107.898     
1 1 1 2  15 24 o 0 16.7   4.1   ?    ?   248.547  -122.686     7.91132    57.3136      152.883     57.3136      
1 1 1 2  15 25 o 0 267.6  18.4  ?    ?   730.989  11.3563      375.284    11.3563      44.9642     -168.644     
1 1 1 2  15 26 f 1 15.2   5     ?    ?   218.344  -31.6596     2.05632    -31.6596     118.788     148.34       
1 1 1 2  15 27 o 0 123.8  10.6  ?    ?   326.961  108.207      320.777    108.207      142.19      108.207      
1 1 1 2  15 28 o 0 30.2   5.8   ?    ?   193.985  150.46       96.745     150.46       1.91636     -29.5399     
1 1 1 2  15 29 o 0 92.4   13.1  ?    ?   447.676  -26.7879     207.877    -26.7879     8.06623     153.212      
1 1 1 2  15 30 o 0 112.6  11.9  ?    ?   541.621  -52.8491     215.458    -52.8491     37.6363     127.151      
1 1 1 2  15 31 o 0 118.5  12.7  ?    ?   529.307  85.6087      228.2      85.6087      14.6159     -94.3913     
1 1 1 2  15 32 o 0 13.4   5.7   ?    ?   119.545  -64.4171     37.0736    -64.4171     32.7769     115.583      
1 1 1 2  15 33 o 0 50     6.6   ?    ?   274.06   -131.488     191.972    -131.488     31.8236     -131.488     
1 1 1 2  15 34 o 0 1.7    6     ?    ?   118.102  -135.51      16.2565    44.4897      84.0173     44.4897      
1 1 1 2  15 35 o 0 78.2   8.2   ?    ?   386.33   39.8877      225.82     39.8877      13.5317     39.8877      
1 1 1 2  15 36 f 1 20.9   6.2   ?    ?   219.927  12.1279      85.5808    12.1279      29.0928     -167.872     
1 1 1 2  15 37 o 0 27.1   6.7   ?    ?   203.979  -0.956556    124.632    -0.956556    21.5612     -0.956556    
1 1 1 2  15 38 o 0 36.6   8.1   ?    ?   262.587  -88.9408     143.578    -88.9408     21.2396     -88.9408     
1 1 1 2  15 39 o 0 9.1    9.9   ?    ?   183.995  -114.879     43.2842    -114.879     32.7289     65.1213      
1 1 1 2  16 1  o 0 125.8  9.3   ?    ?   454.725  29.333       332.704    29.333       17.5346     29.333       
1 1 1 2  16 2  o 0 79.2   6.1   ?    ?   257.291  -63.4122     278.825    -63.4122     101.351     -63.4122     
1 1 1 2  16 3  o 0 316.8  22.3  ?    ?   839.887  97.4332      492.057    97.4332      84.2474     -82.5668     
1 1 1 2  16 4  o 0 603.6  42.1  ?    ?   873.527  -12.3011     877.256    -12.3011     281.234     -12.3011     
1 1 1 2  16 5  o 0 164.3  12.8  ?    ?   684.929  -148.84      283.615    -148.84      180.942     31.16        
1 1 1 2  16 6  o 0 49.8   4.7   ?    ?   461.024  -123.939     67.0331    -123.939     243.704     56.0608      
1 1 1 2  16 7  o 0 37.6   3.8   ?    ?   172.9    77.3605      105.1      77.3605      10.6761     -102.64      
1 1 1 2  16 8  o 0 433    35.7  ?    ?   898.635  -120.447     616.91     -120.447     19.2709     -120.447     
1 1 1 2  16 9  o 0 520.4  47.9  ?    ?   1124.33  -53.8648     584.092    -53.8648     158.353     126.135      
1 1 1 2  16 10 o 0 186.8  15.7  ?    ?   817.034  122.6        242.652    122.6        292.9       -57.3995     
1 1 1 2  16 11 o 0 29     3.1   ?    ?   72.6292  179.632      35.6285    179.632      12.1165     -0.367568    
1 1 1 2  16 12 o 0 345.8  32.1  ?    ?   716.747  88.3684      577.844    88.3684      110.428     88.3684      
1 1 1 2  16 13 o 0 1407.1 105.2 ?    ?   1431.41  68.6912      1107.76    68.6912      249.316     68.6912      
1 1 1 2  16 14 o 0 381.1  26.7  ?    ?   684.207  -66.6617     595        -66.6617     188.241     -66.6617     
1 1 1 2  16 15 o 0 11.3   2.2   ?    ?   174.042  -133.721     35.5601    46.2789      138.4       46.2789      
1 1 1 2  16 16 o 0 308.8  23.3  ?    ?   630.307  -99.304      511.236    -99.304      142.348     -99.304      
1 1 1 2  16 17 o 0 1143.5 74.1  ?    ?   1635.4   165.011      765.336    165.011      182.218     -14.9889     
1 1 1 2  16 18 o 0 757    62    ?    ?   1088.94  93.9528      746.138    93.9528      123.167     93.9528      
1 1 1 2  16 19 f 1 49.7   5.3   ?    ?   389.524  4.59646      86.3262    4.59646      133.499     -175.404     
1 1 1 2  16 20 o 0 34.8   4.8   ?    ?   257.883  116.471      70.426     116.471      73.802      -63.5293     
1 1 1 2  16 21 o 0 161.3  13.5  ?    ?   563.296  -158.529     279.55     -158.529     35.2714     21.4714      
1 1 1 2  16 22 o 0 1568   108.6 ?    ?   1446.31  -108.698     1141.93    -108.698     293.386     -108.698     
1 1 1 2  16 23 o 0 81.1   6.9   ?    ?   362.325  112.348      203.91     112.348      8.01579     -67.6522     
1 1 1 2  16 24 o 0 69.9   7.1   ?    ?   361.84   -38.0125     168.6      -38.0125     40.1111     141.987      
1 1 1 2  16 25 o 0 84     7.5   ?    ?   279.906  -132.761     249.77     -132.761     93.8558     -132.761     
1 1 1 2  16 26 o 0 61.2   6.2   ?    ?   478.7    61.9972      91.2622    61.9972      171.361     -118.003     
1 1 1 2  16 27 o 0 157.8  12.7  ?    ?   455.22   -89.1763     342.452    -89.1763     109.768     -89.1763     
1 1 1 2  16 28 o 0 14.2   5.8   ?    ?   160.841  153.781      21.0352    153.781      56.9839     -26.2191     
1 1 1 2  16 29 o 0 118.6  14.4  ?    ?   479.282  -133.981     249.583    -133.981     21.0549     -133.981     
1 1 1 2  16 30 o 0 136.2  15.9  ?    ?   600.389  10.5723      232.496    10.5723      44.8178     -169.428     
1 1 1 2  16 31 o 0 103.2  10.5  ?    ?   393.268  -158.892     303.811    -158.892     72.2988     -158.892     
1 1 1 2  16 32 o 0 -0.2   7.6   ?    ?   80.6784  -91.3324     9.20796    88.6676      56.7378     88.6676      
1 1 1 2  16 33 o 0 6.4    6     ?    ?   162.024  -115.272     3.39513    64.7276      97.1768     64.7276      
1 1 1 2  16 34 o 0 18.5   5.1   ?    ?   115.019  5.53609      99.8177    5.53609      36.0142     5.53609      
1 1 1 2  16 35 o 0 16.4   5.2   ?    ?   188.102  -50.1496     69.3954    -50.1496     29.9387     129.85       
1 1 1 2  16 36 o 0 16.8   5.7   ?    ?   254.743  -160.94      46.5345    -160.94      83.5871     19.0603      
1 1 1 2  16 37 o 0 41.8   6.5   ?    ?   289.875  -167.829     159.65     -167.829     23.0348     -167.829     
1 1 1 2  16 38 o 0 10.5   6.1   ?    ?   129.062  169.465      62.1441    169.465      8.17136     169.465      
1 1 1 2  17 0  o 0 123.8  12.2  ?    ?   104.356  180          231.849    180          160.071     -180         
1 1 1 2  17 1  o 0 187.7  12.6  ?    ?   558.343  -8.28771     420.466    -8.28771     37.9193     -8.28771     
1 1 1 2  17 2  o 0 76.4   6.2   ?    ?   401.661  -7.98826     204.51     -7.98826     69.4709     172.012      
1 1 1 2  17 3  o 0 32.2   3.7   ?    ?   372.948  -86.7736     27.5342    -86.7736     225.615     93.2264      
1 1 1 2  17 4  o 0 312.1  23.9  ?    ?   768.939  28.7936      522.003    28.7936      2.84231     28.7936      
1 1 1 2  17 5  o 0 2174.3 162.2 ?    ?   1737.46  -174.223     1583.21    -174.223     416.845     -174.223     
1 1 1 2  17 6  o 0 56.9   5.4   ?    ?   544.925  84.9483      47.9007    84.9483      315.688     -95.0517     
1 1 1 2  17 7  f 1 669    54.9  ?    ?   1045.29  -172.906     812.856    -172.906     114.315     -172.906     
1 1 1 2  17 8  o 0 987.9  80.9  ?    ?   1438.88  38.9799      872.001    38.9799      85.5552     -141.02      
1 1 1 2  17 9  o 0 377.8  28.8  ?    ?   466.259  71.5963      785.286    71.5963      477.188     71.5963      
1 1 1 2  17 10 o 0 31.7   3.4   ?    ?   328.433  122.044      39.1246    122.044      176.297     -57.9555     
1 1 1 2  17 11 o 0 2.9    1.6   ?    ?   36.7603  -82.0642     18.2965    97.9358      40.4834     97.9358      
1 1 1 2  17 12 o 0 99.6   8.9   ?    ?   378.808  1.12763      251.055    1.12763      24.2686     1.12763      
1 1 1 2  17 13 o 0 241.9  18.6  ?    ?   580.346  -138.254     441.236    -138.254     95.6715     -138.254     
1 1 1 2  17 14 o 0 71.9   6.3   ?    ?   491.484  34.3784      113.805    34.3784      176.261     -145.622     
1 1 1 2  17 15 o 0 26.4   3.3   ?    ?   48.298   -105.224     17.813     -105.224     10.428      74.7764      
1 1 1 2  17 16 o 0 34.7   3.4   ?    ?   292.024  -41.937      59.9804    -41.937      109.119     138.063      
1 1 1 2  17 17 o 0 278.8  21.2  ?    ?   362.263  144.251      589.537    144.251      382.343     144.251      
1 1 1 2  17 18 o 0 150    12.7  ?    ?   691.888  75.9333      197.898    75.9333      193.613     -104.067     
1 1 1 2  17 19 o 0 16.8   3     ?    ?   159.165  107.828      1.15195    -72.1715     90.213      -72.1715     
1 1 1 2  17 20 o 0 116.2  8.6   ?    ?   602.48   41.8673      165.994    41.8673      171.031     -138.133     
1 1 1 2  17 21 o 0 334.6  26    ?    ?   694.574  176.317      507.707    176.317      99.6546     176.317      
1 1 1 2  17 22 o 0 79.8   8.3   ?    ?   357.686  140.529      202.362    140.529      7.22861     -39.4712     
1 1 1 2  17 23 o 0 32.2   4.8   ?    ?   250.741  -160.255     73.7721    -160.255     71.1896     19.7448      
1 1 1 2  17 24 o 0 136.4  10.2  ?    ?   423.053  115.381      311.4      115.381      75.0862     115.381      
1 1 1 2  17 25 o 0 139.1  11.5  ?    ?   714.515  153.549      163.503    153.549      229.806     -26.4507     
1 1 1 2  17 26 o 0 72.4   7.1   ?    ?   324.842  104.012      206.506    104.012      39.8148     104.012      
1 1 1 2  17 27 o 0 229.2  19.7  ?    ?   709.352  -39.6792     350.68     -39.6792     5.05374     -39.6792     
1 1 1 2  17 28 o 0 2.6    6     ?    ?   150.806  -122.503     34.0127    57.4966      106.284     57.4966      
1 1 1 2  17 29 o 0 67.2   8.5   ?    ?   447.232  -61.5254     145.212    -61.5254     62.5326     118.475      
1 1 1 2  17 30 o 0 161.4  14.5  ?    ?   605.944  147.581      327.175    147.581      31.7832     -32.4193     
1 1 1 2  17 31 o 0 35     6.3   ?    ?   335.268  -112.244     99.7674    -112.244     99.1166     67.7558      
1 1 1 2  17 32 f 1 16     5.4   ?    ?   176.013  2.52628      63.683     2.52628      38.7031     -177.474     
1 1 1 2  17 33 o 0 9.1    7.3   ?    ?   122.691  -107.798     30.8214    -107.798     37.7976     72.2016      
1 1 1 2  17 34 o 0 57.6   8.5   ?    ?   278.12   97.2325      216.752    97.2325      68.5756     97.2325      
1 1 1 2  17 35 o 0 72.3   7.8   ?    ?   431.314  71.3614      190.511    71.3614      31.9072     -108.639     
1 1 1 2  17 36 o 0 26     5.9   ?    ?   256.4    -172.676     108.085    -172.676     13.9897     7.32433      
1 1 1 2  17 37 o 0 5      5.7   ?    ?   88.4178  174.98       34.275     174.98       3.10428     -5.01956     
1 1 1 2  18 0  o 0 134.5  13.4  ?    ?   337.035  -3.22232e-14 349.381    0            118.083     6.31185e-14  
1 1 1 2  18 1  o 0 243    16.3  ?    ?   831.846  -158.56      351.66     -158.56      217.206     21.4398      
1 1 1 2  18 2  o 0 19.8   3.8   ?    ?   30.7166  -38.2923     4.80571    -38.2923     16.1144     141.708      
1 1 1 2  18 3  o 0 679.6  47.4  ?    ?   1124.63  -84.5627     783.636    -84.5627     21.201      -84.5627     
1 1 1 2  18 4  o 0 527.6  37    ?    ?   606.587  -172.128     928.654    -172.128     519.503     -172.128     
1 1 1 2  18 5  o 0 1333.8 99.7  ?    ?   1279.38  81.3834      1282.63    81.3834      424.409     81.3834      
1 1 1 2  18 6  o 0 156.8  12.6  ?    ?   630.696  83.7473      286.937    83.7473      133.644     -96.2527     
1 1 1 2  18 7  o 0 64.8   6     ?    ?   229.306  148.959      199.732    148.959      58.8197     148.959      
1 1 1 2  18 8  o 0 804.2  60.5  ?    ?   1243.66  92.8362      755.36     92.8362      3.81072     -87.1638     
1 1 1 2  18 9  o 0 1921.2 132.8 ?    ?   1460.58  -42.903      1433.73    -42.903      548.408     -42.903      
1 1 1 2  18 10 o 0 302.7  21.6  ?    ?   815.813  -59.6819     414.633    -59.6819     76.2207     120.318      
1 1 1 2  18 11 o 0 6      1.8   ?    ?   135.758  -60.6484     51.5295    119.352      132.827     119.352      
1 1 1 2  18 12 f 1 286.8  22.1  ?    ?   761.561  -91.2647     413.798    -91.2647     37.3837     88.7353      
1 1 1 2  18 13 o 0 765.5  53.4  ?    ?   1137.05  -97.4515     750.509    -97.4515     80.8951     -97.4515     
1 1 1 2  18 14 o 0 319.5  22.8  ?    ?   648.408  54.6222      515.428    54.6222      136.988     54.6222      
1 1 1 2  18 15 o 0 4.8    2.5   ?    ?   80.3052  162.696      32.4671    -17.3045     78.7976     -17.3045     
1 1 1 2  18 16 o 0 69.2   6.1   ?    ?   263.761  -42.8476     197.579    -42.8476     46.9008     -42.8476     
1 1 1 2  18 17 o 0 88.6   7.9   ?    ?   280.035  79.5391      247.172    79.5391      88.8419     79.5391      
1 1 1 2  18 18 o 0 94.2   9.9   ?    ?   430.6    -62.6249     200.269    -62.6249     43.3443     117.375      
1 1 1 2  18 19 o 0 17.1   3.7   ?    ?   129.325  126.314      8.09713    126.314      68.816      -53.6862     
1 1 1 2  18 20 o 0 26.6   4.1   ?    ?   193.743  -166.047     59.8127    -166.047     55.2277     13.9531      
1 1 1 2  18 21 o 0 9.2    3.6   ?    ?   42.6391  -128.026     8.0839     51.9741      33.0895     51.9741      
1 1 1 2  18 22 o 0 1038.8 72.4  ?    ?   1261.18  63.5547      855.325    63.5547      125.255     63.5547      
1 1 1 2  18 23 o 0 21.5   6.7   ?    ?   357.729  -36.7163     9.99531    143.284      210.176     143.284      
1 1 1 2  18 24 o 0 20.2   4.9   ?    ?   317.286  -175.835     14.1241    -175.835     151.578     4.16505      
1 1 1 2  18 25 o 0 219.4  18.1  ?    ?   497.657  67.5073      431.191    67.5073      175.1       67.5073      
1 1 1 2  18 26 o 0 47.8   7.8   ?    ?   278.813  -152.975     152.137    -152.975     15.8299     -152.975     
1 1 1 2  18 27 o 0 11.6   4.7   ?    ?   112.81   -166.756     8.94911    -166.756     45.3258     13.2444      
1 1 1 2  18 28 o 0 10.4   7     ?    ?   92.8965  -1.24472     9.77235    -1.24472     33.574      178.755      
1 1 1 2  18 29 o 0 82.3   9     ?    ?   335.532  12.5384      277.67     12.5384      77.8876     12.5384      
1 1 1 2  18 30 o 0 410.9  32.4  ?    ?   859.021  -125.767     565.667    -125.767     53.1736     -125.767     
1 1 1 2  18 31 o 0 22     5.1   ?    ?   109.681  77.0167      117.162    77.0167      52.7905     77.0167      
1 1 1 2  18 32 o 0 8.4    5.5   ?    ?   91.1279  74.5985      18.0493    74.5985      34.4128     -105.401     
1 1 1 2  18 33 o 0 9.2    5.3   ?    ?   102.501  125.511      28.9345    125.511      27.6534     -54.4891     
1 1 1 2  18 34 o 0 31.6   6.5   ?    ?   199.507  45.1949      148.268    45.1949      43.349      45.1949      
1 1 1 2  18 35 o 0 0.5    5.7   ?    ?   120.167  177.891      9.49703    -2.10882     70.6618     -2.10882     
1 1 1 2  18 36 o 0 7.8    5.6   ?    ?   209.536  21.2795      23.7488    21.2795      65.684      -158.72      
1 1 1 2  19 0  o 0 230.6  25.5  ?    ?   857.258  -4.78299e-14 421.178    0            116.974     180          
1 1 1 2  19 1  o 0 131.9  9.4   ?    ?   590.375  97.888       234.747    97.888       134.684     -82.112      
1 1 1 2  19 2  f 1 109.4  8.1   ?    ?   685.84   137.348      123.458    137.348      302.992     -42.6522     
1 1 1 2  19 3  o 0 358.9  30    ?    ?   869.029  72.3007      480.088    72.3007      59.325      -107.699     
1 1 1 2  19 4  o 0 308.5  23.8  ?    ?   791.905  136.016      448.448    136.016      40.7294     -43.9844     
1 1 1 2  19 5  o 0 1577.4 129.2 ?    ?   1658.3   -57.2403     1106.95    -57.2403     87.9834     -57.2403     
1 1 1 2  19 6  o 0 28     4.9   ?    ?   405.176  -55.1361     14.6875    124.864      262.228     124.864      
1 1 1 2  19 7  o 0 187.9  14    ?    ?   476.019  -7.30269     408.073    -7.30269     118.154     -7.30269     
1 1 1 2  19 8  o 0 727.1  50.8  ?    ?   647.637  -174.384     1017.92    -174.384     626.063     -174.384     
1 1 1 2  19 9  o 0 1440   93.3  ?    ?   1683.05  37.848       981.289    37.848       29.9709     -142.152     
1 1 1 2  19 10 o 0 361.5  24    ?    ?   592.538  -99.3605     617.762    -99.3605     264.353     -99.3605     
1 1 1 2  19 11 o 0 23.6   3.3   ?    ?   394.659  24.6771      33.2272    -155.323     266.79      -155.323     
1 1 1 2  19 12 o 0 25.3   3.5   ?    ?   196.585  68.6576      37.7855    68.6576      77.3563     -111.342     
1 1 1 2  19 13 o 0 608    42.7  ?    ?   1015.36  -106.058     657.654    -106.058     68.0496     -106.058     
1 1 1 2  19 14 o 0 378.9  27    ?    ?   997.347  -158.283     400.272    -158.283     173.657     21.7173      
1 1 1 2  19 15 o 0 96.1   7.8   ?    ?   120.163  -8.99264     253.126    -8.99264     184.631     -8.99264     
1 1 1 2  19 16 o 0 186.7  14.5  ?    ?   722.747  -142.848     249.172    -142.848     163.424     37.1516      
1 1 1 2  19 17 o 0 238    23.1  ?    ?   843.621  0.753593     266.497    0.753593     210.1       -179.246     
1 1 1 2  19 18 o 0 848.3  70    ?    ?   1152.21  20.5389      798.122    20.5389      113.577     20.5389      
1 1 1 2  19 19 o 0 14.9   3.2   ?    ?   36.541   -118.025     3.06307    -118.025     18.6207     61.9748      
1 1 1 2  19 20 o 0 6.9    3.3   ?    ?   38.0377  -9.48763     10.9783    170.512      33.2813     170.512      
1 1 1 2  19 21 o 0 14.7   3.6   ?    ?   355.668  -120.421     49.7615    59.5794      251.562     59.5794      
1 1 1 2  19 22 o 0 30.6   5     ?    ?   90.5835  -172.107     72.7625    -172.107     22.0357     -172.107     
1 1 1 2  19 23 o 0 128.4  15.1  ?    ?   661.639  46.803       188.142    46.803       157.824     -133.197     
1 1 1 2  19 24 o 0 14.5   4.6   ?    ?   129.548  -119.347     20.435     -119.347     46.3455     60.6532      
1 1 1 2  19 25 o 0 179.5  15.1  ?    ?   785.377  59.6981      236.018    59.6981      148.81      -120.302     
1 1 1 2  19 26 o 0 108.6  11.5  ?    ?   475.887  -8.91206     239.711    -8.91206     13.2946     -8.91206     
1 1 1 2  19 27 o 0 49.9   6.8   ?    ?   368.122  -125.017     127.237    -125.017     45.1112     54.9829      
1 1 1 2  19 28 o 0 6.7    4.8   ?    ?   58.3032  63.6628      1.67716    -116.337     36.529      -116.337     
1 1 1 2  19 29 o 0 4.9    4.8   ?    ?   39.0333  -121.434     1.34079    58.5664      24.7336     58.5664      
1 1 1 2  19 30 o 0 10.4   4.9   ?    ?   73.8678  -106.225     29.8298    -106.225     13.7452     73.7746      
1 1 1 2  19 31 o 0 6.8    5     ?    ?   63.5957  138.543      7.8637     138.543      28.9584     -41.4571     
1 1 1 2  19 32 o 0 0      4.5   ?    ?   31.8605  -40.2572     6.45852    139.743      24.1598     139.743      
1 1 1 2  19 33 o 0 31.5   6.3   ?    ?   108.675  20.4891      171.332    20.4891      113.781     20.4891      
1 1 1 2  19 34 o 0 0.9    6.1   ?    ?   100.82   20.2567      2.16205    -159.743     53.8717     -159.743     
1 1 1 2  19 35 o 0 75.7   10.9  ?    ?   324.636  -125.318     246.503    -125.318     92.6797     -125.318     
1 1 1 2  20 0  o 0 41.2   6.7   ?    ?   203.461  9.53075e-14  126.304    0            0.0384695   -3.12821e-10 
1 1 1 2  20 1  o 0 232.3  15.9  ?    ?   730.623  2.73859      356.004    2.73859      96.101      -177.261     
1 1 1 2  20 2  o 0 15.7   3.8   ?    ?   66.1501  133.406      1.35592    -46.5936     42.1463     -46.5936     
1 1 1 2  20 3  o 0 64.2   6.1   ?    ?   290.229  122.341      183.386    122.341      5.14607     122.341      
1 1 1 2  20 4  o 0 850.4  64.1  ?    ?   1064.41  -150.006     900.777    -150.006     250.077     -150.006     
1 1 1 2  20 5  o 0 577.9  53.8  ?    ?   789.542  -25.1983     782.332    -25.1983     302.115     -25.1983     
1 1 1 2  20 6  o 0 94.5   10.3  ?    ?   458.188  -44.3448     200.067    -44.3448     77.0663     135.655      
1 1 1 2  20 7  o 0 138.8  12.2  ?    ?   340.078  -24.4007     364.17     -24.4007     159.71      -24.4007     
1 1 1 2  20 8  o 0 389    25.9  ?    ?   818.129  -32.9093     529.865    -32.9093     41.1664     -32.9093     
1 1 1 2  20 9  o 0 1173.7 76.3  ?    ?   1558.17  117.451      851.105    117.451      71.2469     -62.549      
1 1 1 2  20 10 o 0 29.7   4.1   ?    ?   145.759  63.3212      57.2638    63.3212      28.3872     -116.679     
1 1 1 2  20 11 f 1 18.6   3.2   ?    ?   199.665  36.9588      2.61075    36.9588      113.509     -143.041     
1 1 1 2  20 12 o 0 205.3  15.3  ?    ?   688.004  95.0372      311.059    95.0372      86.8188     -84.9628     
1 1 1 2  20 13 o 0 640    44.9  ?    ?   752.7    -178.478     825.968    -178.478     394.425     -178.478     
1 1 1 2  20 14 f 1 162.5  12.3  ?    ?   617.714  -112.792     262.266    -112.792     91.8126     67.2081      
1 1 1 2  20 15 o 0 10.4   4.2   ?    ?   73.0406  -34.1742     12.9045    145.826      54.4804     145.826      
1 1 1 2  20 16 o 0 119.8  11.5  ?    ?   350.324  96.8945      315.594    96.8945      105.698     96.8945      
1 1 1 2  20 17 o 0 393.4  28.3  ?    ?   522.336  -30.7654     686.196    -30.7654     373.32      -30.7654     
1 1 1 2  20 18 o 0 183.8  14.4  ?    ?   617.942  -155.42      306.383    -155.42      59.6996     24.5804      
1 1 1 2  20 19 o 0 17.6   5.2   ?    ?   159.117  -60.6576     26.7703    -60.6576     64.536      119.342      
1 1 1 2  20 20 o 0 3.9    3.3   ?    ?   44.0183  -7.51456     15.749     172.485      40.7046     172.485      
1 1 1 2  20 21 o 0 213.2  18.1  ?    ?   411.472  -16.2339     475.153    -16.2339     257.106     -16.2339     
1 1 1 2  20 22 o 0 130.7  11.6  ?    ?   669.919  -51.5811     190.998    -51.5811     159.352     128.419      
1 1 1 2  20 23 o 0 28.2   4.9   ?    ?   158.125  21.9356      100.765    21.9356      22.0736     21.9356      
1 1 1 2  20 24 o 0 26.3   8.6   ?    ?   334.172  -24.5084     40.4213    -24.5084     123.511     155.492      
1 1 1 2  20 25 o 0 59     7.4   ?    ?   314.846  -12.5763     179.723    -12.5763     29.673      -12.5763     
1 1 1 2  20 26 o 0 7.5    4.3   ?    ?   197.985  -72.3336     21.8793    107.666      114.779     107.666      
1 1 1 2  20 27 o 0 15.6   4.5   ?    ?   114.005  53.7296      58.6025    53.7296      9.73608     -126.27      
1 1 1 2  20 28 o 0 9.4    4.5   ?    ?   82.9538  126.17       20.69      126.17       29.1914     -53.8297     
1 1 1 2  20 29 o 0 2.6    5.1   ?    ?   61.3451  105.6        7.09981    -74.4001     43.4302     -74.4001     
1 1 1 2  20 30 o 0 53     8.4   ?    ?   256.345  30.3551      214.512    30.3551      68.6557     30.3551      
1 1 1 2  20 31 f 1 33     6.5   ?    ?   277.598  -80.1337     120.848    -80.1337     33.7757     99.8663      
1 1 1 2  20 32 o 0 10.5   5.2   ?    ?   26.4185  110.064      17.4482    110.064      3.37715     110.064      
1 1 1 2  20 33 o 0 58.2   8     ?    ?   282.37   -92.5795     215.468    -92.5795     69.7196     -92.5795     
1 1 1 2  20 34 o 0 11.9   7     ?    ?   155.786  -89.0351     54.0088    -89.0351     20.3255     90.9649      
1 1 1 2  20 35 o 0 18.5   8.1   ?    ?   215.667  71.6195      80.0046    71.6195      11.4869     -108.38      
1 1 1 2  21 0  o 0 44.1   7.7   ?    ?   312.123  -180         158.958    180          31.7858     2.56107e-13  
1 1 1 2  21 1  o 0 547.5  38.5  ?    ?   1029.67  148.745      612.327    148.745      15.2704     -31.2551     
1 1 1 2  21 2  o 0 53.9   6.1   ?    ?   520.238  -47.7702     40.2639    -47.7702     275.802     132.23       
1 1 1 2  21 3  o 0 117.8  9.7   ?    ?   620.569  96.5208      176.694    96.5208      198.081     -83.4792     
1 1 1 2  21 4  o 0 845.4  63.7  ?    ?   899.247  -27.2701     977.867    -27.2701     437.16      -27.2701     
1 1 1 2  21 5  f 1 899.9  74.5  ?    ?   1114.31  160.997      892.964    160.997      227.928     160.997      
1 1 1 2  21 6  o 0 68.8   11    ?    ?   556.655  162.023      72.1467    162.023      259.137     -17.9769     
1 1 1 2  21 7  o 0 95.5   9.7   ?    ?   455.088  -158.981     202.537    -158.981     66.7119     21.0189      
1 1 1 2  21 8  o 0 404.6  27.2  ?    ?   1103.12  -123.451     382.472    -123.451     266.041     56.5492      
1 1 1 2  21 9  o 0 1304.5 84.8  ?    ?   1498.97  -78.1928     966.567    -78.1928     91.3266     -78.1928     
1 1 1 2  21 10 o 0 242.8  16.9  ?    ?   525.32   62.5287      462.246    62.5287      157.74      62.5287      
1 1 1 2  21 11 o 0 154.6  13.5  ?    ?   532.687  -111.479     293.486    -111.479     16.4432     68.5209      
1 1 1 2  21 12 o 0 28.8   4     ?    ?   385.775  121.52       3.36045    121.52       219.26      -58.4804     
1 1 1 2  21 13 o 0 474.5  36.4  ?    ?   935.083  83.9646      569.24     83.9646      0.46832     83.9646      
1 1 1 2  21 14 o 0 109.6  10.1  ?    ?   305.472  -46.5104     311.627    -46.5104     127.511     -46.5104     
1 1 1 2  21 15 o 0 20.5   3.8   ?    ?   49.1008  128.714      16.3537    128.714      13.2605     -51.2859     
1 1 1 2  21 16 o 0 37.3   5.7   ?    ?   178.591  -160.69      110.856    -160.69      4.22491     -160.69      
1 1 1 2  21 17 f 1 425.4  30.8  ?    ?   883.214  139.221      527.644    139.221      17.6764     139.221      
1 1 1 2  21 18 o 0 61.1   6.6   ?    ?   529.159  -177.159     68.7124    -177.159     234.227     2.84136      
1 1 1 2  21 19 o 0 12.5   4.1   ?    ?   181.791  -33.7951     7.27556    146.205      110.146     146.205      
1 1 1 2  21 20 o 0 8.7    3.7   ?    ?   137.113  46.6116      15.3567    -133.388     87.9126     -133.388     
1 1 1 2  21 21 o 0 11.6   4     ?    ?   75.0227  -63.4712     4.45246    -63.4712     34.7455     116.529      
1 1 1 2  21 22 f 1 65     6.9   ?    ?   255.153  -57.0258     219.77     -57.0258     93.1758     -57.0258     
1 1 1 2  21 23 f 1 136    11.8  ?    ?   472.408  -118.533     299.582    -118.533     68.4213     -118.533     
1 1 1 2  21 24 o 0 18.4   5.8   ?    ?   204.814  -53.0222     51.2189    -53.0222     46.4463     126.978      
1 1 1 2  21 25 o 0 79.8   10.5  ?    ?   313.549  -149.911     230.91     -149.911     76.8233     -149.911     
1 1 1 2  21 26 o 0 15.6   4.3   ?    ?   259.474  69.5777      26.6247    69.5777      129.167     -110.422     
1 1 1 2  21 27 o 0 9.7    4.1   ?    ?   75.547   153.247      22.2865    153.247      23.2404     -26.7529     
1 1 1 2  21 28 o 0 0.6    4.1   ?    ?   119.378  -8.74451     34.3214    171.255      105.215     171.255      
1 1 1 2  21 29 o 0 7.4    6.1   ?    ?   117.008  -9.41821     18.4018    -9.41821     48.3958     170.582      
1 1 1 2  21 30 o 0 73     11.6  ?    ?   361.635  172.535      225.781    172.535      28.6331     172.535      
1 1 1 2  21 31 o 0 77.1   10    ?    ?   347.542  173.348      243.918    173.348      57.9728     173.348      
1 1 1 2  21 32 o 0 9      5.7   ?    ?   134.953  -131.942     33.5137    -131.942     36.5013     48.0579      
1 1 1 2  21 33 f 1 52.7   6.8   ?    ?   261.099  -175.125     214.506    -175.125     89.5268     -175.125     
1 1 1 2  21 34 o 0 9.9    6.3   ?    ?   179.469  -93.9934     46.3203    -93.9934     30.3006     86.0066      
1 1 1 2  22 0  o 0 239.9  27.6  ?    ?   691.327  2.75462e-15  409.548    0            5.24076     -180         
1 1 1 2  22 1  o 0 891.6  62.2  ?    ?   1139.36  -32.0278     876.831    -32.0278     194.851     -32.0278     
1 1 1 2  22 2  o 0 25.3   5.1   ?    ?   126.829  -172.71      37.1057    -172.71      38.5824     7.28991      
1 1 1 2  22 3  o 0 627.3  47.7  ?    ?   1197.46  -83.6815     586.917    -83.6815     125.132     96.3185      
1 1 1 2  22 4  f 1 463.7  35.8  ?    ?   910.133  34.4155      569.589    34.4155      32.0288     34.4155      
1 1 1 2  22 5  o 0 811.8  57    ?    ?   1276.87  97.3596      713.677    97.3596      38.8824     -82.6404     
1 1 1 2  22 6  o 0 28.5   6.2   ?    ?   299.798  31.1436      36.4211    31.1436      141.378     -148.856     
1 1 1 2  22 7  o 0 244.9  22.3  ?    ?   602.007  71.7354      425.02     71.7354      70.0372     71.7354      
1 1 1 2  22 8  o 0 703.3  53.7  ?    ?   946.322  -46.5823     781.055    -46.5823     226.515     -46.5823     
1 1 1 2  22 9  o 0 446.8  30    ?    ?   751.034  -95.3166     617.228    -95.3166     180.079     -95.3166     
1 1 1 2  22 10 o 0 293.5  21.5  ?    ?   689.132  164.31       473.032    164.31       49.6264     164.31       
1 1 1 2  22 11 f 1 6.2    5     ?    ?   136.303  36.0219      46.5798    -143.978     129.469     -143.978     
1 1 1 2  22 12 o 0 93.2   8.9   ?    ?   449.891  -103.848     202.507    -103.848     72.3644     76.152       
1 1 1 2  22 13 f 1 178.1  14.8  ?    ?   377.855  119.352      431.867    119.352      203.585     119.352      
1 1 1 2  22 14 o 0 81.6   9.4   ?    ?   378.483  92.0848      202.223    92.0848      24.9405     -87.9152     
1 1 1 2  22 15 o 0 4.8    3.3   ?    ?   39.9108  169.606      13.3202    -10.3938     36.5673     -10.3938     
1 1 1 2  22 16 o 0 19.8   4.1   ?    ?   293.84   139.421      7.52529    139.421      161.904     -40.5792     
1 1 1 2  22 17 o 0 244    18.7  ?    ?   604.856  62.7066      420.503    62.7066      75.436      62.7066      
1 1 1 2  22 18 o 0 57.2   6     ?    ?   419.118  2.74293      125.865    2.74293      97.9553     -177.257     
1 1 1 2  22 19 f 1 15.7   4.2   ?    ?   104.511  -134.104     26.0306    -134.104     28.9903     45.8955      
1 1 1 2  22 20 o 0 10.2   4.2   ?    ?   140.691  15.1023      0.0330509  -164.898     70.8045     -164.898     
1 1 1 2  22 21 o 0 85.6   7.6   ?    ?   496.337  -129.129     177.492    -129.129     69.0072     50.8711      
1 1 1 2  22 22 o 0 115.5  9.4   ?    ?   656.829  135.743      178.26     135.743      139.154     -44.2566     
1 1 1 2  22 23 o 0 14.2   3.9   ?    ?   126.725  124.911      34.1111    124.911      26.2825     -55.0889     
1 1 1 2  22 24 o 0 9.2    4.5   ?    ?   92.6299  106.651      9.92387    106.651      46.5648     -73.349      
1 1 1 2  22 25 o 0 32.8   7.6   ?    ?   300.445  -66.5834     108.851    -66.5834     75.2567     113.417      
1 1 1 2  22 26 o 0 118.2  11    ?    ?   293.304  -172.148     397.192    -172.148     220.259     -172.148     
1 1 1 2  22 27 o 0 20.2   4.2   ?    ?   239.153  62.1497      72.8067    62.1497      69.4394     -117.85      
1 1 1 2  22 28 o 0 4.8    4.1   ?    ?   97.2916  30.313       1.68803    -149.687     57.3486     -149.687     
1 1 1 2  22 29 o 0 8.1    4.4   ?    ?   111.466  54.0933      25.2792    54.0933      35.652      -125.907     
1 1 1 2  22 30 o 0 12     5.1   ?    ?   210.053  60.6367      34.7737    60.6367      76.705      -119.363     
1 1 1 2  22 31 o 0 21     6.6   ?    ?   133.995  -15.7577     123.014    -15.7577     57.1527     -15.7577     
1 1 1 2  22 32 f 1 25.8   6     ?    ?   106.035  140.016      169.627    140.016      123.322     140.016      
1 1 1 2  23 0  o 0 267.2  30.7  ?    ?   463.893  180          424.464    180          147.681     -180         
1 1 1 2  23 1  o 0 114.7  11.2  ?    ?   393.419  -51.4111     281.415    -51.4111     47.1841     -51.4111     
1 1 1 2  23 2  f 1 9.8    6.9   ?    ?   163.823  123.878      35.2774    -56.1222     132.293     -56.1222     
1 1 1 2  23 3  o 0 148.1  12.4  ?    ?   574.516  86.0493      262.344    86.0493      77.6067     -93.9507     
1 1 1 2  23 4  o 0 376.1  27.6  ?    ?   841.902  133.107      514.265    133.107      13.294      -46.8931     
1 1 1 2  23 5  o 0 730.3  48.2  ?    ?   970.24   -86.2558     846.138    -86.2559     240.908     -86.2559     
1 1 1 2  23 6  o 0 40.3   7.4   ?    ?   246.761  -25.843      111.171    -25.843      41.9776     154.157      
1 1 1 2  23 7  o 0 34.4   7     ?    ?   128.219  130.116      83.8876    130.116      4.75537     130.116      
1 1 1 2  23 8  o 0 51     8.5   ?    ?   481.024  -29.4618     52.2715    -29.4618     245.831     150.538      
1 1 1 2  23 9  o 0 537.3  41.8  ?    ?   764.099  -166.055     739.701    -166.055     269.303     -166.055     
1 1 1 2  23 10 o 0 18.2   5.5   ?    ?   173.642  -38.4646     17.2667    -38.4646     88.8709     141.535      
1 1 1 2  23 11 o 0 11     5.9   ?    ?   104.817  77.888       14.2193    -102.112     77.8003     -102.112     
1 1 1 2  23 12 o 0 431.8  33.5  ?    ?   1029.71  -44.8439     458.339    -44.8439     148.742     135.156      
1 1 1 2  23 13 o 0 147    14.6  ?    ?   612.169  127.343      246.647    127.343      111.16      -52.6568     
1 1 1 2  23 14 o 0 248.5  20.7  ?    ?   693.736  108.727      384.921    108.727      16.8705     -71.2726     
1 1 1 2  23 15 o 0 27.5   4.7   ?    ?   339.369  -61.8554     45.0297    -61.8554     139.238     118.145      
1 1 1 2  23 16 o 0 97.5   8.7   ?    ?   322.834  -10.5533     285.889    -10.5533     112.372     -10.5533     
1 1 1 2  23 18 o 0 20.6   4.4   ?    ?   193.143  -43.1931     61.3379    -43.1931     36.6464     136.807      
1 1 1 2  23 19 o 0 85.9   7.9   ?    ?   357.873  -165.252     240.987    -165.252     61.5521     -165.252     
1 1 1 2  23 20 o 0 14.9   4.1   ?    ?   79.5214  138.247      31.5561    138.247      7.28176     -41.7534     
1 1 1 2  23 21 o 0 174.9  13.3  ?    ?   558.697  -173.275     338.471    -173.275     69.0897     -173.275     
1 1 1 2  23 22 o 0 147.3  11.9  ?    ?   668.446  -148.461     220.61     -148.461     112.077     31.5394      
1 1 1 2  23 23 o 0 119    12.2  ?    ?   414.475  51.0214      343.701    51.0214      91.2527     51.0214      
1 1 1 2  23 24 o 0 6.9    5.3   ?    ?   167.501  104.174      8.00055    -75.826      110.57      -75.826      
1 1 1 2  23 25 o 0 29     6.9   ?    ?   169.729  67.7304      149.513    67.7304      46.9171     67.7304      
1 1 1 2  23 26 o 0 65     8.4   ?    ?   338.374  -122.062     215.096    -122.062     13.7584     -122.062     
1 1 1 2  23 27 o 0 28.5   5.2   ?    ?   103.658  -41.9309     161.155    -41.9309     101.797     -41.9309     
1 1 1 2  23 28 o 0 4.8    4     ?    ?   104.832  -99.2434     0.612991   -99.2434     56.7782     80.7566      
1 1 1 2  23 29 o 0 11     4.4   ?    ?   85.2297  29.7113      54.4959    29.7113      9.16917     29.7113      
1 1 1 2  23 30 o 0 180.3  17.2  ?    ?   553.478  -19.5988     383.515    -19.5988     110.742     -19.5988     
1 1 1 2  23 31 o 0 -4.7   5.1   ?    ?   176.409  109.421      25.4733    -70.5786     102.961     -70.5786     
1 1 1 2  24 0  o 0 34.6   9.6   ?    ?   477.109  3.99525e-14  152.053    0            148.32      -180         
1 1 1 2  24 1  o 0 136.6  13.1  ?    ?   433.527  11.2168      327.588    11.2168      55.1789     11.2168      
1 1 1 2  24 2  o 0 7.4    5.9   ?    ?   254.931  -46.8922     80.1122    133.108      239.888     133.108      
1 1 1 2  24 3  o 0 50.1   8.1   ?    ?   211.772  69.7141      167.151    69.7141      34.8472     69.7141      
1 1 1 2  24 4  o 0 60.8   9.1   ?    ?   342.914  -110.33      159.603    -110.33      53.8238     69.6696      
1 1 1 2  24 5  o 0 295.4  24.3  ?    ?   766.826  20.2817      425.955    20.2817      49.2319     -159.718     
1 1 1 2  24 6  o 0 25.6   8.2   ?    ?   189.653  -93.5026     55.7429    -93.5026     61.2041     86.4974      
1 1 1 2  24 7  o 0 44.1   8.7   ?    ?   213.755  -82.4498     139.127    -82.4498     8.03805     -82.4498     
1 1 1 2  24 8  o 0 118.4  11.7  ?    ?   569.669  101.537      210.931    101.536      129.346     -78.4635     
1 1 1 2  24 9  o 0 38.5   10.2  ?    ?   346.517  172.315      77.4474    172.315      128.186     -7.68477     
1 1 1 2  24 10 o 0 30.4   11    ?    ?   198.367  -118.818     84.3763    -118.818     32.512      61.1819      
1 1 1 2  24 11 o 0 26.8   5.9   ?    ?   125.022  -141.869     72.3404    -141.869     0.772754    38.1311      
1 1 1 2  24 12 o 0 11.8   4.6   ?    ?   155.216  -40.9272     10.074     139.073      100.112     139.073      
1 1 1 2  24 13 o 0 329    26.1  ?    ?   602.759  -49.7752     569.691    -49.7752     241.555     -49.7752     
1 1 1 2  24 14 o 0 75.4   8     ?    ?   361.016  -142.43      209.911    -142.43      15.1634     -142.43      
1 1 1 2  24 15 o 0 11.2   3.6   ?    ?   38.6076  -164.181     2.9788     -164.181     17.6477     15.8193      
1 1 1 2  24 16 o 0 51.1   6.6   ?    ?   362.463  -76.9945     138.252    -76.9945     46.6841     103.006      
1 1 1 2  24 17 o 0 26.2   4.5   ?    ?   159.474  59.0699      92.4716    59.0699      11.971      59.0699      
1 1 1 2  24 18 o 0 96.3   8.8   ?    ?   594.671  144.943      165.504    144.943      127.206     -35.0565     
1 1 1 2  24 19 f 1 14.8   4.2   ?    ?   76.7677  150.778      30.0422    150.778      7.20568     -29.2218     
1 1 1 2  24 20 o 0 43.2   5.7   ?    ?   390.905  162.116      93.1721    162.116      103.326     -17.884      
1 1 1 2  24 21 o 0 46.3   5.7   ?    ?   291.357  176.829      180.013    176.829      0.585561    176.829      
1 1 1 2  24 22 o 0 171.8  15.2  ?    ?   681.351  -4.25834     306.577    -4.25834     115.742     175.742      
1 1 1 2  24 23 o 0 15.2   4.5   ?    ?   203.875  21.4079      55.8468    21.4079      69.0327     -158.592     
1 1 1 2  24 24 o 0 28     5.3   ?    ?   171.423  93.8752      145.853    93.8752      42.376      93.8752      
1 1 1 2  24 25 o 0 75     8.1   ?    ?   361.475  97.0427      242.188    97.0427      31.9539     97.0427      
1 1 1 2  24 26 f 1 19.8   7.7   ?    ?   201.054  -130.986     83.0456    -130.986     28.5886     49.0137      
1 1 1 2  24 27 o 0 17.2   6.1   ?    ?   253.877  -144.402     46.9929    -144.402     92.0335     35.5979      
1 1 1 2  24 28 o 0 10.1   4.9   ?    ?   84.173   174.528      45.8918    174.528      1.08879     174.528      
1 1 1 2  24 29 o 0 11.7   4.3   ?    ?   176.619  -170.266     54.3808    -170.266     32.7875     9.7341       
1 1 1 2  24 30 o 0 14.3   5.4   ?    ?   227.007  98.672       62.5345    98.6721      37.379      -81.3279     
1 1 1 2  25 0  o 0 22.3   9     ?    ?   66.0522  -6.1759e-13  31.6244    0            8.36931     180          
1 1 1 2  25 1  f 1 38.2   7.3   ?    ?   185.837  133.621      132.933    133.621      20.8943     133.621      
1 1 1 2  25 2  o 0 10.7   7.7   ?    ?   130.654  -133.033     10.0679    46.9667      88.8536     46.9667      
1 1 1 2  25 3  o 0 39     10    ?    ?   172.591  -76.0232     134.924    -76.0232     31.1617     -76.0232     
1 1 1 2  25 4  o 0 271.3  29    ?    ?   576.925  -78.9717     497.508    -78.9717     151.909     -78.9717     
1 1 1 2  25 5  o 0 119.1  11.1  ?    ?   444.77   -171.506     280.121    -171.506     14.8048     -171.506     
1 1 1 2  25 6  f 1 10.4   7.8   ?    ?   218.333  -131.108     31.5003    48.8918      160.787     48.8918      
1 1 1 2  25 7  o 0 33.3   9     ?    ?   193.141  -115.43      105.571    -115.43      8.48156     64.5703      
1 1 1 2  25 8  o 0 52.7   9.9   ?    ?   327.69   99.0977      155.309    99.0977      26.7848     -80.9023     
1 1 1 2  25 9  o 0 57.2   8.8   ?    ?   258.297  -37.0936     197.852    -37.0936     55.2412     -37.0936     
1 1 1 2  25 10 o 0 10.1   8.3   ?    ?   78.1202  175.361      1.50359    175.361      41.3279     -4.63946     
1 1 1 2  25 11 o 0 13.4   7.5   ?    ?   80.7698  -158.855     10.8803    -158.855     33.0723     21.1453      
1 1 1 2  25 12 o 0 157.4  13.1  ?    ?   633.407  136.007      284.574    136.007      45.2994     -43.9925     
1 1 1 2  25 13 o 0 27.6   4.9   ?    ?   198.388  -158.02      98.6838    -158.02      3.75257     21.9798      
1 1 1 2  25 14 o 0 203.9  15.3  ?    ?   539.632  -131.367     409.606    -131.367     133.497     -131.367     
1 1 1 2  25 15 o 0 40.5   5.6   ?    ?   323.988  134.176      120.254    134.176      41.6504     -45.8238     
1 1 1 2  25 16 o 0 68     7.1   ?    ?   447.696  -131.814     157.895    -131.814     63.5632     48.186       
1 1 1 2  25 17 o 0 149.5  13.1  ?    ?   563.253  112.808      292.856    112.808      17.2056     112.808      
1 1 1 2  25 18 o 0 122.2  10.3  ?    ?   670.964  44.0642      172.351    44.0642      167.327     -135.936     
1 1 1 2  25 19 o 0 23.3   4.5   ?    ?   163.527  28.8096      112.704    28.8096      11.1715     28.8096      
1 1 1 2  25 20 o 0 7.1    3.9   ?    ?   236.084  54.0935      35.9488    -125.906     183.642     -125.906     
1 1 1 2  25 21 o 0 50.5   6.5   ?    ?   262.215  -25.5621     210.784    -25.5621     48.8509     -25.5621     
1 1 1 2  25 22 o 0 7.5    4.2   ?    ?   72.8783  -138.748     11.9161    -138.748     32.5842     41.2519      
1 1 1 2  25 23 o 0 23.4   4.9   ?    ?   182.691  -80.8666     122.179    -80.8666     14.577      -80.8666     
1 1 1 2  25 24 o 0 1.7    3.9   ?    ?   86.1131  -82.5596     17.1984    97.4404      67.1791     97.4404      
1 1 1 2  25 25 o 0 14     6.3   ?    ?   115.119  -133.754     68.8708    -133.754     4.88288     -133.754     
1 1 1 2  25 26 o 0 15.6   5.6   ?    ?   144.61   27.1035      83.8409    27.1035      5.6206      27.1035      
1 1 1 2  25 27 o 0 51.9   8.5   ?    ?   280.603  48.9975      209.68     48.9975      68.7796     48.9975      
1 1 1 2  25 28 o 0 0.7    6     ?    ?   77.7813  -169.877     5.83645    -169.877     32.559      10.1228      
1 1 1 2  25 29 o 0 21.6   4.8   ?    ?   244.996  44.6119      107.146    44.6119      0.768071    -135.388     
1 1 1 2  26 0  o 0 39.2   11.2  ?    ?   315.086  -180         152.521    180          24.5846     9.78156e-14  
1 1 1 2  26 1  o 0 48.2   17    ?    ?   184.052  7.87591      171.435    7.87591      68.1405     7.87591      
1 1 1 2  26 2  o 0 2.3    14.7  ?    ?   235.621  -179.632     26.3228    0.367503     158.27      0.367503     
1 1 1 2  26 3  f 1 24.3   7     ?    ?   380.044  -15.3266     10.3995    -15.3266     201.278     164.673      
1 1 1 2  26 4  o 0 56.2   10.4  ?    ?   303.013  136.825      178.05     136.825      9.42394     136.825      
1 1 1 2  26 5  o 0 93.9   10.8  ?    ?   410.867  -159.74      243.651    -159.74      15.9274     -159.74      
1 1 1 2  26 6  o 0 17.4   6.3   ?    ?   186.769  145.538      30.9213    145.538      72.1168     -34.4625     
1 1 1 2  26 7  o 0 18.1   6     ?    ?   228.418  -55.9999     27.0483    -55.9999     98.3113     124          
1 1 1 2  26 8  o 0 11.1   8.2   ?    ?   117.585  143.995      9.54926    143.995      52.3509     -36.0046     
1 1 1 2  26 9  o 0 291.3  26.4  ?    ?   749.417  110.078      450.065    110.078      58.0446     110.078      
1 1 1 2  26 10 o 0 39     8.1   ?    ?   150.619  49.4999      151.587    49.4999      73.3401     49.4999      
1 1 1 2  26 11 o 0 -2.8   7.4   ?    ?   188.602  135.662      55.8236    -44.3382     153.076     -44.3382     
1 1 1 2  26 12 o 0 172.7  16.6  ?    ?   614.948  144.555      321.022    144.555      10.8118     144.555      
1 1 1 2  26 13 o 0 258.9  19.1  ?    ?   470.838  92.0849      530.501    92.0849      295.006     92.0849      
1 1 1 2  26 14 o 0 156.1  12.5  ?    ?   568.1    8.28087      308.09     8.28087      26.5155     8.28087      
1 1 1 2  26 15 o 0 8.3    3.4   ?    ?   64.0992  -157.195     4.23412    -157.195     28.6848     22.8053      
1 1 1 2  26 16 o 0 17.4   4     ?    ?   274.605  75.8028      35.1111    75.8028      138.135     -104.197     
1 1 1 2  26 17 o 0 9.9    3.8   ?    ?   134.955  -58.525      25.538     -58.525      60.3909     121.475      
1 1 1 2  26 18 o 0 103.1  9.3   ?    ?   518.541  -71.588      244.31     -71.588      82.157      108.412      
1 1 1 2  26 19 o 0 1      3.7   ?    ?   99.0042  -132.097     30.0078    47.9032      91.7418     47.9032      
1 1 1 2  26 20 f 1 19.6   4.4   ?    ?   188.561  -77.0332     93.4451    -77.0332     22.3851     102.967      
1 1 1 2  26 21 o 0 6.5    4     ?    ?   133.814  -123.984     4.69804    -123.984     74.8839     56.0159      
1 1 1 2  26 22 o 0 62.9   8.6   ?    ?   335.223  -120.327     216.452    -120.327     19.7691     -120.327     
1 1 1 2  26 23 o 0 25.3   4.9   ?    ?   192.813  112.772      131.583    112.772      23.1195     112.772      
1 1 1 2  26 24 o 0 78.5   8.4   ?    ?   327.247  -71.8112     274.322    -71.8112     94.9761     -71.8112     
1 1 1 2  26 25 o 0 24.1   5.5   ?    ?   189.199  67.7802      125.019    67.7802      22.9042     67.7802      
1 1 1 2  26 26 o 0 6.4    6.4   ?    ?   125.297  130.791      29.668     130.791      33.146      -49.2087     
1 1 1 2  26 27 o 0 31.6   7     ?    ?   265.794  -120.467     144.98     -120.467     25.9402     -120.467     
1 1 1 2  27 0  o 0 24.2   24.9  ?    ?   29.2828  180          13.7836    180          1.77721     -6.88149e-13 
1 1 1 2  27 1  o 0 22.9   15.9  ?    ?   405.71   106.806      7.04859    -73.194      222.349     -73.194      
1 1 1 2  27 2  o 0 11.5   9.2   ?    ?   103.79   -13.7338     13.0401    -13.7338     41.9276     166.266      
1 1 1 2  27 3  o 0 34     7.7   ?    ?   224.106  16.9949      124.562    16.9949      6.18882     16.9949      
1 1 1 2  27 4  o 0 120.5  14.6  ?    ?   374.167  -76.8367     329.743    -76.8367     132.755     -76.8367     
1 1 1 2  27 5  f 1 101.5  11.4  ?    ?   375.882  -163.244     283.688    -163.244     87.0739     -163.244     
1 1 1 2  27 6  o 0 6.8    6.2   ?    ?   120.377  72.5091      13.6893    -107.491     76.5344     -107.491     
1 1 1 2  27 7  o 0 22.1   6.5   ?    ?   223.71   -131.859     71.7089    -131.859     42.8785     48.1415      
1 1 1 2  27 8  o 0 8.6    8.6   ?    ?   162.031  111.345      2.10975    111.345      80.4153     -68.6551     
1 1 1 2  27 9  o 0 180.6  21.8  ?    ?   620.72   48.9301      329.134    48.9301      14.9591     48.9301      
1 1 1 2  27 10 o 0 8.8    7.2   ?    ?   139.431  13.2447      1.63898    13.2447      68.4546     -166.755     
1 1 1 2  27 11 o 0 12.3   8.5   ?    ?   182.78   68.3548      15.5452    68.3548      75.665      -111.645     
1 1 1 2  27 12 o 0 25.2   7.3   ?    ?   402.169  -21.3071     12.3764    -21.3071     195.921     158.693      
1 1 1 2  27 13 o 0 124.1  13.1  ?    ?   242.117  26.7643      465.856    26.7643      311.547     26.7643      
1 1 1 2  27 14 f 1 21     4.3   ?    ?   176.87   12.3961      97.0823    12.3961      14.3409     -167.604     
1 1 1 2  27 15 o 0 19.6   4.3   ?    ?   199.288  -28.1586     89.2327    -28.1586     37.9435     151.841      
1 1 1 2  27 16 o 0 8.9    3.6   ?    ?   87.7981  30.3516      19.1894    30.3516      36.2733     -149.648     
1 1 1 2  27 17 f 1 32.5   5.2   ?    ?   338.357  -160.474     93.7359    -160.474     117.649     19.5265      
1 1 1 2  27 18 o 0 30.3   4.8   ?    ?   74.7498  54.3838      156.957    54.3838      110.662     54.3838      
1 1 1 2  27 19 o 0 2.6    4.4   ?    ?   113.334  -136.01      16.9177    43.9903      84.7743     43.9903      
1 1 1 2  27 20 o 0 26.2   4.8   ?    ?   195.412  71.7375      133.826    71.7375      18.2698     71.7375      
1 1 1 2  27 21 o 0 121.2  11.6  ?    ?   473.609  121.711      313.785    121.711      44.9599     121.711      
1 1 1 2  27 22 o 0 74     7.6   ?    ?   282.422  -175.176     286.847    -175.176     130.491     -175.176     
1 1 1 2  27 23 o 0 18.8   4.5   ?    ?   254.669  -127.225     68.8795    -127.225     70.1308     52.7753      
1 1 1 2  27 24 o 0 12.7   4.3   ?    ?   53.0018  56.0184      64.4233    56.0184      37.5197     56.0184      
1 1 1 2  27 25 o 0 8.9    4.7   ?    ?   118.173  -65.7907     60.2858    -65.7907     6.63514     -65.7907     
1 1 1 2  28 0  f 1 132    30.1  ?    ?   676.668  -2.51401e-14 276.525    0            69.7759     180          
1 1 1 2  28 1  o 0 16.7   9.3   ?    ?   231.001  -0.982346    30.9214    -0.982346    87.4626     179.018      
1 1 1 2  28 2  o 0 5.3    6.7   ?    ?   108.787  40.9502      10.3314    -139.05      65.9797     -139.05      
1 1 1 2  28 3  o 0 6.5    8.3   ?    ?   87.455   -89.5787     0.187277   -89.5787     44.4376     90.4213      
1 1 1 2  28 4  o 0 -1.1   15.2  ?    ?   248.735  -158.013     21.8839    21.9867      148.407     21.9867      
1 1 1 2  28 5  o 0 8.7    6.7   ?    ?   246.011  -175.468     24.089     4.53185      148.757     4.53185      
1 1 1 2  28 6  o 0 10.5   9.8   ?    ?   144.603  -2.62085     21.3383    -2.62085     54.9903     177.379      
1 1 1 2  28 7  f 1 21.8   6.5   ?    ?   96.4534  -168.711     79.8766    -168.711     29.3464     -168.711     
1 1 1 2  28 8  o 0 37.8   7.1   ?    ?   227.237  57.3071      178.312    57.3071      31.0146     57.3071      
1 1 1 2  28 9  o 0 -1.9   5.8   ?    ?   156.234  -73.3169     56.6298    106.683      157.282     106.683      
1 1 1 2  28 10 o 0 30.1   8.5   ?    ?   265.745  -89.8008     114.631    -89.8008     55.4247     90.1992      
1 1 1 2  28 11 o 0 -1.8   6     ?    ?   185.915  -10.3568     60.4797    169.643      180.963     169.643      
1 1 1 2  28 12 o 0 75.5   9.9   ?    ?   346.476  -69.9377     263.917    -69.9377     41.1405     -69.9377     
1 1 1 2  28 13 o 0 92.2   11.2  ?    ?   366.42   -151.314     302.445    -151.314     68.8246     -151.314     
1 1 1 2  28 14 o 0 7.1    5.9   ?    ?   128.691  94.3267      9.07697    94.3267      72.4169     -85.6733     
1 1 1 2  28 15 o 0 3      3.7   ?    ?   92.0285  144.576      18.7208    -35.4241     76.4435     -35.4241     
1 1 1 2  28 16 o 0 16.2   4     ?    ?   166.221  99.6824      85.3814    99.6824      15.5826     -80.3176     
1 1 1 2  28 17 o 0 70     8.7   ?    ?   383.188  13.4913      220.585    13.4913      9.68964     -166.509     
1 1 1 2  28 18 o 0 40.6   5.5   ?    ?   210.625  -111.008     203.257    -111.008     81.5559     -111.008     
1 1 1 2  28 19 f 1 0.7    4.1   ?    ?   23.9928  173.228      4.21819    -6.77202     17.8831     -6.77202     
1 1 1 2  28 20 o 0 11.3   4.3   ?    ?   103.799  -22.645      61.6552    -22.645      3.77885     -22.645      
1 1 1 2  28 21 o 0 2.2    3.9   ?    ?   154.106  115.599      24.4587    -64.4007     109.275     -64.4007     
1 1 1 2  28 22 o 0 85     9.3   ?    ?   362.482  90.1739      282.062    90.1739      96.3239     90.1739      
1 1 1 2  28 23 o 0 17.9   4.5   ?    ?   249.318  -19.2818     88.4184    -19.2818     25.9778     160.718      
1 1 1 2  28 24 o 0 5.3    4.1   ?    ?   57.526   146.029      28.9717    146.029      2.96351     146.029      
1 1 1 2  29 0  o 0 29.4   10    ?    ?   7.61463  180          9.24527    180          4.28248     -180         
1 1 1 2  29 1  o 0 88.6   12.2  ?    ?   432.302  -170.241     263.718    -170.241     17.7422     9.75931      
1 1 1 2  29 2  o 0 1      9.4   ?    ?   56.8835  -29.8824     3.77552    150.118      40.7483     150.118      
1 1 1 2  29 3  o 0 31.7   7.7   ?    ?   244.924  155.856      136.416    155.856      22.4052     -24.1435     
1 1 1 2  29 4  o 0 120.6  12.8  ?    ?   542.693  73.5627      287.076    73.5627      70.8464     -106.437     
1 1 1 2  29 5  o 0 129.5  13.2  ?    ?   389.431  -48.8631     404.654    -48.8631     148.74      -48.8631     
1 1 1 2  29 6  o 0 18.7   8.5   ?    ?   170.697  -104.885     82.0683    -104.885     29.631      75.1151      
1 1 1 2  29 7  o 0 7.9    8     ?    ?   114.857  -71.6463     19.6002    -71.6463     55.1955     108.354      
1 1 1 2  29 8  o 0 69.6   9.8   ?    ?   390.758  -108.74      218.62     -108.74      34.4614     71.2602      
1 1 1 2  29 9  f 1 75.8   11.9  ?    ?   213.343  143.055      332.562    143.055      195.573     143.055      
1 1 1 2  29 10 o 0 44.2   7.9   ?    ?   343.223  49.4782      145.294    49.4782      74.6824     -130.522     
1 1 1 2  29 11 o 0 -0.6   7.3   ?    ?   93.4999  -133.4       12.19      46.6002      71.6843     46.6002      
1 1 1 2  29 12 o 0 59.3   7.8   ?    ?   343.524  14.5117      205.161    14.5117      11.7267     -165.488     
1 1 1 2  29 13 o 0 34.4   7.3   ?    ?   218.31   154.607      167.808    154.607      34.096      154.607      
1 1 1 2  29 14 o 0 47.8   8     ?    ?   307.488  -148.057     181.302    -148.057     5.35121     31.9435      
1 1 1 2  29 15 o 0 -4.3   6.3   ?    ?   67.7721  -150.044     12.9632    29.9562      52.588      29.9562      
1 1 1 2  29 16 o 0 29.4   4.9   ?    ?   173.72   -165.474     165.357    -165.474     64.8082     -165.474     
1 1 1 2  29 17 o 0 3      3.8   ?    ?   102.311  -2.50278     11.8887    177.497      70.4773     177.497      
1 1 1 2  29 18 o 0 25.8   5.4   ?    ?   179.964  -35.3863     144.202    -35.3862     43.4516     -35.3862     
1 1 1 2  29 19 o 0 3      4     ?    ?   57.41    24.2648      5.66956    24.2648      24.3053     -155.735     
1 1 1 2  29 20 o 0 1      3.9   ?    ?   135.158  -22.9892     17.1193    157.011      86.8172     157.011      
1 1 1 2  29 21 o 0 8.4    3.8   ?    ?   77.52    55.8466      59.5257    55.8466      23.6879     55.8466      
1 1 1 2  30 0  o 0 162.6  23.1  ?    ?   569.508  180          371.762    180          0.792683    -180         
1 1 1 2  30 1  f 1 44.7   8.2   ?    ?   381.964  -19.837      126.846    -19.837      121.103     160.163      
1 1 1 2  30 2  o 0 7.3    8.6   ?    ?   83.2277  0.402706     23.2318    0.402706     30.8509     -179.597     
1 1 1 2  30 3  o 0 36.6   8     ?    ?   272.437  -57.5247     150.454    -57.5247     26.1909     122.475      
1 1 1 2  30 4  o 0 18.9   6.7   ?    ?   250.597  -102.027     55.1558    -102.027     106.867     77.9728      
1 1 1 2  30 5  o 0 16.9   8.5   ?    ?   157.59   88.7282      75.0472    88.7282      26.4877     -91.2718     
1 1 1 2  30 6  o 0 56.4   9.7   ?    ?   150.731  41.9752      289.285    41.9752      192.567     41.9752      
1 1 1 2  30 7  o 0 -0.4   6.4   ?    ?   39.169   -14.0997     6.04764    165.9        31.0621     165.9        
1 1 1 2  30 9  o 0 250.9  24    ?    ?   602.081  -154.438     509.682    -154.438     137.754     -154.438     
1 1 1 2  30 10 o 0 50.5   7.4   ?    ?   371.257  -166.59      160.008    -166.59      67.8352     13.4102      
1 1 1 2  30 11 o 0 7.3    7.5   ?    ?   70.7206  -163.362     22.5393    -163.362     20.5537     16.6382      
1 1 1 2  30 12 o 0 3.6    7     ?    ?   102.695  -1.95005     8.60378    -1.95005     51.7771     178.05       
1 1 1 2  30 13 o 0 39.6   6.4   ?    ?   198.035  -18.8639     204.393    -18.8639     88.9198     -18.8639     
1 1 1 2  30 14 o 0 17.2   6.6   ?    ?   205.002  168.391      74.7451    168.391      42.3897     -11.6086     
1 1 1 2  30 15 o 0 0.2    6     ?    ?   44.6921  42.2458      0.536653   42.2458      24.7587     -137.754     
1 1 1 2  30 16 o 0 -1.3   5.7   ?    ?   60.8733  167.156      5.58638    -12.8435     39.695      -12.8435     
1 1 1 2  30 17 o 0 44.4   6.4   ?    ?   156.42   83.7473      245.178    83.7473      163.34      83.7473      
1 1 1 2  30 18 o 0 10.2   4.1   ?    ?   92.153   99.3261      78.0749    99.3261      34.7746     99.3261      
1 1 1 2  30 19 o 0 12.8   4.4   ?    ?   50.6702  -49.1117     81.8168    -49.1117     58.288      -49.1117     
1 1 1 2  31 0  o 0 14.4   9.2   ?    ?   65.5137  -180         38.5808    180          2.19839     8.13493e-12  
1 1 1 2  31 1  o 0 155.4  15.9  ?    ?   560.658  -6.26178     353.409    -6.26179     4.67855     -6.26179     
1 1 1 2  31 2  o 0 -5     8.1   ?    ?   55.0422  176.045      6.51572    -3.9547      40.7044     -3.9547      
1 1 1 2  31 3  o 0 16.3   9.3   ?    ?   139.866  14.2247      78.471     14.2247      8.22662     -165.775     
1 1 1 2  31 4  o 0 124.2  14.7  ?    ?   379.673  125.722      380.22     125.722      145.513     125.722      
1 1 1 2  31 5  o 0 8.1    6.6   ?    ?   113.457  116.891      30.9569    116.891      37.0162     -63.1093     
1 1 1 2  31 6  f 1 13.7   6.9   ?    ?   103.886  -93.3349     69.7405    -93.3349     7.90848     -93.3349     
1 1 1 2  31 7  o 0 4.3    8.4   ?    ?   32.94    82.6084      10.5957    82.6084      8.96993     -97.3916     
1 1 1 2  31 8  o 0 32.9   10.3  ?    ?   93.9297  164.226      179.709    164.226      124.208     164.226      
1 1 1 2  31 9  o 0 116.5  15.8  ?    ?   486.547  -99.9003     293.886    -99.9003     8.07212     -99.9003     
1 1 1 2  31 10 o 0 16.2   7.1   ?    ?   114.894  -67.8873     94.07      -67.8873     27.7709     -67.8873     
1 1 1 2  31 11 f 1 6.4    9.3   ?    ?   60.7324  -103.805     32.0933    -103.805     2.61618     76.1951      
1 1 1 2  31 12 o 0 -0.1   5.7   ?    ?   27.4792  -33.0299     0.67796    146.97       16.3031     146.97       
1 1 1 2  31 13 o 0 99.4   10.6  ?    ?   441.465  44.5958      293.638    44.5958      58.6831     44.5958      
1 1 1 2  31 14 f 1 14.5   7.7   ?    ?   167.074  -151.558     72.1845    -151.558     15.7253     28.4417      
1 1 1 2  31 15 o 0 0.2    6.7   ?    ?   53.6528  115.092      19.2291    115.092      6.23558     -64.9075     
1 1 1 2  31 16 o 0 -1.5   7.7   ?    ?   135.701  -104.002     15.0169    -104.002     48.7467     75.9984      
1 1 1 2  32 0  o 0 -3.8   20    ?    ?   220.048  -180         55.6336    180          72.8939     8.86743e-14  
1 1 1 2  32 1  o 0 19.5   8.9   ?    ?   111.621  58.8506      112.743    58.8506      47.5842     58.8506      
1 1 1 2  32 2  o 0 5.3    6.4   ?    ?   103.177  -76.3543     20.7444    -76.3543     39.41       103.646      
1 1 1 2  32 3  o 0 21.7   18.4  ?    ?   260.288  104.199      58.903     104.199      92.5588     -75.8015     
1 1 1 2  32 4  o 0 42.5   11.6  ?    ?   157.881  -23.0271     224.83     -23.0271     133.195     -23.0271     
1 1 1 2  32 5  o 0 42.6   10.3  ?    ?   153.477  -49.8806     229.829    -49.8806     141.037     -49.8806     
1 1 1 2  32 6  o 0 -2.5   8.6   ?    ?   90.6779  -67.879      3.70546    -67.879      48.5523     112.121      
1 1 1 2  32 7  o 0 22.9   8.7   ?    ?   136.348  -13.2305     137.641    -13.2305     63.8175     -13.2305     
1 1 1 2  32 8  o 0 3.3    8.2   ?    ?   63.3805  -96.4625     26.1764    -96.4625     7.96444     83.5375      
1 1 1 2  32 9  o 0 4.9    6.7   ?    ?   265.419  134.501      27.2877    -45.4988     169.44      -45.4988     
1 1 1 2  32 10 f 1 38     10.5  ?    ?   195.226  66.3953      190.968    66.3953      87.3398     66.3953      
1 1 1 2  32 11 o 0 5.8    12.2  ?    ?   61.6116  107.549      60.4173    107.549      30.8448     107.549      
1 1 1 2  32 12 o 0 22.8   6.2   ?    ?   173.364  157.442      146.214    157.442      63.6312     157.442      
1 1 1 2  32 13 o 0 12.6   6.8   ?    ?   145.578  -135.291     79.8959    -135.291     11.1143     -135.291     
1 1 1 2  33 0  o 0 2.2    10.1  ?    ?   137.625  -1.69283e-14 34.8277    0            39.1602     180          
1 1 1 2  33 1  o 0 19.9   9.6   ?    ?   109.146  92.6387      115.338    92.6387      56.6864     92.6387      
1 1 1 2  33 2  o 0 8.3    7.1   ?    ?   72.428   117.317      43.9915    117.317      5.11435     117.317      
1 1 1 2  33 3  o 0 8.8    6.6   ?    ?   209.919  26.4601      34.6579    26.4601      67.4973     -153.54      
1 1 1 2  33 5  o 0 17.7   10.2  ?    ?   256.445  -149.063     62.3779    -149.063     61.7277     30.9369      
1 1 1 2  33 6  o 0 8.3    8.5   ?    ?   52.8854  -134.857     54.0478    -134.857     28.5499     -134.857     
1 1 1 2  33 7  o 0 7.8    6     ?    ?   66.1487  -151.873     53.0425    -151.873     21.2896     -151.873     
1 1 1 2  33 8  o 0 85.5   13    ?    ?   285.144  173.391      330.386    173.391      194.196     173.391      
1 1 1 3  0  1  o 0 2.7    0.4   ?    ?   263.055  -90          15.2363    -90          188.892     90           
1 1 1 3  0  2  o 0 2827.4 297.2 ?    ?   2126.96  180          1720.99    180          118.982     -180         
1 1 1 3  0  3  o 0 855.6  78    ?    ?   1268.75  90           947.942    90           8.36646     90           
1 1 1 3  0  4  o 0 13.4   1.4   ?    ?   259.26   180          64.9984    180          125.58      3.63176e-15  
1 1 1 3  0  5  o 0 92.2   8.6   ?    ?   164.498  -90          239.47     -90          118.803     -90          
1 1 1 3  0  6  o 0 321.7  29.6  ?    ?   1113.46  5.45338e-15  583.503    0            241.819     -180         
1 1 1 3  0  7  o 0 683.6  62.5  ?    ?   690.323  90           849.411    90           337.28      90           
1 1 1 3  0  8  o 0 56.9   6.3   ?    ?   358.669  -6.01718e-15 227.295    0            33.951      180          
1 1 1 3  0  9  o 0 66.8   9     ?    ?   411.516  90           253.979    90           45.7119     -90          
1 1 1 3  0  10 o 0 401.4  52.1  ?    ?   830.486  180          590.944    180          29.1092     180          
1 1 1 3  0  11 o 0 252    26.9  ?    ?   614.866  -90          469.704    -90          54.6173     -90          
1 1 1 3  0  12 o 0 131.9  14.2  ?    ?   525.94   180          338.804    180          15.1343     -2.77167e-13 
1 1 1 3  0  13 o 0 9.7    1.8   ?    ?   167.469  -90          31.2241    -90          87.834      90           
1 1 1 3  0  14 f 1 41.8   4.3   ?    ?   204.906  -1.78784e-14 139.876    0            4.67424     180          
1 1 1 3  0  15 o 0 3.1    1.8   ?    ?   139.448  90           6.18422    90           91.8404     -90          
1 1 1 3  0  16 o 0 136.8  13    ?    ?   117.115  0            284.526    0            198.538     0            
1 1 1 3  0  17 o 0 8.6    2.3   ?    ?   125.763  90           22.5893    90           69.0153     -90          
1 1 1 3  0  18 f 1 4.6    2.5   ?    ?   40.0069  1.21564e-13  3.00249    0            25.8069     -180         
1 1 1 3  0  19 o 0 892.3  94.3  ?    ?   1252.43  90           948.244    90           52.7722     90           
1 1 1 3  0  20 o 0 98.3   13.7  ?    ?   168.076  3.14545e-14  244.919    0            132.043     -2.68885e-14 
1 1 1 3  0  21 o 0 165.3  31.1  ?    ?   745.691  -90          375.91     -90          119.212     90           
1 1 1 3  0  22 o 0 58.7   12.9  ?    ?   377.402  -9.94185e-15 213.103    0            34.4481     180          
1 1 1 3  0  23 o 0 617.5  80.3  ?    ?   1218.11  -90          713.169    -90          83.9157     90           
1 1 1 3  0  24 o 0 334.5  35.9  ?    ?   1099.76  180          521.338    180          188.462     2.39772e-15  
1 1 1 3  0  25 o 0 7.7    5.1   ?    ?   119.595  -90          11.4895    -90          59.0576     90           
1 1 1 3  0  26 o 0 -1.9   5.6   ?    ?   51.4947  3.03306e-14  1.42496    0            28.5813     -180         
1 1 1 3  0  27 o 0 363.4  67.9  ?    ?   800.269  -90          472.22     -90          13.3232     -90          
1 1 1 3  0  28 o 0 24.6   8.7   ?    ?   389.266  180          99.8312    180          119.193     -2.56644e-14 
1 1 1 3  0  29 o 0 1017.6 107.7 ?    ?   1240.8   90           770.833    90           76.9069     90           
1 1 1 3  0  30 o 0 6.8    9.5   ?    ?   220.323  -1.46498e-14 22.3198    0            106.314     180          
1 1 1 3  0  31 o 0 84     15    ?    ?   452.588  90           226.522    90           35.4229     -90          
1 1 1 3  0  32 o 0 4.9    8.3   ?    ?   181.168  -180         17.7824    180          82.9562     3.01185e-14  
1 1 1 3  0  33 o 0 709.7  75.7  ?    ?   1259.74  -90          631.282    -90          55.0322     90           
1 1 1 3  0  34 o 0 100.6  14.2  ?    ?   247.721  3.40578e-15  232.452    0            107.373     -3.9674e-15  
1 1 1 3  0  35 o 0 6.4    9.1   ?    ?   50.0575  -90          6.72317    -90          17.1344     90           
1 1 1 3  0  36 o 0 22.9   9.4   ?    ?   150.033  180          67.2972    180          1.64469     -2.60668e-13 
1 1 1 3  0  37 o 0 194.8  22.7  ?    ?   587.578  90           303.563    90           27.5902     90           
1 1 1 3  0  38 o 0 71.2   12.1  ?    ?   272.169  -6.19342e-15 220.993    0            62.9879     1.55362e-14  
1 1 1 3  0  39 o 0 51.7   12.7  ?    ?   383.485  90           179.069    90           38.6187     -90          
1 1 1 3  0  40 o 0 15.9   11.4  ?    ?   76.42    -3.24815e-14 40.3507    0            1.02518     180          
1 1 1 3  0  41 o 0 14.6   10.7  ?    ?   351.819  -90          72.0519    -90          108.418     90           
1 1 1 3  0  42 o 0 -4.8   11.1  ?    ?   101.784  -2.38314e-15 18.875     0            28.5576     180          
1 1 1 3  0  43 o 0 19.6   9.7   ?    ?   107.421  -90          76.3447    -90          32.1068     -90          
1 1 1 3  1  0  o 0 11     1.1   ?    ?   36.2875  -90          8.90139    -90          19.4149     90           
1 1 1 3  1  1  o 0 466.3  30.1  ?    ?   768.452  -146.024     815.689    -146.024     239.372     -146.024     
1 1 1 3  1  2  o 0 220.5  14.3  ?    ?   683.034  141.13       419.815    141.13       78.6564     -38.8705     
1 1 1 3  1  3  o 0 684    44.2  ?    ?   810.045  -69.0196     1041.11    -69.0196     458.109     -69.0196     
1 1 1 3  1  4  o 0 56.3   3.7   ?    ?   352.923  -82.3468     145.101    -82.3468     107.776     97.6532      
1 1 1 3  1  5  o 0 85.2   5.6   ?    ?   228.434  -9.22428     297.496    -9.22428     133.711     -9.22428     
1 1 1 3  1  6  o 0 89.2   5.9   ?    ?   396.718  -104.107     250.867    -104.107     37.2537     75.8932      
1 1 1 3  1  7  o 0 1793.9 123.7 ?    ?   1137.28  106.144      1837.61    106.144      1009.15     106.144      
1 1 1 3  1  8  f 1 181.3  15    ?    ?   684.929  40.3764      324.083    40.3764      165.432     -139.624     
1 1 1 3  1  9  o 0 71.6   6.1   ?    ?   531.839  -73.8982     105.829    -73.8982     275.808     106.102      
1 1 1 3  1  10 o 0 1013.6 82.8  ?    ?   1600.01  46.9045      773.585    46.9045      294.456     -133.095     
1 1 1 3  1  11 o 0 59.2   4.7   ?    ?   688.803  29.9449      40.8881    -150.055     500.262     -150.055     
1 1 1 3  1  14 o 0 116.4  7.7   ?    ?   609.922  -175.909     198.919    -175.909     228.435     4.09085      
1 1 1 3  1  15 o 0 66.6   4.6   ?    ?   687.762  -118.439     13.4001    61.5612      492.699     61.5612      
1 1 1 3  1  16 f 1 63.7   4.5   ?    ?   591.561  -158.834     52.7394    -158.834     377.03      21.1661      
1 1 1 3  1  18 o 0 25.7   2.7   ?    ?   340.912  -176.389     2.63528    -176.389     241.804     3.61091      
1 1 1 3  1  19 o 0 317    29.3  ?    ?   640.385  -21.8582     643.139    -21.8582     188.194     -21.8582     
1 1 1 3  1  20 o 0 308.3  32.9  ?    ?   783.655  -19.8957     495.198    -19.8957     27.9552     160.104      
1 1 1 3  1  21 o 0 70     6.7   ?    ?   224.482  -113.707     240.03     -113.707     91.8063     -113.707     
1 1 1 3  1  22 o 0 72.1   6.8   ?    ?   222.331  78.6044      245.088    78.6044      100.01      78.6044      
1 1 1 3  1  23 o 0 122.5  12    ?    ?   305.267  -150.435     369.001    -150.435     170.214     -150.435     
1 1 1 3  1  24 o 0 569.5  46.9  ?    ?   794.471  -120.518     820.544    -120.518     310.102     -120.518     
1 1 1 3  1  25 o 0 17.7   4.1   ?    ?   561.397  103.945      147.364    -76.0548     477.121     -76.0548     
1 1 1 3  1  26 f 1 22.9   4     ?    ?   216.645  71.5283      18.9824    71.5283      106.435     -108.472     
1 1 1 3  1  27 o 0 37.4   4.9   ?    ?   69.0659  63.3231      49.1108    63.3231      9.65317     63.3231      
1 1 1 3  1  28 o 0 261.3  20.3  ?    ?   777.809  127.637      344.835    127.637      91.2919     -52.3626     
1 1 1 3  1  29 o 0 134.3  12.5  ?    ?   583.94   115.312      213.985    115.312      111.53      -64.6877     
1 1 1 3  1  30 o 0 85.8   9.4   ?    ?   153.941  -67.6504     260.02     -67.6504     170.415     -67.6504     
1 1 1 3  1  31 o 0 77.1   10.3  ?    ?   395.325  -175.385     173.495    -175.385     54.6625     4.61528      
1 1 1 3  1  32 o 0 248.3  19.8  ?    ?   647.546  -132.618     393.46     -132.618     34.3354     -132.618     
1 1 1 3  1  33 o 0 81.5   9     ?    ?   273.998  6.42785      238.556    6.42785      89.645      6.42785      
1 1 1 3  1  34 f 1 22.3   6.1   ?    ?   130.183  126.293      58.1863    126.293      7.22774     -53.7065     
1 1 1 3  1  35 o 0 24.8   6.1   ?    ?   175.889  51.8659      79.4033    51.8659      4.24959     -128.134     
1 1 1 3  1  36 o 0 20.4   6     ?    ?   141.469  -51.9537     65.1395    -51.9537     0.259367    -51.9537     
1 1 1 3  1  37 o 0 40.6   7.3   ?    ?   251.671  -164.761     162.537    -164.761     16.1056     -164.761     
1 1 1 3  1  38 o 0 60.2   8.7   ?    ?   488.317  24.9429      112.6      24.9429      170.42      -155.057     
1 1 1 3  1  39 o 0 2.3    7.9   ?    ?   73.5301  -133.589     1.72132    -133.589     39.9554     46.4109      
1 1 1 3  1  40 o 0 24.8   9.9   ?    ?   171.495  -5.12245     107.939    -5.12245     15.2147     -5.12245     
1 1 1 3  1  41 o 0 15.3   8.1   ?    ?   128.116  127.386      67.4883    127.386      1.85138     127.386      
1 1 1 3  1  42 o 0 16.7   7.5   ?    ?   149.781  -143.978     83.8323    -143.978     14.1107     -143.978     
1 1 1 3  1  43 f 1 17     7.3   ?    ?   41.57    82.0413      78.5623    82.0413      61.5042     82.0413      
1 1 1 3  2  0  o 0 2.9    0.4   ?    ?   394.609  -90          23.3549    -90          277.635     90           
1 1 1 3  2  1  f 1 88.1   5.7   ?    ?   77.6022  -143.656     204.254    -143.656     147.226     -143.656     
1 1 1 3  2  2  o 0 618.3  40    ?    ?   1453.12  36.9374      510.485    36.9374      534.556     -143.063     
1 1 1 3  2  3  o 0 919.4  59.3  ?    ?   1188.1   -59.2683     1025.55    -59.2682     182.035     -59.2682     
1 1 1 3  2  6  o 0 459.6  29.8  ?    ?   786.83   -100.201     756.752    -100.201     192.982     -100.201     
1 1 1 3  2  7  o 0 550.6  41.2  ?    ?   679.647  157.398      956.99     157.398      468.375     157.398      
1 1 1 3  2  8  o 0 190.1  15.7  ?    ?   770.007  96.4786      282.742    96.4786      262.057     -83.5214     
1 1 1 3  2  9  o 0 108.2  9     ?    ?   236.137  -161.505     368.45     -161.505     201.032     -161.505     
1 1 1 3  2  10 o 0 91.7   6.5   ?    ?   579.168  42.539       135.057    42.539       247.164     -137.461     
1 1 1 3  2  11 o 0 2078.2 169.6 ?    ?   1678.51  -85.278      1475.83    -85.278      368.389     -85.278      
1 1 1 3  2  12 o 0 174.2  11.4  ?    ?   467.033  -67.9127     409.365    -67.9127     101.678     -67.9127     
1 1 1 3  2  14 f 1 943.1  61    ?    ?   1394.13  -92.0144     882.009    -92.0144     83.5947     87.9856      
1 1 1 3  2  15 o 0 1897.9 122.5 ?    ?   1347.58  11.1637      1650.54    11.1637      719.317     11.1637      
1 1 1 3  2  16 o 0 56     4.1   ?    ?   607.663  55.6115      8.26556    55.6115      430.829     -124.388     
1 1 1 3  2  17 f 1 20.8   2.5   ?    ?   341.471  -179.926     31.3629    0.0742809    275.773     0.0742809    
1 1 1 3  2  18 o 0 26.7   3.7   ?    ?   208.51   -176.334     48.7412    -176.334     99.7078     3.66563      
1 1 1 3  2  19 f 1 891.7  73    ?    ?   1129.62  172.487      1060.06    172.487      264.958     172.487      
1 1 1 3  2  20 f 1 153.2  13    ?    ?   298.71   60.7175      464.208    60.7175      266.562     60.7175      
1 1 1 3  2  21 o 0 13.2   2.8   ?    ?   379.404  176.228      100.918    -3.77243     349.941     -3.77243     
1 1 1 3  2  22 o 0 47.7   4.8   ?    ?   286.173  96.3972      134.524    96.3972      51.1587     -83.6028     
1 1 1 3  2  23 o 0 532.9  40.1  ?    ?   860.971  128.627      742.983    128.627      185.326     128.627      
1 1 1 3  2  24 o 0 136.2  10.9  ?    ?   346.787  -106.832     379.603    -106.832     157.925     -106.832     
1 1 1 3  2  25 o 0 103    8.7   ?    ?   442.886  -56.6106     224.507    -56.6106     34.3874     123.389      
1 1 1 3  2  26 o 0 41.5   5.5   ?    ?   155.007  34.761       99.6338    34.761       10.0782     34.761       
1 1 1 3  2  27 o 0 177.6  14.2  ?    ?   424.268  -59.507      386.059    -59.507      144.721     -59.507      
1 1 1 3  2  28 o 0 122.7  10.5  ?    ?   309.585  19.6962      317.888    19.6962      145.013     19.6962      
1 1 1 3  2  29 f 1 91.4   8.7   ?    ?   392.503  66.723       207.515    66.723       9.87179     -113.277     
1 1 1 3  2  30 o 0 122.5  11.9  ?    ?   309.598  133.637      328.648    133.637      149.104     133.637      
1 1 1 3  2  31 o 0 316.5  30    ?    ?   576.261  16.5419      526.723    16.5419      195.305     16.5419      
1 1 1 3  2  32 o 0 234.6  23    ?    ?   634.282  9.924        375.677    9.924        25.0774     9.924        
1 1 1 3  2  33 o 0 92.2   9.5   ?    ?   321.411  125.892      247.049    125.892      72.9205     125.892      
1 1 1 3  2  34 o 0 81.4   9.1   ?    ?   344.166  105.988      217.836    105.988      44.9722     105.988      
1 1 1 3  2  35 o 0 56.4   7.3   ?    ?   307.684  -63.2977     165.664    -63.2977     19.7426     -63.2977     
1 1 1 3  2  36 o 0 49.7   7.5   ?    ?   378.491  -31.4609     119.359    -31.4609     53.7589     148.539      
1 1 1 3  2  37 f 1 94.4   9.6   ?    ?   347.515  -139.799     300.09     -139.799     98.9244     -139.799     
1 1 1 3  2  38 o 0 140.5  12.5  ?    ?   354.433  -159.439     401.184    -159.439     196.252     -159.439     
1 1 1 3  2  39 o 0 32.5   7.1   ?    ?   247.849  -102.069     125.516    -102.069     14.6473     77.9315      
1 1 1 3  2  40 o 0 43.3   10.5  ?    ?   285.38   -165.613     149.033    -165.613     4.93713     14.3871      
1 1 1 3  2  41 o 0 0.2    7.1   ?    ?   149.888  -92.117      13.0996    87.883       89.7366     87.883       
1 1 1 3  2  42 o 0 102.7  10.3  ?    ?   398.713  26.5407      284.034    26.5407      98.7883     26.5407      
1 1 1 3  2  43 o 0 9.2    7.5   ?    ?   149.227  53.2362      49.7437    53.2362      11.5401     -126.764     
1 1 1 3  3  0  o 0 3.8    0.5   ?    ?   260.415  90           20.5314    90           176.065     -90          
1 1 1 3  3  1  o 0 105.3  6.9   ?    ?   471.932  -74.8486     262.665    -74.8486     83.5027     105.151      
1 1 1 3  3  2  o 0 174.8  12.2  ?    ?   447.011  157.932      459.508    157.932      138.54      157.932      
1 1 1 3  3  3  f 1 53.8   3.8   ?    ?   72.4464  67.4472      98.8769    67.4472      47.6576     67.4472      
1 1 1 3  3  5  o 0 611.8  39.5  ?    ?   1182.22  153.623      684.928    153.623      155.485     -26.377      
1 1 1 3  3  6  o 0 828.4  61.8  ?    ?   1374.23  -83.4675     799.585    -83.4675     178.524     96.5325      
1 1 1 3  3  8  o 0 125.4  9.5   ?    ?   472.639  86.1755      308.684    86.1755      22.891      -93.8245     
1 1 1 3  3  9  o 0 108.1  8.2   ?    ?   366.76   20.81        295.238    20.81        55.5566     20.81        
1 1 1 3  3  10 o 0 143.2  10.9  ?    ?   615.459  32.7039      250.343    32.7039      152.194     -147.296     
1 1 1 3  3  11 o 0 2546.1 175.6 ?    ?   2159.29  -179.448     1434.09    -179.448     22.1223     -179.448     
1 1 1 3  3  12 o 0 299.1  20.8  ?    ?   948.486  -153.427     372.505    -153.427     284.576     26.5733      
1 1 1 3  3  13 o 0 51.9   4.2   ?    ?   222.494  -44.0382     159.198    -44.0382     5.43418     -44.0382     
1 1 1 3  3  14 o 0 79.8   5.8   ?    ?   300.995  177.575      249.249    177.575      41.964      177.575      
1 1 1 3  3  15 o 0 722.4  50.1  ?    ?   1467.92  161.082      587.739    161.082      418.539     -18.9177     
1 1 1 3  3  16 o 0 138.5  10.7  ?    ?   550.868  165.602      321.443    165.602      73.5508     -14.398      
1 1 1 3  3  18 o 0 25.7   3     ?    ?   167.012  173.126      45.0913    173.126      72.9691     -6.87406     
1 1 1 3  3  19 o 0 134.7  11.5  ?    ?   237.718  -73.905      460.986    -73.905      294.375     -73.905      
1 1 1 3  3  20 o 0 390.5  29.4  ?    ?   728.262  104.389      656.375    104.389      176.425     104.389      
1 1 1 3  3  21 f 1 13.7   3     ?    ?   76.0481  -110.295     6.98388    69.705       56.4577     69.705       
1 1 1 3  3  22 o 0 71.7   5.9   ?    ?   237.649  -139.093     239.051    -139.093     85.7795     -139.093     
1 1 1 3  3  23 o 0 662.2  46.1  ?    ?   1142.75  19.1175      714.02     19.1175      21.8769     -160.883     
1 1 1 3  3  24 o 0 124    9.5   ?    ?   405.819  -23.0508     295.962    -23.0508     56.7285     -23.0508     
1 1 1 3  3  25 o 0 155    10.9  ?    ?   515.349  -164.741     306.141    -164.741     5.56984     -164.741     
1 1 1 3  3  26 o 0 80.8   6.5   ?    ?   401.28   -116.194     179.477    -116.194     51.1823     63.8059      
1 1 1 3  3  27 o 0 114.4  9.7   ?    ?   175.317  -111.983     324.576    -111.983     225.551     -111.983     
1 1 1 3  3  28 o 0 787.9  72.4  ?    ?   1038.07  51.7115      774.988    51.7115      198.041     51.7115      
1 1 1 3  3  29 o 0 158.4  14.4  ?    ?   389.749  -34.0963     353.942    -34.0963     138.498     -34.0963     
1 1 1 3  3  30 o 0 117.1  10.7  ?    ?   373.019  44.8913      287.976    44.8913      72.5874     44.8913      
1 1 1 3  3  31 o 0 232.3  18.5  ?    ?   494.062  -16.2421     444.252    -16.2421     161.287     -16.2421     
1 1 1 3  3  32 o 0 405.8  31.1  ?    ?   680.415  77.9401      583.542    77.9401      208.941     77.9401      
1 1 1 3  3  33 o 0 41.2   7.7   ?    ?   527.87   -127.543     2.66154    52.457       287.548     52.457       
1 1 1 3  3  34 o 0 20.2   7.2   ?    ?   405.567  -151.541     26.9278    28.4587      229.883     28.4587      
1 1 1 3  3  35 o 0 27.6   6.2   ?    ?   313.2    -77.7447     58.0944    -77.7447     89.9186     102.255      
1 1 1 3  3  36 o 0 182.7  14.2  ?    ?   586.979  -172.464     320.661    -172.464     53.0918     -172.464     
1 1 1 3  3  37 o 0 99.4   10    ?    ?   215.497  -63.0423     372.322    -63.0423     247.662     -63.0423     
1 1 1 3  3  38 o 0 49.2   7.5   ?    ?   327.849  -170.778     158.633    -170.778     30.3376     9.22241      
1 1 1 3  3  39 o 0 6      6.9   ?    ?   149.384  86.3902      1.28997    86.3902      82.9364     -93.6098     
1 1 1 3  3  40 o 0 64.3   8.4   ?    ?   234.801  167.666      250.119    167.666      123.801     167.666      
1 1 1 3  3  41 o 0 89     10.2  ?    ?   407.247  -41.5857     236.679    -41.5857     29.0284     -41.5857     
1 1 1 3  3  42 o 0 24.7   7.8   ?    ?   215.256  10.7299      105.829    10.7299      6.08281     10.7299      
1 1 1 3  3  43 o 0 4.8    7.6   ?    ?   91.3351  66.4669      38.5849    66.4669      1.17071     66.4669      
1 1 1 3  4  0  o 0 1.3    0.4   ?    ?   7.78918  90           0.199626   90           5.66048     -90          
1 1 1 3  4  1  o 0 74.7   5.3   ?    ?   594.633  144.597      79.6323    144.597      357.29      -35.4031     
1 1 1 3  4  2  o 0 1390.2 95.9  ?    ?   1060.71  -18.4402     1561.77    -18.4402     796.831     -18.4402     
1 1 1 3  4  3  o 0 448    31    ?    ?   750.23   -112.867     766.767    -112.867     227.189     -112.867     
1 1 1 3  4  5  o 0 192.8  14.5  ?    ?   582.241  -106.397     413.69     -106.397     0.459766    73.6029      
1 1 1 3  4  6  f 1 428.7  32    ?    ?   996.39   -2.86213     552.536    -2.86213     140.443     177.138      
1 1 1 3  4  7  o 0 564.3  46.2  ?    ?   780.419  102.38       878.941    102.38       334.565     102.38       
1 1 1 3  4  8  f 1 527.9  43.2  ?    ?   1189.25  -144.735     559.657    -144.735     268.437     35.2653      
1 1 1 3  4  9  o 0 142.3  13.2  ?    ?   235.943  89.2875      426.73     89.2875      273.451     89.2875      
1 1 1 3  4  10 o 0 1772.6 122.2 ?    ?   2156.99  -161.874     970.518    -161.874     430.909     18.1256      
1 1 1 3  4  11 o 0 288.4  20.1  ?    ?   559.476  17.2897      567.473    17.2897      204.217     17.2897      
1 1 1 3  4  12 o 0 467.2  32.4  ?    ?   955.826  21.9082      624.2      21.9082      33.1108     -158.092     
1 1 1 3  4  14 o 0 218.1  18.1  ?    ?   560.398  41.8047      462.059    41.8047      79.016      41.8047      
1 1 1 3  4  15 o 0 115.1  9     ?    ?   474.132  110.829      301.528    110.829      37.823      -69.1711     
1 1 1 3  4  16 o 0 209.8  16    ?    ?   507.667  61.8039      519.346    61.8039      157.996     61.8039      
1 1 1 3  4  17 o 0 14.8   2.3   ?    ?   335.588  -68.7469     75.3258    111.253      312.645     111.253      
1 1 1 3  4  18 o 0 841.5  77    ?    ?   1164.6   38.494       968.039    38.494       150.579     38.494       
1 1 1 3  4  19 o 0 122.1  9.6   ?    ?   532.707  100.429      263.303    100.429      87.0523     -79.5708     
1 1 1 3  4  20 o 0 431.4  28.1  ?    ?   446.717  -167.169     878.147    -167.169     585.712     -167.169     
1 1 1 3  4  21 o 0 98.5   7.5   ?    ?   446.568  -7.93471     240.256    -7.93471     49.1197     172.065      
1 1 1 3  4  22 o 0 186.1  13.4  ?    ?   593.346  -109.101     369.764    -109.101     10.499      70.8993      
1 1 1 3  4  23 o 0 968.5  72.5  ?    ?   972.909  -39.3201     1115.35    -39.3201     492.662     -39.3201     
1 1 1 3  4  24 o 0 1331.2 92.1  ?    ?   1402.56  105.077      1049.78    105.077      227.864     105.077      
1 1 1 3  4  25 o 0 59.7   5.8   ?    ?   206.359  -20.9055     172.42     -20.9055     52.7565     -20.9055     
1 1 1 3  4  26 o 0 21.6   4     ?    ?   88.3807  -150.708     15.1167    -150.708     35.402      29.2918      
1 1 1 3  4  27 o 0 9.5    4.4   ?    ?   112.109  -161.19      26.7874    18.8101      89.7679     18.8101      
1 1 1 3  4  28 o 0 80.8   7.8   ?    ?   513.991  -52.0074     122.956    -52.0074     161.219     127.993      
1 1 1 3  4  29 f 1 143.6  11.7  ?    ?   654.351  -101.783     195.364    -101.783     163.584     78.2168      
1 1 1 3  4  30 o 0 47.3   6.5   ?    ?   332.605  -65.2363     103.192    -65.2363     87.9164     114.764      
1 1 1 3  4  31 o 0 202.5  18    ?    ?   447.972  -146.507     415.101    -146.507     159.756     -146.507     
1 1 1 3  4  32 f 1 28.5   6.4   ?    ?   525.994  -129.1       53.3372    50.8999      340.844     50.8999      
1 1 1 3  4  33 o 0 293.9  23.8  ?    ?   650.142  69.6333      463.037    69.6333      132.388     69.6333      
1 1 1 3  4  34 o 0 0.2    6.1   ?    ?   175.91   -92.4624     53.1347    87.5376      140.783     87.5376      
1 1 1 3  4  35 o 0 95.4   10.5  ?    ?   431.746  124.223      217.44     124.223      14.2604     124.223      
1 1 1 3  4  36 o 0 9.1    6.8   ?    ?   141.198  -24.1605     1.7223     -24.1605     62.3796     155.839      
1 1 1 3  4  37 o 0 182.9  16.9  ?    ?   460.339  44.835       439.302    44.835       174.056     44.835       
1 1 1 3  4  38 o 0 80.6   9.7   ?    ?   362.961  79.1924      242.7      79.1924      34.2904     79.1924      
1 1 1 3  4  39 f 1 18.2   6.4   ?    ?   207.063  76.5375      62.6294    76.5375      53.3867     -103.463     
1 1 1 3  4  40 o 0 9      6     ?    ?   163.7    177.206      17.7966    177.206      69.9548     -2.79438     
1 1 1 3  4  41 o 0 100.9  11.2  ?    ?   272.015  -174.77      330.728    -174.77      194.078     -174.77      
1 1 1 3  4  42 o 0 26.4   7.3   ?    ?   124.79   -119.241     146.079    -119.241     88.4483     -119.241     
1 1 1 3  4  43 o 0 3.1    6.7   ?    ?   158.198  -124.998     17.8362    -124.998     46.7559     55.0025      
1 1 1 3  5  0  o 0 5.1    0.7   ?    ?   90.5028  90           9.9078     90           58.8127     -90          
1 1 1 3  5  1  o 0 301.6  19.6  ?    ?   814.749  -15.6358     501.066    -15.6358     105.659     164.364      
1 1 1 3  5  2  o 0 933.1  64.4  ?    ?   1408.69  -17.8056     912.071    -17.8056     119.959     162.194      
1 1 1 3  5  3  o 0 193.8  13.5  ?    ?   830.508  126.322      256.797    126.322      344.151     -53.6777     
1 1 1 3  5  4  o 0 47.8   3.7   ?    ?   415.702  142.547      73.788     142.547      218.861     -37.4531     
1 1 1 3  5  5  o 0 131.4  12.1  ?    ?   523.361  -7.68113     293.851    -7.68113     72.6344     172.319      
1 1 1 3  5  6  o 0 730.7  66.8  ?    ?   889.377  148.434      1002.2     148.434      381.277     148.434      
1 1 1 3  5  7  o 0 2934.5 238.8 ?    ?   2161.17  176.507      1714.22    176.507      207.726     176.507      
1 1 1 3  5  8  o 0 140.7  9.2   ?    ?   362.143  -34.0069     379.05     -34.0069     144.489     -34.0069     
1 1 1 3  5  9  o 0 40.1   3.3   ?    ?   273.044  145.862      89.4702    145.862      87.2592     -34.1378     
1 1 1 3  5  10 o 0 203.3  14.2  ?    ?   423.43   -165.856     485.113    -165.856     211.301     -165.856     
1 1 1 3  5  11 o 0 1344.4 123.1 ?    ?   1359.24  14.9336      1222.05    14.9336      290.985     14.9336      
1 1 1 3  5  12 o 0 26.4   2.8   ?    ?   305.6    -66.669      9.8615     -66.669      199.025     113.331      
1 1 1 3  5  14 f 1 25.6   2.5   ?    ?   136.149  -105.436     31.7536    -105.436     60.4458     74.5638      
1 1 1 3  5  15 o 0 77     6.2   ?    ?   658.72   -111.024     57.8384    -111.024     410.398     68.9764      
1 1 1 3  5  16 f 1 465.4  42.7  ?    ?   942.184  12.138       671.425    12.138       7.14839     12.138       
1 1 1 3  5  17 o 0 5.7    2.1   ?    ?   116.002  13.5614      53.966     -166.439     135.43      -166.439     
1 1 1 3  5  18 f 1 22.6   2.8   ?    ?   284.913  -104.606     3.9978     -104.606     194.097     75.394       
1 1 1 3  5  19 f 1 212.4  14.1  ?    ?   733.53   -1.40476     349.133    -1.40476     130.984     178.595      
1 1 1 3  5  20 o 0 80.3   5.8   ?    ?   286.909  27.8302      257.899    27.8302      71.3501     27.8302      
1 1 1 3  5  21 o 0 109.1  8.3   ?    ?   422.333  84.285       281.579    84.285       9.73082     84.285       
1 1 1 3  5  22 o 0 409.3  28.6  ?    ?   814.927  72.3758      605.165    72.3758      80.797      72.3758      
1 1 1 3  5  23 o 0 160.7  11.8  ?    ?   848.641  71.6217      152.485    71.6217      387.181     -108.378     
1 1 1 3  5  24 o 0 145.8  11    ?    ?   589.734  -138.503     249.215    -138.503     94.2009     41.4969      
1 1 1 3  5  25 o 0 150.4  11.7  ?    ?   575.828  -136.156     261.895    -136.156     69.961      43.8437      
1 1 1 3  5  26 o 0 22.9   4.9   ?    ?   257.508  -138.508     10.2827    -138.508     136.023     41.4924      
1 1 1 3  5  27 o 0 278.8  21.5  ?    ?   566.641  -154.575     479.168    -154.575     162.715     -154.575     
1 1 1 3  5  28 o 0 81.5   8.5   ?    ?   496.468  57.1377      132.401    57.1377      140.508     -122.862     
1 1 1 3  5  29 o 0 87     7.8   ?    ?   409.622  -173.159     185.157    -173.159     38.8576     6.8412       
1 1 1 3  5  30 o 0 24.7   5.3   ?    ?   154.003  -15.5318     50.2668    -15.5318     38.644      164.468      
1 1 1 3  5  31 o 0 69.5   7.3   ?    ?   346.409  103.023      171.265    103.023      25.1323     -76.9768     
1 1 1 3  5  32 f 1 327.2  26    ?    ?   846.754  -26.8699     394.132    -26.8699     66.2856     153.13       
1 1 1 3  5  33 o 0 162.3  15.2  ?    ?   391.644  -136.616     374.46     -136.616     176.292     -136.616     
1 1 1 3  5  34 o 0 13.7   6.4   ?    ?   70.4891  -117.377     14.6978    -117.377     19.0182     62.623       
1 1 1 3  5  35 o 0 42.4   7.4   ?    ?   247.83   95.5041      142.703    95.5041      28.2501     95.5041      
1 1 1 3  5  36 o 0 322.9  27.5  ?    ?   641.129  -71.613      482.888    -71.613      193.201     -71.613      
1 1 1 3  5  37 o 0 17.4   6.2   ?    ?   109.762  42.2878      60.9928    42.2878      1.95974     -137.712     
1 1 1 3  5  38 o 0 90.8   10    ?    ?   403.659  27.7002      249.082    27.7002      18.349      27.7002      
1 1 1 3  5  39 o 0 8.2    6.5   ?    ?   153.11   -44.2041     17.6506    -44.2041     66.1176     135.796      
1 1 1 3  5  40 o 0 49.7   7.5   ?    ?   296.566  59.3257      176.498    59.3257      22.5748     59.3257      
1 1 1 3  5  41 o 0 103.8  9.4   ?    ?   384.521  163.15       288.208    163.15       95.8486     163.15       
1 1 1 3  5  42 o 0 17.9   7.8   ?    ?   236.644  -107.768     57.2912    -107.768     51.5495     72.2318      
1 1 1 3  6  0  o 0 18.4   1.9   ?    ?   283.73   90           92.6154    90           118.661     -90          
1 1 1 3  6  1  o 0 1250.5 80.7  ?    ?   1500.41  -12.0773     1152.45    -12.0773     53.1788     -12.0773     
1 1 1 3  6  2  o 0 456.8  34.2  ?    ?   620.812  -89.9513     868.715    -89.9513     420.318     -89.9513     
1 1 1 3  6  3  o 0 1209.8 98.7  ?    ?   1487.75  143.515      1085.98    143.515      23.8751     143.515      
1 1 1 3  6  4  o 0 60.6   5.1   ?    ?   368.283  21.193       153.792    21.193       106.788     -158.807     
1 1 1 3  6  5  o 0 431.1  35.2  ?    ?   1050.23  149.756      521.263    149.756      217.024     -30.244      
1 1 1 3  6  6  o 0 154.4  12.7  ?    ?   547.376  139.791      314.824    139.791      41.3931     -40.2087     
1 1 1 3  6  7  o 0 543.1  40.5  ?    ?   1123.72  13.8457      579.225    13.8457      149.723     -166.154     
1 1 1 3  6  8  o 0 32.3   3     ?    ?   380.549  65.7094      12.1036    65.7094      234.163     -114.291     
1 1 1 3  6  10 o 0 293.7  24.3  ?    ?   832.062  105.408      433.188    105.408      135.657     -74.5921     
1 1 1 3  6  11 o 0 298.5  20.8  ?    ?   901.367  -124.295     396.124    -124.295     218.637     55.7052      
1 1 1 3  6  13 o 0 38     2.9   ?    ?   49.0743  -117.057     38.2152    -117.057     4.95771     -117.057     
1 1 1 3  6  14 o 0 30.4   3.2   ?    ?   434.788  -100.162     15.0764    79.8377      323.715     79.8377      
1 1 1 3  6  15 o 0 12.6   2.3   ?    ?   48.2315  43.9181      7.42857    -136.082     41.4953     -136.082     
1 1 1 3  6  16 o 0 194.2  14.8  ?    ?   691.147  116.016      361.746    116.016      123.589     -63.984      
1 1 1 3  6  17 o 0 50.2   4.4   ?    ?   350.915  90.5476      129.034    90.5476      115.749     -89.4524     
1 1 1 3  6  18 o 0 213    14.1  ?    ?   710.289  -179.774     365.276    -179.774     99.3702     0.225862     
1 1 1 3  6  19 o 0 157.8  10.6  ?    ?   453.085  -74.2967     392.672    -74.2967     97.3814     -74.2967     
1 1 1 3  6  20 o 0 473.7  30.9  ?    ?   1087.97  -71.3938     537.321    -71.3938     165.248     108.606      
1 1 1 3  6  21 o 0 82.2   6.1   ?    ?   196.04   151.696      274.855    151.696      149.526     151.696      
1 1 1 3  6  22 o 0 12.5   3     ?    ?   212.376  -0.332411    42.2909    179.668      178.022     179.668      
1 1 1 3  6  23 o 0 371.4  26.1  ?    ?   692.233  83.4657      569.049    83.4657      163.563     83.4657      
1 1 1 3  6  24 o 0 138.4  11.4  ?    ?   313.09   78.1629      361.241    78.1629      179.573     78.1629      
1 1 1 3  6  25 f 1 45.6   5.6   ?    ?   487.962  23.1056      24.3321    23.1056      254.331     -156.894     
1 1 1 3  6  26 o 0 1.7    4.4   ?    ?   39.7461  160.957      17.3794    -19.0431     39.8163     -19.0431     
1 1 1 3  6  27 o 0 111.9  10.1  ?    ?   525.015  -4.84462     196.408    -4.84462     94.941      175.155      
1 1 1 3  6  28 o 0 13.4   4.9   ?    ?   197.081  -101.718     23.1358    78.282       132.038     78.282       
1 1 1 3  6  29 o 0 44.7   5.8   ?    ?   228.254  -112.961     125.471    -112.961     6.43468     67.0387      
1 1 1 3  6  30 o 0 79.4   8.8   ?    ?   275.123  65.9201      230.622    65.9201      72.7407     65.9201      
1 1 1 3  6  31 o 0 370.5  25.1  ?    ?   670.072  -64.9402     550.036    -64.9402     179.981     -64.9402     
1 1 1 3  6  32 o 0 198.7  15.7  ?    ?   511.984  -22.6368     373.818    -22.6369     96.3323     -22.6369     
1 1 1 3  6  33 o 0 191.3  15.3  ?    ?   537.802  171.993      358.282    171.993      87.7099     171.993      
1 1 1 3  6  34 o 0 35.9   8.2   ?    ?   129.054  14.8144      122.933    14.8144      61.5501     14.8144      
1 1 1 3  6  35 o 0 27.1   7.7   ?    ?   228.172  -39.0867     86.1267    -39.0867     18.6703     140.913      
1 1 1 3  6  36 o 0 103.4  11.1  ?    ?   406.766  -129.16      237.342    -129.16      46.0975     -129.16      
1 1 1 3  6  37 o 0 119.7  10.9  ?    ?   254.389  80.3079      406.205    80.3079      258.154     80.3079      
1 1 1 3  6  38 o 0 32.4   6.7   ?    ?   142.914  -80.6627     164.827    -80.6627     83.3808     -80.6627     
1 1 1 3  6  39 o 0 2.4    6.1   ?    ?   125.485  -161.032     8.94876    18.9684      77.2543     18.9684      
1 1 1 3  6  40 o 0 4.8    6.7   ?    ?   146.428  -141.726     4.48422    -141.726     71.1363     38.2744      
1 1 1 3  6  41 o 0 39.8   7.1   ?    ?   285.688  -54.0903     142.903    -54.0903     0.683351    -54.0903     
1 1 1 3  6  42 o 0 14.1   6.4   ?    ?   188.651  133.585      56.0805    133.585      30.2702     -46.4146     
1 1 1 3  7  0  o 0 19.7   2.3   ?    ?   134.506  -90          53.5907    -90          46.4467     90           
1 1 1 3  7  1  o 0 178.8  13.5  ?    ?   442.692  -39.6467     481.528    -39.6467     156.76      -39.6467     
1 1 1 3  7  2  o 0 1127.1 84    ?    ?   1035.68  15.9443      1351.68    15.9443      601.33      15.9443      
1 1 1 3  7  3  o 0 705.2  48.7  ?    ?   1153.35  166.561      823.143    166.561      3.48065     -13.4387     
1 1 1 3  7  4  o 0 49.6   4.2   ?    ?   517.251  171.507      22.499     171.507      319.193     -8.4926      
1 1 1 3  7  5  o 0 67.5   6.3   ?    ?   381.198  -124.248     161.887    -124.248     88.1376     55.7523      
1 1 1 3  7  6  o 0 683.5  62.6  ?    ?   1026.29  -177.81      800.329    -177.81      130.964     -177.81      
1 1 1 3  7  7  o 0 739    55.1  ?    ?   1470.36  26.9297      577.957    26.9297      376.765     -153.07      
1 1 1 3  7  10 o 0 247.8  17.3  ?    ?   580.313  -84.6751     508.566    -84.6751     112.887     -84.6751     
1 1 1 3  7  11 o 0 445.9  31    ?    ?   613.66   120.946      804.964    120.946      387.939     120.946      
1 1 1 3  7  12 o 0 138    9.8   ?    ?   572.155  73.8683      271.989    73.8683      115.407     -106.132     
1 1 1 3  7  14 o 0 76.3   7.3   ?    ?   301.296  95.5055      258.681    95.5055      45.9953     95.5055      
1 1 1 3  7  15 o 0 70     6.8   ?    ?   524.092  -28.7088     115.697    -28.7089     252.263     151.291      
1 1 1 3  7  16 o 0 513.7  47.3  ?    ?   658.676  -137.508     916.719    -137.508     457.099     -137.508     
1 1 1 3  7  17 o 0 7.5    2     ?    ?   239.195  -159.529     95.0992    20.4714      260.86      20.4714      
1 1 1 3  7  18 o 0 12.4   2.1   ?    ?   120.8    -43.7132     18.989     136.287      97.8466     136.287      
1 1 1 3  7  19 o 0 67.7   5.1   ?    ?   445.156  92.8759      141.609    92.8759      146.532     -87.1241     
1 1 1 3  7  20 o 0 176.4  12.7  ?    ?   667.459  3.91648      305.595    3.91648      122.445     -176.084     
1 1 1 3  7  21 o 0 36.8   3.6   ?    ?   338.382  -101.583     60.093     -101.583     157.016     78.4168      
1 1 1 3  7  22 o 0 103.6  8     ?    ?   261.25   -161.287     323.656    -161.287     157.853     -161.287     
1 1 1 3  7  23 o 0 514.9  35.9  ?    ?   1104.15  -111.208     510.947    -111.208     131.326     68.7915      
1 1 1 3  7  24 o 0 1033.8 71.7  ?    ?   1590.74  -66.8954     703.028    -66.8954     213.587     113.105      
1 1 1 3  7  25 f 1 75.2   7.7   ?    ?   417.758  49.7027      154.346    49.7027      82.5825     -130.297     
1 1 1 3  7  26 f 1 14.8   5.1   ?    ?   433.308  25.9194      100.462    -154.081     342.248     -154.081     
1 1 1 3  7  27 o 0 191.7  15.7  ?    ?   570.286  -34.1715     332.321    -34.1715     17.9918     -34.1715     
1 1 1 3  7  28 o 0 411.7  27.5  ?    ?   813.338  -59.1289     509.443    -59.1289     63.0214     -59.1289     
1 1 1 3  7  29 o 0 73     7.1   ?    ?   337.6    -14.9813     186.518    -14.9813     7.28556     165.019      
1 1 1 3  7  30 o 0 68.1   7.1   ?    ?   530.006  171.063      78.9207    171.063      223.239     -8.93663     
1 1 1 3  7  31 o 0 125.3  10.2  ?    ?   195.786  168.371      369.841    168.371      262.413     168.371      
1 1 1 3  7  32 o 0 203    14.9  ?    ?   638.223  -98.8425     335.49     -98.8425     10.1444     -98.8425     
1 1 1 3  7  33 o 0 159.1  13.3  ?    ?   678.271  113.346      232.864    113.346      106.237     -66.6543     
1 1 1 3  7  34 o 0 20.4   7     ?    ?   286.487  92.093       28.0435    92.093       107.378     -87.907      
1 1 1 3  7  35 o 0 25.7   8     ?    ?   263.614  -93.2381     68.8986    -93.2381     51.438      86.7619      
1 1 1 3  7  36 o 0 134.1  16.3  ?    ?   308.665  87.9163      413.944    87.9163      234.928     87.9163      
1 1 1 3  7  37 o 0 20.8   6.9   ?    ?   190.604  177.115      83.7564    177.115      26.5164     -2.88509     
1 1 1 3  7  38 o 0 119.8  11.1  ?    ?   419.839  -127.756     311.651    -127.756     73.7829     -127.756     
1 1 1 3  7  39 o 0 14.2   5.8   ?    ?   230.897  -177.353     31.8652    -177.353     93.0976     2.64746      
1 1 1 3  7  40 o 0 24.4   6.6   ?    ?   167.565  -132.773     120.401    -132.773     34.3548     -132.773     
1 1 1 3  7  41 o 0 151.7  14.2  ?    ?   564.574  8.51725      293.922    8.51725      14.4366     8.51725      
1 1 1 3  7  42 o 0 5.1    7.1   ?    ?   77.4129  65.8043      38.1307    65.8043      6.12495     65.8043      
1 1 1 3  8  0  o 0 18.3   2.3   ?    ?   435.88   -90          108.371    -90          192.442     90           
1 1 1 3  8  1  o 0 350.4  28.8  ?    ?   764.9    115.784      570.355    115.784      48.6165     115.784      
1 1 1 3  8  2  o 0 2013   149.8 ?    ?   1861.43  -43.4451     1356.62    -43.4451     100.849     -43.4451     
1 1 1 3  8  3  o 0 1868.5 152.3 ?    ?   1940.43  -128.597     1190.76    -128.597     105.347     51.4033      
1 1 1 3  8  4  o 0 133.1  11.1  ?    ?   458.952  136.85       318.494    136.85       14.5905     136.85       
1 1 1 3  8  5  f 1 814.6  66.6  ?    ?   1095.56  -106.969     902.694    -106.969     184.465     -106.969     
1 1 1 3  8  6  o 0 217.8  16.4  ?    ?   738.087  85.5065      336.408    85.5065      145.679     -94.4935     
1 1 1 3  8  7  o 0 1209.3 90.1  ?    ?   1112.45  40.6352      1302.09    40.6352      535.408     40.6352      
1 1 1 3  8  9  o 0 30.8   2.7   ?    ?   360.675  132.924      13.4835    132.924      232.858     -47.0764     
1 1 1 3  8  10 o 0 51.5   4.7   ?    ?   287.279  -65.3531     142.196    -65.3531     53.2026     114.647      
1 1 1 3  8  11 o 0 57.7   4.4   ?    ?   224.088  -18.1456     180.008    -18.1456     28.2301     -18.1456     
1 1 1 3  8  12 o 0 81.2   6.4   ?    ?   393.393  -29.6455     234.723    -29.6455     44.3113     150.355      
1 1 1 3  8  13 o 0 5.6    1.7   ?    ?   77.5928  -113.71      35.7693    66.2904      90.5412     66.2904      
1 1 1 3  8  15 o 0 109    8.5   ?    ?   431.583  -58.1644     300.509    -58.1644     0.749954    121.836      
1 1 1 3  8  16 o 0 24.1   2.7   ?    ?   179.246  -59.4365     35.1497    -59.4365     89.157      120.563      
1 1 1 3  8  17 o 0 22.5   2.6   ?    ?   147.391  -179.758     27.6262    -179.758     68.7052     0.242065     
1 1 1 3  8  18 o 0 33.9   3.3   ?    ?   475.709  58.8549      16.2635    -121.145     324.722     -121.145     
1 1 1 3  8  19 o 0 428.8  28    ?    ?   663.779  132.981      735.149    132.981      308.456     132.981      
1 1 1 3  8  20 o 0 561.6  39.1  ?    ?   711.387  53.4321      869.673    53.4321      416.666     53.4321      
1 1 1 3  8  21 o 0 161.8  11    ?    ?   431.258  -64.5606     396.876    -64.5606     122.147     -64.5606     
1 1 1 3  8  22 o 0 86     6.5   ?    ?   319.642  -50.1554     232.085    -50.1554     45.3147     -50.1554     
1 1 1 3  8  23 o 0 498.3  34.8  ?    ?   918.169  -92.1247     590.925    -92.1247     59.0701     -92.1247     
1 1 1 3  8  24 o 0 141    12.5  ?    ?   591.633  -154.934     231.846    -154.934     106.596     25.0664      
1 1 1 3  8  25 o 0 187.8  16.2  ?    ?   602.342  -119.233     314.277    -119.233     25.7383     60.7665      
1 1 1 3  8  26 o 0 126.2  12    ?    ?   385.534  126.836      293.567    126.836      79.4417     126.836      
1 1 1 3  8  27 o 0 117.5  9.9   ?    ?   499.229  -106.869     218.796    -106.869     54.39       73.1312      
1 1 1 3  8  28 o 0 262.4  19.4  ?    ?   647.292  -17.9322     396.799    -17.9322     44.0566     -17.9322     
1 1 1 3  8  29 o 0 322.3  21.9  ?    ?   762.17   121.586      437.896    121.586      1.01607     -58.4144     
1 1 1 3  8  30 o 0 251.2  17.7  ?    ?   612.438  -129.46      407.849    -129.46      61.1538     -129.46      
1 1 1 3  8  31 o 0 508.2  33.8  ?    ?   1005.52  127.108      521.632    127.108      26.2405     -52.8916     
1 1 1 3  8  32 o 0 138.3  11.2  ?    ?   402.161  130.787      325.142    130.787      121.551     130.787      
1 1 1 3  8  33 f 1 33.6   6.6   ?    ?   283.262  -27.2835     95.4194    -27.2835     39.9242     152.717      
1 1 1 3  8  34 o 0 9.1    6.5   ?    ?   44.0799  62.9837      0.516408   62.9837      20.1788     -117.016     
1 1 1 3  8  35 o 0 26.2   7     ?    ?   280.026  129.998      66.1788    129.998      60.7929     -50.0019     
1 1 1 3  8  36 o 0 18     7.4   ?    ?   248.384  116.149      37.4587    116.149      105.641     -63.8507     
1 1 1 3  8  37 o 0 28.6   7.2   ?    ?   171.308  -171.971     136.048    -171.971     37.5886     -171.971     
1 1 1 3  8  38 o 0 42.1   7.8   ?    ?   263.888  -60.6837     158.066    -60.6837     9.52325     -60.6837     
1 1 1 3  8  39 o 0 10.5   6.4   ?    ?   93.0609  14.3084      36.1308    14.3084      13.9119     -165.692     
1 1 1 3  8  40 o 0 31.8   6.9   ?    ?   233.018  -61.1226     134.546    -61.1226     16.9915     -61.1226     
1 1 1 3  8  41 f 1 -0.1   6.2   ?    ?   161.956  -102.002     9.87014    77.9976      84.8676     77.9976      
1 1 1 3  8  42 o 0 16.3   6     ?    ?   173.219  -83.5546     86.6712    -83.5546     15.4972     -83.5546     
1 1 1 3  9  0  f 1 4.5    1.3   ?    ?   80.2671  90           6.56608    90           48.5034     -90          
1 1 1 3  9  2  o 0 638.6  52.3  ?    ?   926.223  95.8712      844.138    95.8712      219.573     95.8712      
1 1 1 3  9  4  o 0 50.8   4     ?    ?   451.875  -71.9106     63.4512    -71.9106     235.981     108.089      
1 1 1 3  9  5  o 0 132.9  10.1  ?    ?   528.691  141.99       293.79     141.99       75.0901     -38.0098     
1 1 1 3  9  6  o 0 191.6  14.5  ?    ?   365.22   127.075      524.728    127.075      271.594     127.075      
1 1 1 3  9  7  o 0 766.1  70.2  ?    ?   882.787  21.3186      1025.23    21.3186      417.004     21.3186      
1 1 1 3  9  9  f 1 26.2   2.8   ?    ?   374.66   98.8342      19.3589    -81.1658     274.13      -81.1658     
1 1 1 3  9  10 o 0 81.9   6.5   ?    ?   509.419  74.0107      148.173    74.0107      197.411     -105.989     
1 1 1 3  9  11 o 0 996.1  69    ?    ?   1209.69  -45.1653     1115.89    -45.1653     256.95      -45.1653     
1 1 1 3  9  12 o 0 106.6  8.4   ?    ?   606.389  74.1525      189.839    74.1525      238.513     -105.847     
1 1 1 3  9  13 o 0 17.2   2.5   ?    ?   107.126  137.116      2.06273    137.116      73.1993     -42.8838     
1 1 1 3  9  14 o 0 388.9  32    ?    ?   878.051  116.362      595.285    116.362      17.9853     -63.6383     
1 1 1 3  9  15 o 0 46.1   4     ?    ?   195.759  44.8328      149.121    44.8328      13.2609     44.8328      
1 1 1 3  9  16 o 0 706.2  45.8  ?    ?   1115.03  -6.44586     807.271    -6.44586     81.1418     -6.44586     
1 1 1 3  9  17 o 0 6.9    2.1   ?    ?   212.823  107.086      81.6076    -72.9139     219.799     -72.9139     
1 1 1 3  9  18 f 1 137.6  10    ?    ?   468.339  5.42459      332.319    5.42459      31.4736     5.42459      
1 1 1 3  9  19 o 0 738.8  47.9  ?    ?   1226.15  91.5954      753.11     91.5954      29.5672     -88.4046     
1 1 1 3  9  20 o 0 1594.4 103   ?    ?   1485.1   171.398      1286.57    171.398      337.682     171.398      
1 1 1 3  9  21 o 0 58.5   4.9   ?    ?   348.61   -117.76      146.347    -117.76      74.104      62.24        
1 1 1 3  9  22 o 0 56.4   4.9   ?    ?   164.463  17.8488      155.95     17.8488      60.5665     17.8488      
1 1 1 3  9  23 o 0 11.8   3.7   ?    ?   76.3192  -118.208     12.0178    61.7921      55.8939     61.7921      
1 1 1 3  9  24 o 0 659    54.2  ?    ?   810.804  143.427      800.61     143.427      340.303     143.427      
1 1 1 3  9  25 o 0 195.4  17.3  ?    ?   372.259  -104.036     437.081    -104.036     228.992     -104.036     
1 1 1 3  9  26 o 0 109.8  8.5   ?    ?   502.076  -131.572     201.516    -131.572     75.2131     48.4277      
1 1 1 3  9  27 o 0 250.4  18.5  ?    ?   511.768  -160.36      450.358    -160.36      169.239     -160.36      
1 1 1 3  9  28 f 1 387    27.8  ?    ?   1101.74  158.521      342.325    158.521      289.539     -21.4787     
1 1 1 3  9  29 o 0 311.8  24.8  ?    ?   860.595  144.944      364.669    144.944      127.167     -35.0556     
1 1 1 3  9  30 o 0 43.9   6.1   ?    ?   312.219  20.7986      108.921    20.7986      62.9599     -159.201     
1 1 1 3  9  31 o 0 28.8   5.9   ?    ?   214.265  105.987      74.7434    105.987      41.1256     -74.0134     
1 1 1 3  9  32 f 1 67.7   7.4   ?    ?   577.624  63.379       77.7804    63.379       211.708     -116.621     
1 1 1 3  9  33 o 0 684    51.6  ?    ?   1002     -57.6118     696.098    -57.6118     219.661     -57.6118     
1 1 1 3  9  34 o 0 18.9   6.8   ?    ?   105.072  168.501      49.1916    168.501      0.902803    168.501      
1 1 1 3  9  35 o 0 10.1   7.3   ?    ?   178.42   160.359      6.38624    160.359      77.6319     -19.6411     
1 1 1 3  9  36 o 0 4.1    6     ?    ?   123.683  -86.8373     10.6522    93.1627      82.817      93.1627      
1 1 1 3  9  37 o 0 8.5    6.4   ?    ?   183.042  59.3393      4.96766    59.3393      99.711      -120.661     
1 1 1 3  9  38 o 0 13.4   7.2   ?    ?   286.71   118.608      0.793616   -61.3918     157.552     -61.3918     
1 1 1 3  9  39 o 0 13.9   6.2   ?    ?   172.275  46.2462      53.2893    46.2462      36.1583     -133.754     
1 1 1 3  9  40 o 0 -1.4   6.4   ?    ?   199.158  140.14       33.6561    -39.8599     133.427     -39.8599     
1 1 1 3  9  41 o 0 46.4   8.7   ?    ?   366.751  179.762      134.36     179.762      34.7323     -0.237839    
1 1 1 3  10 0  o 0 27.7   5.5   ?    ?   28.7359  90           16.0721    90           4.80316     -90          
1 1 1 3  10 1  o 0 500.2  45.8  ?    ?   1077.21  -32.6175     611.354    -32.6175     164.327     147.383      
1 1 1 3  10 2  o 0 318.2  23.9  ?    ?   886.791  82.2797      459.222    82.2796      173.803     -97.7204     
1 1 1 3  10 4  o 0 22.9   2.4   ?    ?   166.15   125.113      19.738     125.113      96.9497     -54.8874     
1 1 1 3  10 5  o 0 19.2   2     ?    ?   369.614  174.01       64.7042    -5.98963     322.384     -5.98963     
1 1 1 3  10 6  o 0 25.5   2.9   ?    ?   251.683  30.195       21.0668    30.195       153.205     -149.805     
1 1 1 3  10 7  o 0 39.4   3.7   ?    ?   350.339  73.9303      63.668     73.9303      177.386     -106.07      
1 1 1 3  10 10 o 0 19     2.5   ?    ?   51.671   56.2983      6.38764    56.2983      30.3703     -123.702     
1 1 1 3  10 11 f 1 457.4  37.8  ?    ?   1099.3   -16.6593     556.161    -16.6593     219.481     163.341      
1 1 1 3  10 12 f 1 37.2   4     ?    ?   321.271  149.309      78.7102    149.309      146.668     -30.6914     
1 1 1 3  10 13 o 0 2.2    1.6   ?    ?   138.618  -116.752     83.4835    63.2479      180.392     63.2479      
1 1 1 3  10 14 o 0 113.8  8.8   ?    ?   549.93   30.6666      243.613    30.6666      138.394     -149.333     
1 1 1 3  10 15 o 0 22.1   2.3   ?    ?   87.3289  111.561      18.7936    111.561      38.1345     -68.4392     
1 1 1 3  10 16 o 0 79.5   5.6   ?    ?   225.889  -109.614     269.635    -109.614     122.779     -109.614     
1 1 1 3  10 17 o 0 20.6   2.6   ?    ?   199.96   -65.8153     13.2483    -65.8153     115.727     114.185      
1 1 1 3  10 18 o 0 222.6  15.8  ?    ?   627.538  -115.94      422.196    -115.94      20.8581     -115.94      
1 1 1 3  10 19 o 0 992.7  68.8  ?    ?   1660.56  -2.18073     707.474    -2.18073     356.049     177.819      
1 1 1 3  10 20 o 0 1858.1 119.9 ?    ?   1841.14  -64.814      1227.92    -64.814      60.2617     -64.814      
1 1 1 3  10 21 o 0 182.6  12.4  ?    ?   692.024  -162.216     268.843    -162.216     133.898     17.7842      
1 1 1 3  10 22 o 0 33.2   3.7   ?    ?   204.033  104.481      69.1619    104.481      48.6151     -75.5195     
1 1 1 3  10 23 o 0 257.6  21.6  ?    ?   771.791  48.9008      345.908    48.9008      94.3195     -131.099     
1 1 1 3  10 24 f 1 180    16    ?    ?   477.936  150.322      363.724    150.322      95.8121     150.322      
1 1 1 3  10 25 o 0 826.3  57.6  ?    ?   1108.54  115.902      775.572    115.902      160.856     115.902      
1 1 1 3  10 26 o 0 98.6   8.7   ?    ?   308.006  -53.9936     259.057    -53.9936     88.7141     -53.9936     
1 1 1 3  10 27 o 0 66.4   6.5   ?    ?   475.863  -17.1457     103.576    -17.1457     172.106     162.854      
1 1 1 3  10 28 o 0 9.6    5.2   ?    ?   256.266  -25.2603     61.817     154.74       209.489     154.74       
1 1 1 3  10 29 o 0 413.1  29.7  ?    ?   823.013  128.724      512.225    128.724      45.6587     128.724      
1 1 1 3  10 30 o 0 85     8     ?    ?   319.376  86.1285      231.812    86.1284      57.4072     86.1284      
1 1 1 3  10 31 o 0 97.5   8.7   ?    ?   187.018  -5.54002     311.362    -5.54002     216.398     -5.54002     
1 1 1 3  10 32 o 0 150.8  12.6  ?    ?   568.241  75.1631      280.087    75.1631      6.82853     75.1631      
1 1 1 3  10 33 o 0 51.3   7.1   ?    ?   169.591  132.562      182.222    132.562      102.228     132.562      
1 1 1 3  10 34 o 0 18.2   7.1   ?    ?   180.414  152.668      46.3804    152.668      35.876      -27.3319     
1 1 1 3  10 35 o 0 7.6    6.5   ?    ?   176.195  -68.0249     10.0599    111.975      112.215     111.975      
1 1 1 3  10 36 o 0 29.1   7.2   ?    ?   172.44   -92.9241     139.456    -92.9241     39.6328     -92.9241     
1 1 1 3  10 37 o 0 116.5  9.9   ?    ?   407.043  86.8817      312.346    86.8817      81.3793     86.8817      
1 1 1 3  10 38 o 0 47.8   7.9   ?    ?   295.05   73.1474      167.841    73.1474      7.7718      73.1474      
1 1 1 3  10 39 f 1 26.1   7.1   ?    ?   137.037  174.095      135.974    174.095      65.5506     174.095      
1 1 1 3  10 40 o 0 -8     7.6   ?    ?   20.0969  -148.464     0.193788   31.5359      9.62268     31.5359      
1 1 1 3  10 41 o 0 10.9   7.4   ?    ?   157.96   -6.44673     56.846     -6.44673     8.79819     173.553      
1 1 1 3  11 0  o 0 11.3   2     ?    ?   195.878  -90          42.4373    -90          99.0704     90           
1 1 1 3  11 1  o 0 76.8   6     ?    ?   581.077  -2.13946     93.7156    -2.13946     322.839     177.861      
1 1 1 3  11 2  o 0 116.2  8.9   ?    ?   534.804  -47.9238     248.495    -47.9238     131.906     132.076      
1 1 1 3  11 3  o 0 44.9   5.2   ?    ?   382.699  101.208      76.9643    101.208      193.156     -78.7915     
1 1 1 3  11 4  o 0 30.7   2.7   ?    ?   448.254  23.7065      31.0233    -156.294     345.06      -156.294     
1 1 1 3  11 6  o 0 50.4   3.9   ?    ?   303.96   -5.47238     134.131    -5.47238     75.8567     174.528      
1 1 1 3  11 7  o 0 148.4  12.5  ?    ?   111.781  114.363      455.899    114.363      375.198     114.363      
1 1 1 3  11 8  o 0 69.5   6.9   ?    ?   365.563  -117.835     207.452    -117.835     54.8125     62.1649      
1 1 1 3  11 9  o 0 8      1.8   ?    ?   78.8896  -45.9626     28.4563    134.037      84.7073     134.037      
1 1 1 3  11 10 o 0 432.4  35.7  ?    ?   741.564  -116.814     761.835    -116.814     236.284     -116.814     
1 1 1 3  11 11 o 0 1154.8 94.6  ?    ?   1491.65  135.984      1045.64    135.984      5.0277      -44.0156     
1 1 1 3  11 12 o 0 381.6  35.1  ?    ?   1099.59  -66.9727     433.909    -66.9727     335.754     113.027      
1 1 1 3  11 13 o 0 12.1   2.2   ?    ?   162.174  -87.0808     33.3537    92.9192      146.129     92.9192      
1 1 1 3  11 14 o 0 759.7  52.6  ?    ?   1642.51  -36.2524     521.853    -36.2524     554.971     143.748      
1 1 1 3  11 15 o 0 622.8  43.2  ?    ?   1176.3   -122.497     668.035    -122.497     97.5628     57.503       
1 1 1 3  11 16 f 1 963.2  62.3  ?    ?   1244.28  -147.131     970.152    -147.131     168.609     -147.131     
1 1 1 3  11 17 f 1 96.2   6.7   ?    ?   398.56   -28.8017     256.063    -28.8017     1.42495     -28.8017     
1 1 1 3  11 18 o 0 130.7  9.6   ?    ?   434.768  53.1016      324.265    53.1016      45.2843     53.1016      
1 1 1 3  11 19 o 0 391.9  29.7  ?    ?   742.02   -164.84      616.92     -164.84      145.244     -164.84      
1 1 1 3  11 20 o 0 697.2  48.5  ?    ?   1174.67  -116.938     662.948    -116.938     22.5762     63.0619      
1 1 1 3  11 21 o 0 11     2.9   ?    ?   204.864  -102.778     45.0571    77.2223      163.703     77.2223      
1 1 1 3  11 22 o 0 74.9   6.7   ?    ?   305.564  -99.6459     199.494    -99.6459     24.53       -99.6459     
1 1 1 3  11 23 o 0 208.5  16.5  ?    ?   624.704  -79.1996     340.383    -79.1996     13.0274     100.8        
1 1 1 3  11 24 o 0 463.7  38.7  ?    ?   874.415  22.6114      552.939    22.6114      65.5919     22.6114      
1 1 1 3  11 25 o 0 145    12.6  ?    ?   448.085  -158.966     302.387    -158.966     55.9946     -158.966     
1 1 1 3  11 26 o 0 51.5   6.3   ?    ?   243.685  -18.4387     140.705    -18.4387     7.0734      -18.4387     
1 1 1 3  11 27 o 0 277.3  19    ?    ?   682.331  -120.591     420.487    -120.591     24.5042     -120.591     
1 1 1 3  11 28 o 0 405.3  29.2  ?    ?   867.888  76.3455      482.356    76.3455      13.4945     -103.655     
1 1 1 3  11 29 o 0 234.5  17.9  ?    ?   809.87   -8.02227     283.838    -8.02227     162.193     171.978      
1 1 1 3  11 30 o 0 56.3   7.2   ?    ?   281.217  -162.737     161.202    -162.737     8.94879     -162.737     
1 1 1 3  11 31 o 0 89     8.3   ?    ?   536.399  -68.8507     153.284    -68.8507     116.758     111.149      
1 1 1 3  11 32 o 0 18.7   6     ?    ?   219.233  78.6134      41.734     78.6134      62.7906     -101.387     
1 1 1 3  11 33 o 0 339.7  30    ?    ?   859.083  105.722      416.691    105.722      20.4948     105.722      
1 1 1 3  11 34 o 0 32.2   6.9   ?    ?   126.976  -63.769      124.251    -63.769      64.2009     -63.769      
1 1 1 3  11 35 o 0 -4.5   6.1   ?    ?   160.075  76.1562      52.0252    -103.844     145.9       -103.844     
1 1 1 3  11 36 o 0 32.6   6.5   ?    ?   188.433  37.8028      154.399    37.8027      46.0007     37.8027      
1 1 1 3  11 37 o 0 226    19.3  ?    ?   709.722  -3.75057     361.843    -3.75057     28.8067     176.249      
1 1 1 3  11 38 o 0 8.6    8.9   ?    ?   161.032  -96.9086     26.984     -96.9086     57.2566     83.0914      
1 1 1 3  11 39 o 0 16.5   8     ?    ?   151.965  178.233      75.6369    178.233      1.12849     -1.76677     
1 1 1 3  11 40 o 0 34.8   7.4   ?    ?   274.114  88.1533      133.159    88.1533      5.61761     88.1533      
1 1 1 3  11 41 o 0 23.4   6.7   ?    ?   134.008  -35.9245     139.243    -35.9245     84.0113     -35.9245     
1 1 1 3  12 0  o 0 6.3    1.7   ?    ?   16.6198  90           2.14507    90           9.50791     -90          
1 1 1 3  12 1  f 1 120.2  10.1  ?    ?   474.114  82.9136      332.345    82.9136      22.2153     -97.0864     
1 1 1 3  12 2  o 0 58.4   5.2   ?    ?   108.173  64.6217      173.779    64.6217      93.2432     64.6217      
1 1 1 3  12 3  o 0 403.4  30.3  ?    ?   814.284  112.428      700.037    112.428      98.0849     112.428      
1 1 1 3  12 5  o 0 111.1  7.9   ?    ?   487.215  30.9669      286.843    30.9669      68.3307     -149.033     
1 1 1 3  12 6  f 1 574.1  42.9  ?    ?   879.097  70.4369      888.845    70.4369      253.953     70.4369      
1 1 1 3  12 7  o 0 147.2  11.3  ?    ?   502.489  -154.325     376.463    -154.325     15.0258     -154.325     
1 1 1 3  12 8  o 0 86.6   7.6   ?    ?   165.636  -148.044     312.404    -148.044     194.036     -148.044     
1 1 1 3  12 9  o 0 23.5   3     ?    ?   264.004  116.821      16.5331    116.821      170.92      -63.1792     
1 1 1 3  12 10 o 0 110.6  12.4  ?    ?   542.52   -16.2201     240.981    -16.2201     141.749     163.78       
1 1 1 3  12 11 o 0 404.5  53.3  ?    ?   992.797  135.29       532.022    135.29       163.794     -44.7103     
1 1 1 3  12 12 o 0 72.3   7.2   ?    ?   216.974  108.929      246.087    108.929      103.364     108.929      
1 1 1 3  12 13 o 0 13.2   2.2   ?    ?   149.664  90.9264      20.9128    -89.0736     119.132     -89.0736     
1 1 1 3  12 14 o 0 207.2  13.7  ?    ?   588.843  31.8381      422.283    31.8381      38.6429     31.8381      
1 1 1 3  12 15 o 0 2332.3 160.7 ?    ?   2103.6   -118.572     1380.42    -118.572     20.3331     -118.572     
1 1 1 3  12 16 o 0 183.7  13.1  ?    ?   356.189  -122.149     492.687    -122.149     264.247     -122.149     
1 1 1 3  12 17 o 0 86     6.2   ?    ?   544.518  104.574      140.985    104.574      208.941     -75.4256     
1 1 1 3  12 18 o 0 9      2.2   ?    ?   96.0442  107.163      27.4849    -72.8368     88.6465     -72.8368     
1 1 1 3  12 19 o 0 92.6   7.4   ?    ?   494.579  177.229      171.872    177.229      117.384     -2.77125     
1 1 1 3  12 20 o 0 1736.6 119.9 ?    ?   1805.98  108.303      1061.19    108.303      12.5495     108.303      
1 1 1 3  12 21 o 0 150    13    ?    ?   710.248  40.1207      188.98     40.1207      218.951     -139.879     
1 1 1 3  12 22 o 0 85.4   7.7   ?    ?   509.006  -29.8882     139.256    -29.8882     149.735     150.112      
1 1 1 3  12 23 f 1 373.3  28.6  ?    ?   723.195  -15.3328     529.284    -15.3328     125.587     -15.3328     
1 1 1 3  12 24 o 0 1719.8 119   ?    ?   1960.58  166.226      910.777    166.226      172.412     -13.7743     
1 1 1 3  12 25 o 0 484.7  34.2  ?    ?   861.385  -101.751     568.103    -101.751     93.2073     -101.751     
1 1 1 3  12 26 o 0 12.6   5.5   ?    ?   111.814  60.1033      12.4783    -119.897     77.0905     -119.897     
1 1 1 3  12 27 o 0 42.6   5.4   ?    ?   279.871  152.881      108.457    152.881      52.5071     -27.1193     
1 1 1 3  12 28 o 0 411    29.5  ?    ?   1044.08  -123.914     400.276    -123.914     178.969     56.0857      
1 1 1 3  12 29 o 0 163.9  13.3  ?    ?   499.037  -84.095      320.812    -84.095      48.4573     -84.095      
1 1 1 3  12 30 o 0 37.1   6.5   ?    ?   200.273  46.6125      125.023    46.6125      23.3169     46.6125      
1 1 1 3  12 31 o 0 56.9   9     ?    ?   341.512  -179.365     156.057    -179.365     8.30868     0.634862     
1 1 1 3  12 32 o 0 44.4   7.6   ?    ?   309.893  114.82       129.974    114.82       14.401      -65.1805     
1 1 1 3  12 33 o 0 43.1   7     ?    ?   255.92   -6.5262      141.237    -6.52621     24.284      -6.52621     
1 1 1 3  12 34 o 0 68.8   7.3   ?    ?   419.058  -70.7805     186.412    -70.7805     57.3036     109.219      
1 1 1 3  12 35 o 0 8.5    5.8   ?    ?   86.5648  169.419      15.4473    169.419      34.8578     -10.5811     
1 1 1 3  12 36 o 0 93.1   10.1  ?    ?   557.824  -73.1162     170.866    -73.1162     147.127     106.884      
1 1 1 3  12 37 o 0 8.8    7.2   ?    ?   101.468  88.9262      29.105     88.9262      26.2419     -91.0738     
1 1 1 3  12 38 o 0 12.6   6.1   ?    ?   161.685  115.452      47.1917    115.452      36.6304     -64.5479     
1 1 1 3  12 39 o 0 6.1    6.7   ?    ?   138.003  8.34465      16.881     8.34465      52.2072     -171.655     
1 1 1 3  12 40 o 0 1      6.9   ?    ?   17.7405  -109.579     7.81795    -109.579     0.387873    -109.579     
1 1 1 3  13 0  o 0 -1.5   2.2   ?    ?   66.3872  90           0.764917   90           48.9688     -90          
1 1 1 3  13 1  o 0 57     4.7   ?    ?   177.57   -175.86      209.08     -175.86      76.8584     -175.86      
1 1 1 3  13 2  o 0 306.7  23.2  ?    ?   621.203  -9.39525     664.776    -9.39525     205.154     -9.39525     
1 1 1 3  13 3  o 0 175.2  12.4  ?    ?   452.358  -127.407     489.125    -127.407     156.616     -127.407     
1 1 1 3  13 4  o 0 23     2.2   ?    ?   312.093  146.462      3.53631    -33.5385     231.425     -33.5385     
1 1 1 3  13 5  o 0 185.2  13    ?    ?   692.984  -158.155     351.642    -158.155     151.014     21.8447      
1 1 1 3  13 6  o 0 322.1  24.4  ?    ?   795.237  165.698      558.555    165.698      14.4485     -14.3023     
1 1 1 3  13 7  o 0 408    37.3  ?    ?   876.848  -9.49252     638.779    -9.49252     11.144      -9.49252     
1 1 1 3  13 8  f 1 73.1   6.4   ?    ?   382.653  1.27536      211.636    1.27536      59.755      -178.725     
1 1 1 3  13 9  f 1 5.2    1.7   ?    ?   206.985  -43.8977     100.795    136.102      246.623     136.102      
1 1 1 3  13 10 f 1 834.3  88.3  ?    ?   1332.4   42.4232      794.461    42.4232      86.5581     -137.577     
1 1 1 3  13 11 o 0 250.6  27.3  ?    ?   578.595  18.751       515.694    18.751       132.976     18.751       
1 1 1 3  13 12 o 0 427.6  39.7  ?    ?   761.577  114.262      683.976    114.262      183.761     114.262      
1 1 1 3  13 13 o 0 34     3.8   ?    ?   312.713  -31.2295     60.8661    -31.2295     143.034     148.771      
1 1 1 3  13 14 o 0 69     5.1   ?    ?   551.137  170.714      87.5683    170.714      269.065     -9.28624     
1 1 1 3  13 15 o 0 1101.2 76.1  ?    ?   1233.97  39.5292      1091.6     39.5292      299.468     39.5292      
1 1 1 3  13 16 o 0 417    29.1  ?    ?   769.572  82.3835      643.639    82.3835      148.546     82.3835      
1 1 1 3  13 17 o 0 45.6   3.8   ?    ?   448.323  146.161      48.2272    146.161      237.646     -33.8389     
1 1 1 3  13 18 o 0 50.5   4.2   ?    ?   398.696  -105.115     85.7824    -105.115     147.772     74.8854      
1 1 1 3  13 19 o 0 513.5  35.9  ?    ?   829.744  21.2773      660.01     21.2773      177.277     21.2773      
1 1 1 3  13 20 o 0 118.7  10.5  ?    ?   741.207  -11.3729     103.867    -11.3729     322.851     168.627      
1 1 1 3  13 21 o 0 70.2   7.6   ?    ?   337.059  -15.2204     172.8      -15.2204     19.1042     164.78       
1 1 1 3  13 22 o 0 72.8   6.9   ?    ?   242.76   -108.498     209.502    -108.498     73.1931     -108.498     
1 1 1 3  13 23 o 0 140.4  10.3  ?    ?   428.414  38.0769      304.957    38.0769      67.3601     38.0769      
1 1 1 3  13 24 o 0 103.7  8.2   ?    ?   295.231  -111.388     276.508    -111.388     113.028     -111.388     
1 1 1 3  13 25 o 0 13.4   4.4   ?    ?   230.248  -107.367     30.0282    72.6328      163.739     72.6328      
1 1 1 3  13 26 o 0 13.2   4.9   ?    ?   284.87   95.686       46.3882    -84.314      211.142     -84.314      
1 1 1 3  13 27 f 1 63.5   7.1   ?    ?   560.711  -114.779     49.4782    -114.779     269.138     65.2212      
1 1 1 3  13 28 o 0 68.9   6.9   ?    ?   379.666  155.983      161.968    155.983      46.6619     -24.017      
1 1 1 3  13 29 o 0 96.5   9.1   ?    ?   462.921  90.6618      208.667    90.6618      28.1947     -89.3382     
1 1 1 3  13 30 o 0 24.7   6.5   ?    ?   96.3424  -175.422     59.8371    -175.422     11.3805     -175.422     
1 1 1 3  13 31 o 0 70.9   8.7   ?    ?   234.707  98.7325      231.825    98.7325      119.951     98.7325      
1 1 1 3  13 32 o 0 85.6   9.2   ?    ?   441.905  -179.137     194.476    -179.137     9.4154      0.863056     
1 1 1 3  13 33 o 0 62.1   6.9   ?    ?   233.985  -158.108     256.781    -158.108     119.293     -158.108     
1 1 1 3  13 34 o 0 31.9   6.9   ?    ?   202.224  -166.87      146.024    -166.87      27.2065     -166.87      
1 1 1 3  13 35 o 0 87.8   9.7   ?    ?   393.832  -145.706     248.363    -145.706     21.2087     -145.706     
1 1 1 3  13 36 o 0 17.6   6.5   ?    ?   217.053  95.2779      59.4757    95.2779      60.4011     -84.7221     
1 1 1 3  13 37 f 1 14.8   6.6   ?    ?   230.701  141.474      37.9519    141.474      82.9239     -38.526      
1 1 1 3  13 38 o 0 16.3   6.5   ?    ?   235.402  -54.6409     48.6803    -54.6409     70.8175     125.359      
1 1 1 3  13 39 o 0 70.7   9.2   ?    ?   286.642  19.4186      249.814    19.4186      115.685     19.4186      
1 1 1 3  13 40 o 0 47.4   8.3   ?    ?   351.052  -80.7139     160.135    -80.7139     14.5129     -80.7139     
1 1 1 3  14 0  o 0 2.2    2.4   ?    ?   159.744  90           5.71794    90           112.923     -90          
1 1 1 3  14 1  f 1 31.7   3.5   ?    ?   85.2146  -57.0259     55.2764    -57.0259     7.50866     122.974      
1 1 1 3  14 2  o 0 221.6  15.7  ?    ?   591.946  -115.315     508.349    -115.315     73.609      -115.315     
1 1 1 3  14 3  o 0 71.4   5.3   ?    ?   493.225  -100.448     145.692    -100.448     214.357     79.5518      
1 1 1 3  14 4  o 0 20     2.2   ?    ?   270.513  -71.1977     9.68847    108.802      205.928     108.802      
1 1 1 3  14 5  o 0 77.1   5.7   ?    ?   166.297  -88.4461     280.814    -88.4461     160.944     -88.4461     
1 1 1 3  14 7  o 0 323.1  22.6  ?    ?   828.237  153.319      503.825    153.319      52.9424     -26.6806     
1 1 1 3  14 8  o 0 27.5   2.8   ?    ?   84.1682  24.1252      36.2579    24.1252      19.9469     -155.875     
1 1 1 3  14 9  o 0 59.1   7.2   ?    ?   332.839  -89.8175     168.085    -89.8175     53.7003     90.1825      
1 1 1 3  14 10 o 0 364    47.3  ?    ?   692.068  -140.364     632.032    -140.364     174.052     -140.364     
1 1 1 3  14 12 o 0 445.7  37.1  ?    ?   651.68   -10.2644     774.292    -10.2644     349.206     -10.2644     
1 1 1 3  14 13 o 0 15.8   2.5   ?    ?   112.741  46.6336      2.68721    -133.366     75.6718     -133.366     
1 1 1 3  14 14 o 0 104.8  7.3   ?    ?   132.652  51.3407      316.716    51.3407      230.613     51.3407      
1 1 1 3  14 15 o 0 2374.5 176.7 ?    ?   1944.45  60.8542      1478.85    60.8542      227.13      60.8542      
1 1 1 3  14 16 o 0 171.1  12.3  ?    ?   566.298  -106.712     318.706    -106.712     16.4318     73.2877      
1 1 1 3  14 17 o 0 131.1  9.1   ?    ?   416.103  -66.4201     306.141    -66.4201     62.1315     -66.4201     
1 1 1 3  14 18 o 0 95.5   7     ?    ?   550.537  37.038       149.389    37.038       171.337     -142.962     
1 1 1 3  14 19 o 0 251.7  17.8  ?    ?   480.423  -154.335     494.244    -154.335     217.195     -154.335     
1 1 1 3  14 20 o 0 1874.8 152.9 ?    ?   1911.83  -120.828     1041.71    -120.828     49.0442     59.1719      
1 1 1 3  14 21 o 0 31.8   5.9   ?    ?   378.155  -96.6532     17.754     -96.6532     195.11      83.3468      
1 1 1 3  14 22 o 0 77.5   7.1   ?    ?   344.51   -170.118     190.473    -170.118     1.1579      9.88151      
1 1 1 3  14 23 o 0 282.2  19.1  ?    ?   848.185  -16.8636     328.43     -16.8636     142.867     163.136      
1 1 1 3  14 24 o 0 1243.9 80.7  ?    ?   1368.71  -55.7359     972.661    -55.7359     174.637     -55.7359     
1 1 1 3  14 25 o 0 303.3  22.1  ?    ?   785.772  164.943      401.306    164.943      55.2178     -15.0572     
1 1 1 3  14 26 o 0 16.1   4.9   ?    ?   127.263  -26.849      9.11958    -26.849      63.756      153.151      
1 1 1 3  14 27 o 0 33.8   6.6   ?    ?   63.9754  20.105       64.233     20.105       28.8753     20.105       
1 1 1 3  14 28 o 0 66     7.4   ?    ?   221.729  76.0029      223.308    76.0029      109.131     76.0029      
1 1 1 3  14 29 o 0 23.6   5.3   ?    ?   321.598  74.2571      29.4376    74.2571      133.453     -105.743     
1 1 1 3  14 30 o 0 7.4    5.9   ?    ?   58.7644  23.0691      3.81096    -156.931     32.0369     -156.931     
1 1 1 3  14 31 o 0 7.8    6.6   ?    ?   236.806  67.9275      24.213     -112.073     134.389     -112.073     
1 1 1 3  14 32 o 0 72.7   8.8   ?    ?   472.875  38.1753      139.295    38.1753      86.6287     -141.825     
1 1 1 3  14 33 o 0 79.2   9     ?    ?   330.15   122.87       265.025    122.87       69.1512     122.87       
1 1 1 3  14 34 o 0 29.8   6     ?    ?   234.078  103.896      121.927    103.896      14.1974     -76.1038     
1 1 1 3  14 35 f 1 13.5   5.9   ?    ?   108.624  38.0009      52.6331    38.0009      9.21731     -141.999     
1 1 1 3  14 36 o 0 29.4   6.3   ?    ?   265.181  137.698      107.074    137.698      37.8822     -42.3021     
1 1 1 3  14 37 f 1 28.7   7     ?    ?   285.284  -63.7937     99.5527    -63.7937     46.7158     116.206      
1 1 1 3  14 38 o 0 19.7   6.8   ?    ?   194.352  -27.9786     91.8374    -27.9786     0.318427    152.021      
1 1 1 3  14 39 o 0 13.2   6.1   ?    ?   162.165  131.484      71.9186    131.484      3.70382     131.484      
1 1 1 3  15 0  o 0 11.9   3.7   ?    ?   70.5469  90           16.3556    90           32.6763     -90          
1 1 1 3  15 1  o 0 93.6   7     ?    ?   422.405  12.6709      255.233    12.6709      36.9309     -167.329     
1 1 1 3  15 2  o 0 2039.3 131.7 ?    ?   1858.67  150.16       1459.6     150.16       180.769     150.16       
1 1 1 3  15 3  f 1 94.7   7     ?    ?   466.935  -120.105     231.86     -120.105     86.7861     59.8951      
1 1 1 3  15 4  o 0 75     5.8   ?    ?   247.909  22.9405      263.333    22.9405      93.9329     22.9405      
1 1 1 3  15 5  o 0 183.3  12.2  ?    ?   659.454  37.887       344.138    37.887       103.727     -142.113     
1 1 1 3  15 6  o 0 276.8  19.4  ?    ?   889.708  -34.1261     381.822    -34.1261     218.615     145.874      
1 1 1 3  15 7  o 0 1678.7 125.1 ?    ?   1747.23  -142.703     1237.87    -142.703     66.341      -142.703     
1 1 1 3  15 8  o 0 24.8   2.6   ?    ?   318.392  89.7037      7.3272     89.7037      204.741     -90.2963     
1 1 1 3  15 9  o 0 49.4   4.5   ?    ?   308.598  -49.8164     136.872    -49.8164     67.2738     130.184      
1 1 1 3  15 10 o 0 337.8  31.6  ?    ?   423.346  -138.879     751.717    -138.879     473.624     -138.879     
1 1 1 3  15 11 o 0 1265.2 134.5 ?    ?   1349.7   -82.3397     1143.62    -82.3397     263.427     -82.3397     
1 1 1 3  15 12 o 0 283.2  23.6  ?    ?   651.611  -104.401     517.985    -104.401     91.7367     -104.401     
1 1 1 3  15 13 o 0 16.5   2.8   ?    ?   187.466  142.695      11.3963    -37.3048     133.072     -37.3048     
1 1 1 3  15 14 o 0 60.8   4.7   ?    ?   268.052  108.722      186.804    108.722      14.2353     108.722      
1 1 1 3  15 15 o 0 237.6  16.8  ?    ?   977.054  116.962      212.561    116.962      365.803     -63.0383     
1 1 1 3  15 16 o 0 1111.1 76.8  ?    ?   1543.32  -56.2625     808.711    -56.2625     96.7223     123.737      
1 1 1 3  15 17 o 0 41.8   3.9   ?    ?   244.38   -77.5708     102.425    -77.5708     40.0428     102.429      
1 1 1 3  15 18 o 0 222.7  17    ?    ?   688.969  -41.4561     337.984    -41.4561     59.7264     138.544      
1 1 1 3  15 19 o 0 168.1  13.1  ?    ?   589.254  143.19       287.863    143.19       48.7742     -36.8099     
1 1 1 3  15 20 o 0 1014.1 76    ?    ?   1319.12  96.6685      820.692    96.6685      76.878      96.6685      
1 1 1 3  15 21 o 0 84     7.9   ?    ?   417.215  -147.901     178.218    -147.901     54.35       32.099       
1 1 1 3  15 22 o 0 26.3   4.4   ?    ?   210.136  -103.547     45.427     -103.547     71.6382     76.4535      
1 1 1 3  15 23 o 0 139.5  11.2  ?    ?   553.482  35.0225      252.214    35.0225      71.4855     -144.977     
1 1 1 3  15 24 o 0 435.9  29    ?    ?   960.97   123.156      477.869    123.156      82.4486     -56.8437     
1 1 1 3  15 25 o 0 181    16    ?    ?   478.181  -173.162     365.027    -173.162     90.0698     -173.162     
1 1 1 3  15 26 o 0 11.7   5.5   ?    ?   73.2528  170.858      1.47011    -9.14215     42.1456     -9.14215     
1 1 1 3  15 27 o 0 28.7   5.6   ?    ?   202.303  160.738      90.5096    160.738      14.2155     -19.2625     
1 1 1 3  15 28 o 0 131.7  11.3  ?    ?   234.056  -94.3265     378.141    -94.3265     258.891     -94.3265     
1 1 1 3  15 29 o 0 114.2  10.2  ?    ?   364.388  68.8498      296        68.8498      119.833     68.8498      
1 1 1 3  15 30 o 0 32.3   8     ?    ?   213.407  -27.086      114.164    -27.086      14.163      -27.086      
1 1 1 3  15 31 o 0 25.9   6.5   ?    ?   177.518  159.287      90.5929    159.287      8.88913     159.287      
1 1 1 3  15 32 o 0 1      6.2   ?    ?   122.207  -22.9217     28.8748    157.078      100.552     157.078      
1 1 1 3  15 33 o 0 65.8   7.6   ?    ?   209.093  -73.0989     278.353    -73.0989     155.642     -73.0989     
1 1 1 3  15 34 o 0 26.3   5.5   ?    ?   230.067  13.8819      107.322    13.8819      25.3115     -166.118     
1 1 1 3  15 35 o 0 19.5   5.8   ?    ?   238.365  14.8244      68.1616    14.8244      63.5118     -165.176     
1 1 1 3  15 36 o 0 48.1   6.7   ?    ?   380.125  6.89006      134.413    6.89006      65.4466     -173.11      
1 1 1 3  15 37 o 0 26.3   7.4   ?    ?   240.162  -6.87233     103.959    -6.87233     18.1521     173.128      
1 1 1 3  15 38 f 1 4.3    7.6   ?    ?   150.149  151.847      17.2436    151.847      52.9986     -28.1531     
1 1 1 3  16 0  o 0 6.5    4.3   ?    ?   72.0334  -90          7.06788    -90          42.7011     90           
1 1 1 3  16 1  o 0 221.7  15.8  ?    ?   694.412  -7.4566      409.243    -7.4566      68.4597     172.543      
1 1 1 3  16 2  o 0 289    20.5  ?    ?   432.296  -119.676     696.036    -119.676     400.078     -119.676     
1 1 1 3  16 3  o 0 166.6  11.2  ?    ?   736.124  -29.2899     258.027    -29.2899     243.317     150.71       
1 1 1 3  16 4  f 1 5      2.1   ?    ?   236.242  121.388      113.633    -58.6115     273.224     -58.6115     
1 1 1 3  16 5  o 0 6.4    2     ?    ?   316.902  -147.557     137.76     32.4428      351.137     32.4428      
1 1 1 3  16 6  o 0 529.4  36.8  ?    ?   766.951  -67.763      836.807    -67.763      323.558     -67.763      
1 1 1 3  16 7  o 0 165.4  12.8  ?    ?   457.912  -70.9252     415.714    -70.9252     111.223     -70.9252     
1 1 1 3  16 8  o 0 75.3   6.2   ?    ?   367.936  126.058      210.991    126.058      32.0579     -53.942      
1 1 1 3  16 9  o 0 21.2   2.2   ?    ?   93.7691  13.4436      18.2977    13.4436      43.2211     -166.556     
1 1 1 3  16 10 o 0 1098   89.7  ?    ?   1496.69  109.97       921.729    109.97       63.6257     -70.0304     
1 1 1 3  16 11 o 0 1308.8 98.1  ?    ?   1296.99  148.139      1218.86    148.139      371.254     148.139      
1 1 1 3  16 12 o 0 219.8  17.1  ?    ?   730.255  -139.592     351.593    -139.592     122.003     40.4076      
1 1 1 3  16 13 o 0 12.2   3     ?    ?   198.802  176.648      37.6012    -3.35234     156.213     -3.35234     
1 1 1 3  16 14 o 0 238.2  20    ?    ?   573.537  -53.8032     437.659    -53.8032     98.3105     -53.8032     
1 1 1 3  16 15 o 0 1630.9 121.3 ?    ?   1592.43  -158.325     1130.53    -158.325     193.651     -158.325     
1 1 1 3  16 16 o 0 513.7  35.8  ?    ?   785.052  113.543      686.261    113.543      228.594     113.543      
1 1 1 3  16 17 o 0 63.3   5.2   ?    ?   323.292  61.516       158.614    61.516       28.0586     -118.484     
1 1 1 3  16 18 o 0 84.4   7     ?    ?   122.693  172.914      224.307    172.914      154.324     172.914      
1 1 1 3  16 19 o 0 336.8  28.2  ?    ?   749.964  8.20414      470        8.20414      46.7243     8.20414      
1 1 1 3  16 20 f 1 143.8  11    ?    ?   167.383  167.129      385.222    167.129      292.035     167.129      
1 1 1 3  16 21 o 0 20.9   3.9   ?    ?   302.321  18.3411      5.15186    -161.659     173.863     -161.659     
1 1 1 3  16 22 o 0 23.8   4.5   ?    ?   65.2429  45.7351      23.8155    45.7351      14.4243     -134.265     
1 1 1 3  16 23 o 0 141.3  13.7  ?    ?   474.215  88.8141      294.003    88.8141      16.7683     88.8141      
1 1 1 3  16 24 f 1 164.9  13.1  ?    ?   493.974  35.2369      328.76     35.2369      44.5598     35.2369      
1 1 1 3  16 25 o 0 14     4.2   ?    ?   127.455  -34.238      8.67312    -34.238      62.3602     145.762      
1 1 1 3  16 26 o 0 5.5    4.8   ?    ?   196.066  -137.539     47.1508    42.4613      149.077     42.4613      
1 1 1 3  16 27 o 0 189.5  16.4  ?    ?   550.214  -130.116     354.586    -130.116     72.9084     -130.116     
1 1 1 3  16 28 o 0 384.4  42.1  ?    ?   759.704  80.8504      520.122    80.8504      150.852     80.8504      
1 1 1 3  16 29 o 0 228.1  21    ?    ?   645.921  39.4081      374.621    39.4081      70.1279     39.4081      
1 1 1 3  16 30 f 1 69.2   7.8   ?    ?   423.65   -125.989     160.993    -125.989     34.7834     54.011       
1 1 1 3  16 31 o 0 1.4    5.3   ?    ?   154.299  179.543      43.16      -0.456573    134.319     -0.456573    
1 1 1 3  16 32 o 0 25.9   5.8   ?    ?   259.4    -162.469     92.3412    -162.469     61.1005     17.5308      
1 1 1 3  16 33 f 1 188.7  16.5  ?    ?   447.529  -64.3846     449.256    -64.3846     189.708     -64.3846     
1 1 1 3  16 34 o 0 7.9    5.5   ?    ?   89.6002  -71.7112     21.3162    -71.7112     28.6378     108.289      
1 1 1 3  16 35 o 0 35.2   5.9   ?    ?   255.965  -161.858     143.688    -161.858     7.76961     -161.858     
1 1 1 3  16 36 o 0 9.6    5.3   ?    ?   204.2    -148.795     17.8483    -148.795     87.0817     31.2053      
1 1 1 3  16 37 o 0 67     8.5   ?    ?   291.044  3.20505      241.809    3.20505      103.756     3.20505      
1 1 1 3  16 38 o 0 10.1   6.4   ?    ?   205.753  30.7547      37.8306    30.7547      48.8099     -149.245     
1 1 1 3  17 0  o 0 17.8   3.8   ?    ?   27.7038  -90          10.3548    -90          8.56759     90           
1 1 1 3  17 1  o 0 119.4  9     ?    ?   503.23   -14.0687     281.056    -14.0687     61.3264     165.931      
1 1 1 3  17 2  o 0 1203.2 90.1  ?    ?   1076.35  -42.9852     1340.4     -42.9852     611.307     -42.9852     
1 1 1 3  17 3  o 0 289.3  20.5  ?    ?   673.698  148.049      542.257    148.049      88.117      148.049      
1 1 1 3  17 4  o 0 38.2   3.7   ?    ?   519.137  -94.4093     19.4963    85.5907      367.612     85.5907      
1 1 1 3  17 5  o 0 325    24.6  ?    ?   712.851  -120.96      572.538    -120.96      97.1976     -120.96      
1 1 1 3  17 6  o 0 54.5   5     ?    ?   464.847  158.679      79.4694    158.679      231.94      -21.3209     
1 1 1 3  17 7  o 0 1128.5 84.3  ?    ?   1248.12  74.0105      1124.63    74.0105      293.693     74.0105      
1 1 1 3  17 8  o 0 125.3  9.3   ?    ?   489.566  177.115      289.825    177.115      33.9783     -2.88539     
1 1 1 3  17 9  o 0 131.1  9.8   ?    ?   618.576  -179.511     227.538    -179.511     178.809     0.48871      
1 1 1 3  17 10 f 1 421.9  29.4  ?    ?   1245.58  142.326      335.129    142.326      416.323     -37.6743     
1 1 1 3  17 11 o 0 2173.1 162.1 ?    ?   1784.09  82.8386      1365.06    82.8386      293.947     82.8386      
1 1 1 3  17 12 o 0 332.4  25.5  ?    ?   933.597  -4.11798     386.868    -4.11798     169.3       175.882      
1 1 1 3  17 13 o 0 143.7  11.9  ?    ?   602.245  -138.983     240.602    -138.983     116.36      41.0172      
1 1 1 3  17 14 f 1 478.6  36.5  ?    ?   910.91   40.7655      581.082    40.7655      47.1093     40.7655      
1 1 1 3  17 15 o 0 1111.8 91.2  ?    ?   1018.25  170.824      1090.21    170.824      497.07      170.824      
1 1 1 3  17 16 o 0 90.7   7.6   ?    ?   309.791  171.561      247.758    171.561      69.3615     171.561      
1 1 1 3  17 17 o 0 33.5   3.6   ?    ?   387.023  -22.3238     22.4744    -22.3238     198.231     157.676      
1 1 1 3  17 18 o 0 20.3   3     ?    ?   416.147  -155.371     56.4151    24.6286      291.31      24.6286      
1 1 1 3  17 19 o 0 164.3  13.4  ?    ?   713.479  156.581      209.661    156.581      193.354     -23.419      
1 1 1 3  17 20 o 0 165    11.7  ?    ?   447.945  -116.92      343.841    -116.92      93.6505     -116.92      
1 1 1 3  17 21 o 0 140.6  11.2  ?    ?   421.106  9.85083      323.411    9.85083      76.2824     9.85083      
1 1 1 3  17 22 o 0 46.7   5.9   ?    ?   389.842  37.2473      79.7527    37.2473      148.546     -142.753     
1 1 1 3  17 23 o 0 286    22.9  ?    ?   636.756  -170.9       454.858    -170.9       86.7648     -170.9       
1 1 1 3  17 24 f 1 34.9   5.3   ?    ?   277.445  -66.243      87.8653    -66.243      66.7761     113.757      
1 1 1 3  17 25 o 0 187.8  14.7  ?    ?   573.648  -29.8036     348.131    -29.8036     48.962      -29.8036     
1 1 1 3  17 26 o 0 39.1   7.1   ?    ?   206.407  -136.493     133.101    -136.493     27.0375     -136.493     
1 1 1 3  17 27 o 0 96.4   11.2  ?    ?   560.722  -66.1982     170.912    -66.1982     102.811     113.802      
1 1 1 3  17 28 o 0 20.2   6.1   ?    ?   248.384  -9.01137     50.0469    -9.01137     67.6153     170.989      
1 1 1 3  17 29 o 0 50.8   6.6   ?    ?   280.342  163.012      162.533    163.012      31.9354     163.012      
1 1 1 3  17 30 o 0 5.7    4.7   ?    ?   132.698  -22.7774     17.9529    157.223      96.8276     157.223      
1 1 1 3  17 31 o 0 9.3    5.1   ?    ?   55.2057  48.2247      15.7889    48.2247      17.086      -131.775     
1 1 1 3  17 32 o 0 14.3   5.5   ?    ?   175.741  11.185       50.723     11.185       52.2138     -168.815     
1 1 1 3  17 33 o 0 60.8   8.4   ?    ?   493.125  31.7797      117.138    31.7797      159.991     -148.22      
1 1 1 3  17 34 o 0 20.9   6.8   ?    ?   179.682  161          97.0945    161          0.856105    161          
1 1 1 3  17 35 o 0 13.2   5.5   ?    ?   170.845  100.159      55.9929    100.159      32.617      -79.8412     
1 1 1 3  17 36 o 0 1      5.2   ?    ?   151.981  -132.297     9.95725    47.703       82.7691     47.703       
1 1 1 3  17 37 f 1 69.6   7.9   ?    ?   414.525  -162.678     213.078    -162.678     37.1126     -162.678     
1 1 1 3  18 0  o 0 2.3    3.6   ?    ?   156.724  -90          6.22419    -90          100.629     90           
1 1 1 3  18 1  o 0 87.5   6.6   ?    ?   252.033  140.7        298.04     140.7        126.807     140.7        
1 1 1 3  18 2  o 0 450.5  34.3  ?    ?   741.392  -31.1514     742.286    -31.1514     240.605     -31.1514     
1 1 1 3  18 3  o 0 346.5  29.1  ?    ?   965.053  146.17       439.409    146.17       210.671     -33.8301     
1 1 1 3  18 4  o 0 22.1   3.4   ?    ?   227.232  118.059      14.6975    118.059      137.612     -61.9412     
1 1 1 3  18 5  o 0 125.2  9.5   ?    ?   783.849  59.573       112.865    59.573       409.722     -120.427     
1 1 1 3  18 6  o 0 1385.6 103.6 ?    ?   1202.76  97.7325      1357.06    97.7325      559.787     97.7325      
1 1 1 3  18 7  o 0 674.2  47.1  ?    ?   1415.01  -98.1122     526.542    -98.1122     337.983     81.8878      
1 1 1 3  18 8  f 1 34.4   4     ?    ?   142.316  73.024       73.0987    73.024       13.0706     -106.976     
1 1 1 3  18 9  o 0 36     3.7   ?    ?   303.083  -20.1468     65.1773    -20.1468     117.562     159.853      
1 1 1 3  18 10 o 0 368    28.1  ?    ?   999.762  20.773       399.072    20.773       201.271     -159.227     
1 1 1 3  18 11 o 0 146.6  11.1  ?    ?   584.62   41.2882      257.948    41.2882      90.4938     -138.712     
1 1 1 3  18 12 f 1 13.2   2.3   ?    ?   229.389  10.0948      39.0487    -169.905     174.352     -169.905     
1 1 1 3  18 13 o 0 54.2   6.2   ?    ?   201.935  -79.1933     154.66     -79.1933     36.2193     -79.1933     
1 1 1 3  18 14 o 0 154.9  13.8  ?    ?   533.16   131.043      297.176    131.043      12.1903     -48.9574     
1 1 1 3  18 15 o 0 58.1   5.7   ?    ?   363.221  -67.0487     128.18     -67.0487     80.6863     112.951      
1 1 1 3  18 16 o 0 32.5   4.1   ?    ?   259.629  39.4575      61.0628    39.4575      86.8292     -140.542     
1 1 1 3  18 17 o 0 72.9   6.6   ?    ?   329.612  -94.6589     185.4      -94.6589     0.504319    85.3411      
1 1 1 3  18 18 o 0 55.8   5.4   ?    ?   165.723  21.1178      164.091    21.1178      70.5211     21.1178      
1 1 1 3  18 19 o 0 27.2   4.2   ?    ?   437.14   174.959      28.8892    -5.04136     288.462     -5.04136     
1 1 1 3  18 20 o 0 404.6  30.6  ?    ?   840.007  44.6703      515.379    44.6703      17.1557     44.6703      
1 1 1 3  18 21 o 0 18.5   3.5   ?    ?   281.451  19.78        7.09365    -160.22      172.042     -160.22      
1 1 1 3  18 22 o 0 33.4   4.8   ?    ?   192.776  89.9413      103.969    89.9413      5.35943     -90.0587     
1 1 1 3  18 23 o 0 49.7   6.6   ?    ?   224.392  4.54221      161.839    4.54221      36.2352     4.54221      
1 1 1 3  18 24 o 0 22.3   6.9   ?    ?   371.755  -154.776     2.40715    -154.776     191.892     25.2242      
1 1 1 3  18 25 o 0 30     5.5   ?    ?   148.41   128.253      97.9061    128.253      21.4396     128.253      
1 1 1 3  18 26 o 0 33     5.3   ?    ?   228.607  -138.144     111.646    -138.144     0.310889    41.8562      
1 1 1 3  18 27 o 0 79.4   9.1   ?    ?   321.293  83.6524      233.998    83.6524      81.2231     83.6524      
1 1 1 3  18 28 o 0 176.4  16.8  ?    ?   537.176  -159.709     337.55     -159.709     86.2193     -159.709     
1 1 1 3  18 29 o 0 112.9  10.8  ?    ?   442.645  -118.56      307.531    -118.56      43.1283     -118.56      
1 1 1 3  18 30 f 1 43     5.5   ?    ?   247.568  44.2239      182.245    44.2239      34.3839     44.2239      
1 1 1 3  18 31 o 0 28.3   5.2   ?    ?   260.308  -171.076     106.596    -171.076     46.8115     8.92432      
1 1 1 3  18 32 o 0 69.9   7.4   ?    ?   501.598  34.0287      145.422    34.0287      138.378     -145.971     
1 1 1 3  18 33 o 0 16.2   5.5   ?    ?   204.575  -165.498     62.6389    -165.498     47.7449     14.502       
1 1 1 3  18 34 o 0 15.2   6.3   ?    ?   217.729  -159.254     50.8713    -159.254     62.9658     20.7464      
1 1 1 3  18 35 f 1 18.7   6.3   ?    ?   81.6768  -80.249      109.249    -80.249      69.8791     -80.249      
1 1 1 3  18 36 o 0 8.6    5.8   ?    ?   162.661  44.7606      43.9701    44.7606      25.9068     -135.239     
1 1 1 3  19 0  o 0 1.8    4.3   ?    ?   182.723  -90          6.70884    -90          107.295     90           
1 1 1 3  19 1  o 0 15.1   3.4   ?    ?   151.15   134.193      12.223     -45.807      106.232     -45.807      
1 1 1 3  19 2  o 0 2814.3 194.3 ?    ?   1968.81  100.574      1638.09    100.574      418.097     100.574      
1 1 1 3  19 3  f 1 141    11.8  ?    ?   358.83   -15.5117     372.631    -15.5117     151.782     -15.5117     
1 1 1 3  19 4  o 0 28.3   4.2   ?    ?   113.338  162.502      43.4751    162.502      26.1326     -17.4982     
1 1 1 3  19 5  o 0 189.4  15    ?    ?   388.721  33.1097      457.55     33.1097      220.036     33.1097      
1 1 1 3  19 6  o 0 529.6  37.1  ?    ?   1027.54  -79.1736     594.215    -79.1736     32.0549     100.826      
1 1 1 3  19 7  o 0 198.1  14.7  ?    ?   704.682  -42.3916     300.67     -42.3916     126.271     137.608      
1 1 1 3  19 8  o 0 21.4   3.5   ?    ?   82.4025  -71.6751     14.6391    -71.6751     34.9697     108.325      
1 1 1 3  19 9  o 0 160.8  11.3  ?    ?   705.708  40.1416      222.591    40.1416      199.419     -139.858     
1 1 1 3  19 10 f 1 368.2  26    ?    ?   546.272  -28.0571     649.183    -28.0571     325.661     -28.0571     
1 1 1 3  19 11 o 0 1715.7 128.6 ?    ?   1624.41  -100.701     1159.07    -100.701     201.748     -100.701     
1 1 1 3  19 12 o 0 73.6   7.1   ?    ?   291.752  125.121      207.366    125.121      37.1426     125.121      
1 1 1 3  19 13 o 0 76.6   7.3   ?    ?   505.624  39.797       120.74     39.797       171.838     -140.203     
1 1 1 3  19 14 o 0 330.8  25.8  ?    ?   833.605  -133.332     424.374    -133.332     53.8164     46.6678      
1 1 1 3  19 15 o 0 373.9  34.8  ?    ?   845.596  23.9999      469.185    23.9999      11.4809     -156         
1 1 1 3  19 16 o 0 177.9  17.9  ?    ?   601.678  20.1226      295.679    20.1226      46.9851     -159.877     
1 1 1 3  19 17 o 0 5      4.8   ?    ?   168.525  170.621      63.2759    -9.37899     164.301     -9.37899     
1 1 1 3  19 18 o 0 182.9  13.7  ?    ?   552.923  7.68672      344.569    7.68672      13.1923     7.68672      
1 1 1 3  19 19 o 0 8.1    2.8   ?    ?   237.154  -116.362     67.6173    63.6383      208.189     63.6383      
1 1 1 3  19 20 o 0 201.5  15.1  ?    ?   596.26   -153.877     347.176    -153.877     2.19746     26.1229      
1 1 1 3  19 21 o 0 9.2    3.5   ?    ?   162.391  48.3583      26.8539    -131.642     118.971     -131.642     
1 1 1 3  19 22 o 0 18     5     ?    ?   320.313  167.356      13.9836    -12.644      193.4       -12.644      
1 1 1 3  19 23 o 0 329.4  26.2  ?    ?   789.313  47.0089      454.982    47.0089      41.9719     47.0089      
1 1 1 3  19 24 o 0 24.8   4.8   ?    ?   256.313  -20.5977     58.733     -20.5977     73.546      159.402      
1 1 1 3  19 25 o 0 34.6   5.4   ?    ?   325.38   -145.941     87.0023    -145.941     72.6905     34.059       
1 1 1 3  19 26 o 0 49.3   6     ?    ?   391.294  -5.84617     118.761    -5.84617     67.7978     174.154      
1 1 1 3  19 27 o 0 31.7   6.6   ?    ?   145.643  -48.3176     119.285    -48.3176     50.9222     -48.3176     
1 1 1 3  19 28 o 0 149.4  13.5  ?    ?   432.777  160.059      402.271    160.059      142.783     160.059      
1 1 1 3  19 29 o 0 40.9   5.8   ?    ?   227.45   68.5337      182.597    68.5337      45.806      68.5337      
1 1 1 3  19 30 o 0 5.5    4.4   ?    ?   171.066  167.572      19.0151    -12.4285     120.33      -12.4285     
1 1 1 3  19 31 o 0 17     4.7   ?    ?   57.0706  23.435       72.0217    23.435       39.5518     23.435       
1 1 1 3  19 32 o 0 77.1   7.7   ?    ?   358.731  140.076      246.589    140.076      51.8281     140.076      
1 1 1 3  19 33 o 0 48.3   6.7   ?    ?   338.62   175.689      160.901    175.689      17.3491     -4.3106      
1 1 1 3  19 34 o 0 0.8    5.5   ?    ?   53.1094  77.3534      4.45556    77.3534      21.4015     -102.647     
1 1 1 3  19 35 o 0 17.8   8     ?    ?   111.512  122.725      109.748    122.725      61.4556     122.725      
1 1 1 3  20 0  o 0 -0.1   4.9   ?    ?   205.334  -90          6.32909    -90          120.37      90           
1 1 1 3  20 1  o 0 24.7   4.3   ?    ?   233.151  -68.1203     26.8588    -68.1203     116.599     111.88       
1 1 1 3  20 2  o 0 103.9  8.6   ?    ?   346.353  -156.521     282.253    -156.521     69.8644     -156.521     
1 1 1 3  20 3  o 0 692.9  48.4  ?    ?   1061.14  -28.7772     752.384    -28.7772     104.236     -28.7772     
1 1 1 3  20 4  o 0 34.8   5.3   ?    ?   352.771  3.68492      41.5047    3.68492      173.014     -176.315     
1 1 1 3  20 5  o 0 195.3  15.7  ?    ?   743.932  -72.3614     272.395    -72.3614     177.765     107.639      
1 1 1 3  20 6  o 0 293.2  22.8  ?    ?   626.788  2.33043      503.508    2.33043      126.268     2.33043      
1 1 1 3  20 8  f 1 159.6  11.5  ?    ?   516.257  -79.2972     321.746    -79.2971     15.5408     -79.2971     
1 1 1 3  20 9  f 1 66.1   5.9   ?    ?   414.693  172.824      135.738    172.824      108.07      -7.17595     
1 1 1 3  20 10 o 0 904.1  58.9  ?    ?   1251.6   -120.526     805.098    -120.526     72.5457     -120.526     
1 1 1 3  20 11 f 1 309.6  22.7  ?    ?   576.343  -73.1443     540.489    -73.1443     206.532     -73.1443     
1 1 1 3  20 12 o 0 284.6  20.8  ?    ?   643.925  89.4213      462.952    89.4213      91.8113     89.4213      
1 1 1 3  20 13 o 0 17.5   3.1   ?    ?   198.685  52.2         2.49662    52.2         112.382     -127.8       
1 1 1 3  20 14 o 0 88.6   10.9  ?    ?   343.395  28.1515      227.327    28.1515      30.5073     28.1515      
1 1 1 3  20 15 f 1 457.8  43.4  ?    ?   602.849  28.5714      732.512    28.5714      369.442     28.5714      
1 1 1 3  20 16 o 0 376.1  42    ?    ?   747.264  -78.8543     537.117    -78.8543     90.2476     -78.8543     
1 1 1 3  20 17 o 0 30.3   4.3   ?    ?   218.02   128.519      75.0463    128.519      55.3495     -51.4808     
1 1 1 3  20 18 o 0 117.7  8.9   ?    ?   265.659  -140.942     342.23     -140.942     185.021     -140.942     
1 1 1 3  20 19 o 0 13.6   3.6   ?    ?   172.735  176.125      1.68391    176.125      97.3697     -3.87472     
1 1 1 3  20 20 o 0 77.7   8.1   ?    ?   356.964  -57.1449     203.285    -57.1449     0.959146    -57.1449     
1 1 1 3  20 21 o 0 82.9   7.7   ?    ?   225.22   163.034      278.435    163.034      159.064     163.034      
1 1 1 3  20 22 o 0 10.6   3.3   ?    ?   109.922  -104.714     1.0944     -104.714     56.4285     75.2859      
1 1 1 3  20 23 o 0 140    12.1  ?    ?   554.209  49.994       275.167    49.994       0.935077    -130.006     
1 1 1 3  20 24 o 0 15.4   5.2   ?    ?   274.857  -117.683     5.12937    -117.683     129.912     62.3175      
1 1 1 3  20 25 o 0 129.2  16.3  ?    ?   585.72   -123.384     232.707    -123.384     46.993      56.6157      
1 1 1 3  20 26 o 0 37     6     ?    ?   293.513  29.7939      109.249    29.7939      35.1873     -150.206     
1 1 1 3  20 27 o 0 17.4   4.8   ?    ?   164.162  -160.837     69.8207    -160.837     28.8707     19.1634      
1 1 1 3  20 28 o 0 91.4   8.6   ?    ?   364.585  -26.5656     288.4      -26.5656     68.428      -26.5656     
1 1 1 3  20 29 o 0 66     7.6   ?    ?   231.831  47.1291      274.004    47.1291      136.18      47.1291      
1 1 1 3  20 30 o 0 0.3    5.9   ?    ?   112.948  -154.343     16.3227    25.6568      80.8653     25.6568      
1 1 1 3  20 31 o 0 15     4.9   ?    ?   267.259  -15.731      29.5787    -15.731      116.242     164.269      
1 1 1 3  20 32 o 0 51.5   6     ?    ?   259.395  32.6282      212.564    32.6282      75.2552     32.6282      
1 1 1 3  20 34 o 0 3.2    5.7   ?    ?   119.498  -73.2383     24.1048    -73.2383     27.9997     106.762      
1 1 1 3  21 0  o 0 13.5   6.3   ?    ?   147.963  90           29.2596    90           60.4853     -90          
1 1 1 3  21 1  o 0 505.4  35.7  ?    ?   880.816  154.273      649.12     154.273      116.22      154.273      
1 1 1 3  21 2  o 0 247.7  18.2  ?    ?   571.062  -42.1082     464.465    -42.1082     120.043     -42.1082     
1 1 1 3  21 3  o 0 425.8  30.2  ?    ?   807.824  -11.23       589.119    -11.23       103.689     -11.23       
1 1 1 3  21 4  o 0 7      5.1   ?    ?   307.274  -112.189     111.304    67.8107      295.173     67.8107      
1 1 1 3  21 5  o 0 58.6   7.5   ?    ?   377.108  23.905       128.117    23.905       96.4778     -156.095     
1 1 1 3  21 6  o 0 1248.5 94    ?    ?   1488.33  -151.049     939.995    -151.049     58.1881     -151.049     
1 1 1 3  21 7  o 0 862.9  56.4  ?    ?   1322.73  -176.587     734.136    -176.587     45.1326     3.41288      
1 1 1 3  21 8  o 0 125.7  9.8   ?    ?   777.328  46.9687      104.202    46.9687      350.956     -133.031     
1 1 1 3  21 9  o 0 71.3   6.6   ?    ?   342.069  -103.938     181.39     -103.938     17.595      76.0621      
1 1 1 3  21 10 o 0 84.4   7.3   ?    ?   278.241  -178.663     246.073    -178.663     83.4937     -178.663     
1 1 1 3  21 11 o 0 257.7  17.9  ?    ?   724.217  87.4619      373.573    87.4619      46.4586     -92.5381     
1 1 1 3  21 12 o 0 36.8   6.3   ?    ?   261.47   -49.9277     85.0655    -49.9277     65.3911     130.072      
1 1 1 3  21 13 o 0 7.8    8.4   ?    ?   21.2617  89.1773      4.66068    -90.8227     17.5606     -90.8227     
1 1 1 3  21 14 o 0 78.1   8     ?    ?   432.983  62.2916      167.117    62.2916      95.9756     -117.708     
1 1 1 3  21 15 o 0 27.4   4.2   ?    ?   216.094  174.481      61.3429    174.481      68.7533     -5.51878     
1 1 1 3  21 16 o 0 62.7   8.9   ?    ?   207.529  -154.287     205.064    -154.287     81.3334     -154.287     
1 1 1 3  21 17 o 0 13.4   3.6   ?    ?   51.537   -112.968     5.2168     -112.968     24.586      67.0322      
1 1 1 3  21 18 o 0 9.2    3.4   ?    ?   35.5767  -59.3353     4.34062    120.665      24.6947     120.665      
1 1 1 3  21 19 o 0 162    13.8  ?    ?   461.522  -7.08033     347.373    -7.08033     86.2744     -7.08033     
1 1 1 3  21 20 o 0 86.8   8.1   ?    ?   538.07   42.4832      154.808    42.4832      129.972     -137.517     
1 1 1 3  21 21 o 0 14.2   3.7   ?    ?   174.256  -49.7768     16.4256    -49.7768     74.6746     130.223      
1 1 1 3  21 22 o 0 16.7   4.8   ?    ?   252.201  -17.7754     24.0891    -17.7754     101.492     162.225      
1 1 1 3  21 23 o 0 329.3  24.1  ?    ?   868.133  -116.348     425.338    -116.348     4.73366     -116.348     
1 1 1 3  21 24 o 0 189.4  15.1  ?    ?   512.374  142.999      380.344    142.999      135.552     142.999      
1 1 1 3  21 25 o 0 55.8   7.1   ?    ?   355.961  95.6524      147.505    95.6524      27.8369     -84.3476     
1 1 1 3  21 26 f 1 24.1   6.7   ?    ?   232.649  132.611      97.0849    132.611      45.4452     -47.3891     
1 1 1 3  21 27 o 0 2.3    4.9   ?    ?   18.197   -67.1731     3.0437     112.827      14.0456     112.827      
1 1 1 3  21 28 o 0 237.2  18.1  ?    ?   654.055  -125.573     431.771    -125.573     41.91       -125.573     
1 1 1 3  21 29 o 0 59.1   7.4   ?    ?   403.321  -120.839     164.168    -120.839     67.0412     59.1609      
1 1 1 3  21 30 o 0 22     5.2   ?    ?   196.878  16.6762      107.259    16.6762      0.56691     -163.324     
1 1 1 3  21 31 o 0 8.9    6.6   ?    ?   140.062  -116.698     35.082     -116.698     39.3831     63.3022      
1 1 1 3  21 32 o 0 26.8   6.1   ?    ?   183.11   -45.6875     144.863    -45.6875     54.7133     -45.6875     
1 1 1 3  21 33 o 0 83.2   9.2   ?    ?   375.455  -64.6915     273.145    -64.6915     108.52      -64.6915     
1 1 1 3  22 0  o 0 30.2   7.7   ?    ?   245.994  90           105.39     90           41.4671     -90          
1 1 1 3  22 1  o 0 269.8  21.5  ?    ?   518.201  -42.7012     522.464    -42.7012     213.797     -42.7012     
1 1 1 3  22 2  o 0 347.1  25.1  ?    ?   788.101  -23.7117     488.79     -23.7117     20.6963     -23.7117     
1 1 1 3  22 3  o 0 776.9  51    ?    ?   930.827  150.546      886.126    150.546      335.155     150.546      
1 1 1 3  22 4  o 0 15.5   4.7   ?    ?   262.45   154.789      31.2788    -25.2111     186.009     -25.2111     
1 1 1 3  22 5  o 0 118.9  12.2  ?    ?   437.65   103.849      269.033    103.849      9.21333     103.849      
1 1 1 3  22 6  o 0 600.6  46.2  ?    ?   970.004  -5.85288     672.446    -5.85288     99.4718     -5.85288     
1 1 1 3  22 7  o 0 1167.8 81.4  ?    ?   1387.6   -74.3264     914.491    -74.3264     99.3595     -74.3264     
1 1 1 3  22 8  o 0 228.2  16.2  ?    ?   586.379  115.801      402.84     115.801      60.4373     115.801      
1 1 1 3  22 9  o 0 21.7   4.4   ?    ?   37.5959  -129.469     11.8863    -129.469     11.304      50.5314      
1 1 1 3  22 10 o 0 267.5  22.4  ?    ?   593.927  72.9119      483.47     72.9119      119.65      72.9119      
1 1 1 3  22 11 o 0 88.6   8.8   ?    ?   343.945  -162.514     244.441    -162.514     33.1453     -162.514     
1 1 1 3  22 12 o 0 207.9  17.4  ?    ?   540.335  -104.348     403.848    -104.348     74.5037     -104.348     
1 1 1 3  22 13 o 0 30.9   4.5   ?    ?   86.3055  -164.762     62.1797    -164.762     10.0112     -164.762     
1 1 1 3  22 14 o 0 95.3   9.7   ?    ?   300.719  -110.768     275.355    -110.768     95.1746     -110.768     
1 1 1 3  22 15 o 0 14.4   4.2   ?    ?   231.432  25.927       6.59804    -154.073     141.219     -154.073     
1 1 1 3  22 16 o 0 84.7   9.5   ?    ?   380.48   135.998      214.978    135.998      4.18991     -44.0018     
1 1 1 3  22 17 o 0 17.9   5.4   ?    ?   205.749  -85.8518     21.3975    -85.8518     95.9098     94.1482      
1 1 1 3  22 18 o 0 56.5   7.8   ?    ?   301.588  -176.055     173.793    -176.055     12.7724     -176.055     
1 1 1 3  22 19 o 0 122.5  11.1  ?    ?   529.585  -111.699     243.795    -111.699     35.7795     68.3012      
1 1 1 3  22 20 o 0 170.2  14.4  ?    ?   392.459  81.1819      410.04     81.1819      212.505     81.1819      
1 1 1 3  22 21 o 0 13.6   3.9   ?    ?   268.251  6.63628      0.578833   -173.364     133.936     -173.364     
1 1 1 3  22 22 o 0 1.5    3.8   ?    ?   84.9254  -139.06      24.6118    40.9404      65.7109     40.9404      
1 1 1 3  22 23 o 0 -4     3.5   ?    ?   109.565  34.6574      43.4769    -145.343     98.2048     -145.343     
1 1 1 3  22 24 o 0 218.7  18    ?    ?   387.879  -99.2498     579.068    -99.2498     341.984     -99.2498     
1 1 1 3  22 25 o 0 52.6   6.9   ?    ?   213.751  35.7528      240.809    35.7528      109.469     35.7528      
1 1 1 3  22 26 o 0 6.7    4.4   ?    ?   52.1766  179.977      6.56189    179.977      25.0825     -0.0228385   
1 1 1 3  22 27 f 1 -9.8   5.8   ?    ?   149.716  84.0816      59.3041    -95.9184     148.446     -95.9184     
1 1 1 3  22 28 f 1 183    19.8  ?    ?   613.565  118.552      349.563    118.552      1.97727     -61.4476     
1 1 1 3  22 29 o 0 56.2   8.5   ?    ?   295.077  -120.64      209.968    -120.64      47.9412     -120.64      
1 1 1 3  22 30 o 0 4.3    5.1   ?    ?   148.04   -124.819     0.798178   55.1811      79.7543     55.1811      
1 1 1 3  22 31 o 0 7.7    4.8   ?    ?   103.962  -54.6067     37.9786    -54.6067     13.3971     125.393      
1 1 1 3  22 32 o 0 117.5  12.4  ?    ?   381.124  -145.925     351.572    -145.925     183.733     -145.925     
1 1 1 3  23 0  o 0 6.7    7.5   ?    ?   41.2236  -90          4.06689    -90          20.415      90           
1 1 1 3  23 1  o 0 166.1  14.7  ?    ?   369.402  42.4015      404.594    42.4015      185.652     42.4015      
1 1 1 3  23 2  o 0 381    27.9  ?    ?   767.336  109.864      533.814    109.864      80.2076     109.864      
1 1 1 3  23 3  o 0 717.2  50.6  ?    ?   1157.06  -98.2771     721.096    -98.2771     3.79467     81.7229      
1 1 1 3  23 4  f 1 32.8   6.7   ?    ?   147.264  6.68525      82.5043    6.68525      9.1714      -173.315     
1 1 1 3  23 5  o 0 329.9  22.8  ?    ?   717.279  -89.5686     517.914    -89.5686     72.1714     -89.5686     
1 1 1 3  23 6  o 0 28.3   6.9   ?    ?   153.265  -17.0904     61.8929    -17.0904     32.8894     162.91       
1 1 1 3  23 7  o 0 68.3   9.5   ?    ?   52.105   69.0261      126.431    69.0261      94.0495     69.0261      
1 1 1 3  23 8  o 0 36.2   8     ?    ?   346.98   -105.287     59.4037    -105.287     154.966     74.7132      
1 1 1 3  23 9  o 0 122.8  10.2  ?    ?   369.019  -127.363     321.466    -127.363     94.9286     -127.363     
1 1 1 3  23 10 o 0 10.3   5.7   ?    ?   319.763  77.3441      85.2678    -102.656     280.225     -102.656     
1 1 1 3  23 11 o 0 157.2  12.9  ?    ?   391.767  42.3752      381.8      42.3752      144.691     42.3752      
1 1 1 3  23 12 o 0 371    30.1  ?    ?   842.935  149.9        485.822    149.9        10.1828     -30.0997     
1 1 1 3  23 13 o 0 35.3   6.1   ?    ?   44.3357  -153.08      52.85      -153.08      26.9778     -153.08      
1 1 1 3  23 14 o 0 76.4   9     ?    ?   352.711  -169.655     205.216    -169.655     1.19413     -169.655     
1 1 1 3  23 15 o 0 257.3  23.7  ?    ?   777.468  -57.5389     371.15     -57.5389     50.6063     122.461      
1 1 1 3  23 16 o 0 47.8   7.3   ?    ?   317.223  -12.8025     138.055    -12.8025     32.3526     167.198      
1 1 1 3  23 17 o 0 32     6.7   ?    ?   161.234  100.992      110.345    100.992      24.6212     100.992      
1 1 1 3  23 18 o 0 24.3   6.7   ?    ?   167.3    167.301      82.1504    167.301      2.74096     -12.6987     
1 1 1 3  23 19 o 0 253.6  24.1  ?    ?   555.622  147.697      466.719    147.697      187.968     147.697      
1 1 1 3  23 20 f 1 53.1   6.3   ?    ?   121.553  -133.636     203.42     -133.636     144.147     -133.636     
1 1 1 3  23 21 o 0 21.4   4.1   ?    ?   153.168  -135.561     75.4166    -135.561     1.46089     -135.561     
1 1 1 3  23 22 o 0 9.7    4.1   ?    ?   152.473  7.8591       8.59597    7.8591       85.7523     -172.141     
1 1 1 3  23 23 o 0 188.3  15.7  ?    ?   503.986  72.9857      450.038    72.9857      136.189     72.9857      
1 1 1 3  23 24 o 0 48.5   5.8   ?    ?   396.729  -50.8926     129.736    -50.8926     113.85      129.107      
1 1 1 3  23 25 o 0 18.4   6.2   ?    ?   163.151  -19.7308     85.1348    -19.7308     13.79       160.269      
1 1 1 3  23 26 o 0 2.6    4.2   ?    ?   87.8964  -91.45       11.9944    88.5499      63.3381     88.5499      
1 1 1 3  23 27 f 1 157.5  15.6  ?    ?   480.432  43.9389      376.12     43.9389      100.626     43.9389      
1 1 1 3  23 29 o 0 8.2    4.6   ?    ?   112.35   106.019      32.771     106.019      27.2685     -73.9806     
1 1 1 3  23 30 o 0 14.8   5.5   ?    ?   150.158  -150.972     82.1899    -150.972     7.79588     -150.972     
1 1 1 3  23 31 o 0 37.6   6.5   ?    ?   320.099  154.494      149.527    154.494      8.11959     154.494      
1 1 1 3  24 0  f 1 4.8    7.7   ?    ?   161.233  -90          14.9168    -90          85.893      90           
1 1 1 3  24 1  o 0 236.1  19.7  ?    ?   578.751  15.7756      443.423    15.7756      81.2705     15.7756      
1 1 1 3  24 2  o 0 398.1  31.5  ?    ?   746.28   -131.368     589.292    -131.368     123.425     -131.368     
1 1 1 3  24 3  o 0 25.5   7.4   ?    ?   368.59   83.6962      3.95492    -96.3038     233.359     -96.3038     
1 1 1 3  24 4  o 0 11.8   6.7   ?    ?   98.1575  149.814      9.88726    -30.1862     70.7603     -30.1862     
1 1 1 3  24 5  o 0 89.2   12.6  ?    ?   381.511  20.2401      227.705    20.2401      7.91208     -159.76      
1 1 1 3  24 6  o 0 793.8  60.8  ?    ?   1170.3   -173.515     753.551    -173.515     34.1732     -173.515     
1 1 1 3  24 7  o 0 80.6   9.8   ?    ?   503.571  133.483      137.011    133.483      170.915     -46.5167     
1 1 1 3  24 8  o 0 49.1   9.3   ?    ?   252.81   36.0766      160.318    36.0766      9.70883     36.0766      
1 1 1 3  24 9  o 0 31.4   9.2   ?    ?   249.268  -111.446     84.0471    -111.446     63.5239     68.5539      
1 1 1 3  24 10 o 0 12.9   4.9   ?    ?   229      -135.658     20.3403    44.3417      154.996     44.3417      
1 1 1 3  24 11 o 0 471.4  40.7  ?    ?   714.779  48.8761      674.507    48.8761      257.256     48.8761      
1 1 1 3  24 12 o 0 73.1   7.4   ?    ?   429.761  111.666      174.649    111.666      60.9812     -68.334      
1 1 1 3  24 13 o 0 2.6    3.2   ?    ?   73.9039  -176.054     26.6288    3.94597      66.8145     3.94597      
1 1 1 3  24 14 o 0 132.2  14    ?    ?   529.262  154.198      269.453    154.198      15.8157     -25.802      
1 1 1 3  24 15 o 0 109.2  10    ?    ?   478.802  64.8916      251.85     64.8916      5.1752      64.8916      
1 1 1 3  24 16 o 0 49.3   6.2   ?    ?   176.317  8.67546      190.489    8.67546      100.539     8.67546      
1 1 1 3  24 17 o 0 47.3   7.4   ?    ?   348.28   150.734      128.235    150.734      47.6155     -29.2657     
1 1 1 3  24 18 o 0 57.1   8     ?    ?   357.331  52.2742      161.976    52.2742      14.0197     -127.726     
1 1 1 3  24 19 o 0 136.5  13.7  ?    ?   514.128  -121.685     286.915    -121.685     36.562      -121.685     
1 1 1 3  24 20 o 0 24.9   6.4   ?    ?   310.468  -29.5905     63.8098    -29.5905     130.141     150.41       
1 1 1 3  24 21 o 0 18.2   4     ?    ?   197.914  53.0725      70.299     53.0725      51.8037     -126.928     
1 1 1 3  24 22 o 0 51.5   6.2   ?    ?   293.674  18.5241      200.373    18.5241      17.9431     18.5241      
1 1 1 3  24 23 o 0 27.4   5.1   ?    ?   174.453  70.6225      144.428    70.6226      37.2898     70.6226      
1 1 1 3  24 24 o 0 46.6   6.2   ?    ?   254.655  -135.544     196.295    -135.544     42.1072     -135.544     
1 1 1 3  24 25 o 0 72.9   7.7   ?    ?   384.636  -111.172     224.521    -111.172     0.0409951   -111.172     
1 1 1 3  24 26 o 0 5.1    3.9   ?    ?   125.022  -71.2429     1.09609    108.757      70.964      108.757      
1 1 1 3  24 27 o 0 8.9    4.8   ?    ?   242.467  -91.9632     2.6806     88.0368      134.523     88.0368      
1 1 1 3  24 28 o 0 20.2   8.7   ?    ?   304.282  -45.4025     34.3891    -45.4025     128.342     134.598      
1 1 1 3  24 29 o 0 48.5   10.9  ?    ?   289.176  25.7765      180.456    25.7765      36.9965     25.7765      
1 1 1 3  24 30 o 0 6      5.6   ?    ?   83.4107  53.2017      40.6727    53.2017      3.7546      53.2017      
1 1 1 3  25 0  o 0 44     10    ?    ?   119.626  -90          113.139    -90          40.9956     -90          
1 1 1 3  25 1  o 0 99.7   11    ?    ?   517.891  -173.843     193.342    -173.843     118.5       6.15701      
1 1 1 3  25 2  o 0 493.1  55.4  ?    ?   739.825  -143.828     695.639    -143.828     251.134     -143.828     
1 1 1 3  25 3  o 0 261.9  39.7  ?    ?   477.911  41.8108      528.001    41.8108      241.663     41.8108      
1 1 1 3  25 4  f 1 13.7   5.9   ?    ?   142.629  -146.553     2.52674    -146.553     82.4203     33.4469      
1 1 1 3  25 5  o 0 55.1   7.9   ?    ?   224.025  139.019      191.833    139.019      58.5956     139.019      
1 1 1 3  25 6  o 0 140.6  12.3  ?    ?   511.7    -0.819015    291.666    -0.819015    11.2847     179.181      
1 1 1 3  25 7  o 0 230.4  17.4  ?    ?   782.026  11.2547      311.94     11.2547      148.705     -168.745     
1 1 1 3  25 8  o 0 54.1   9.6   ?    ?   172.877  129.147      205.827    129.147      109.976     129.147      
1 1 1 3  25 9  o 0 59.9   10.5  ?    ?   309.757  63.4445      186.162    63.4445      15.4746     63.4445      
1 1 1 3  25 10 o 0 92.8   10.4  ?    ?   532.69   -104.398     178.016    -104.398     113.555     75.6025      
1 1 1 3  25 11 f 1 35.3   5.5   ?    ?   254.262  83.353       113.009    83.353       24.8075     -96.647      
1 1 1 3  25 12 o 0 174.4  14.1  ?    ?   618.783  -31.8055     324.521    -31.8055     2.60666     -31.8055     
1 1 1 3  25 13 o 0 16.2   3.5   ?    ?   129.116  -52.1699     39.7679    -52.1699     26.851      127.83       
1 1 1 3  25 14 o 0 12.4   3.6   ?    ?   266.148  -42.0731     8.28981    137.927      144.412     137.927      
1 1 1 3  25 15 o 0 197    15.9  ?    ?   740.074  88.2012      303.147    88.2012      66.6631     -91.7988     
1 1 1 3  25 16 o 0 14.9   3.7   ?    ?   147.697  79.7618      40.1167    79.7618      32.9651     -100.238     
1 1 1 3  25 17 o 0 31.2   4.7   ?    ?   171.946  -81.1094     130.068    -81.1094     41.976      -81.1094     
1 1 1 3  25 18 f 1 12.7   5.7   ?    ?   299.965  108.769      20.7678    -71.2311     208.936     -71.2311     
1 1 1 3  25 19 o 0 74.7   9.5   ?    ?   191.301  -40.6414     330.304    -40.6414     211.359     -40.6414     
1 1 1 3  25 20 o 0 11.9   6.1   ?    ?   215.45   -71.0989     15.7294    -71.0989     119.299     108.901      
1 1 1 3  25 21 o 0 16.8   7.2   ?    ?   67.8433  158.69       66.542     158.69       24.4604     158.69       
1 1 1 3  25 22 o 0 19.5   7.1   ?    ?   165.091  -79.3061     90.2236    -79.3061     10.8453     100.694      
1 1 1 3  25 23 o 0 108.4  11.3  ?    ?   460.199  -132.159     284.877    -132.159     13.011      -132.159     
1 1 1 3  25 24 o 0 138.3  11.4  ?    ?   503.221  148.931      330.863    148.931      37.7901     148.931      
1 1 1 3  25 25 o 0 24.9   5.9   ?    ?   243.126  65.4551      104.714    65.4551      30.9439     -114.545     
1 1 1 3  25 26 o 0 -0.5   4.1   ?    ?   60.3106  -80.6838     10.9522    99.3162      43.7132     99.3162      
1 1 1 3  25 27 o 0 11.7   4.2   ?    ?   183.572  43.9205      54.2884    43.9205      38.3209     -136.079     
1 1 1 3  25 28 o 0 132.5  13.5  ?    ?   473.991  -163.947     352.057    -163.947     138.467     -163.947     
1 1 1 3  26 0  o 0 5.8    20.6  ?    ?   90.6776  -90          20.2012    -90          30.58       90           
1 1 1 3  26 1  o 0 51     16.3  ?    ?   387.246  168.359      111.582    168.359      104.992     -11.6407     
1 1 1 3  26 2  o 0 26     8.2   ?    ?   229.452  31.493       75.9174    31.493       52.1531     -148.507     
1 1 1 3  26 3  o 0 2      5.9   ?    ?   96.0719  -133.08      28.3575    46.9201      81.8412     46.9201      
1 1 1 3  26 4  o 0 9.9    6     ?    ?   145.542  30.9896      9.50115    -149.01      90.2644     -149.01      
1 1 1 3  26 5  o 0 8.1    6     ?    ?   127.63   -172.563     15.602     7.4372       86.1562     7.4372       
1 1 1 3  26 6  o 0 36.7   7.1   ?    ?   326.696  12.1795      92.1616    12.1795      87.6457     -167.821     
1 1 1 3  26 7  o 0 60     7.8   ?    ?   252.413  103.895      217.175    103.895      83.8083     103.895      
1 1 1 3  26 8  o 0 20.5   8.2   ?    ?   356.366  -119.185     2.83551    -119.185     184.421     60.8149      
1 1 1 3  26 9  o 0 27.2   9.9   ?    ?   271.756  89.6649      69.5893    89.6649      72.3443     -90.3351     
1 1 1 3  26 10 o 0 68.1   8.8   ?    ?   336.475  -26.3987     206.293    -26.3987     31.7147     -26.3987     
1 1 1 3  26 11 o 0 249.4  23.1  ?    ?   525.765  -108.453     487.981    -108.453     217.132     -108.453     
1 1 1 3  26 12 o 0 28.8   6.6   ?    ?   267.476  7.86675      91.5717    7.86675      43.2679     -172.133     
1 1 1 3  26 13 o 0 21     4.6   ?    ?   181.193  48.9719      73.81      48.9719      16.786      -131.028     
1 1 1 3  26 14 o 0 215.5  15.9  ?    ?   693.232  -1.78259     353.844    -1.78259     10.2489     -1.78259     
1 1 1 3  26 15 o 0 48.9   6     ?    ?   391.724  -88.4198     115.113    -88.4198     86.1314     91.5802      
1 1 1 3  26 16 o 0 2.5    3.2   ?    ?   114.128  -138.893     39.5196    41.1067      111.572     41.1067      
1 1 1 3  26 17 o 0 7.4    3.3   ?    ?   176.321  11.0608      9.4528     -168.939     121.84      -168.939     
1 1 1 3  26 18 o 0 -1.7   5.4   ?    ?   174.92   -113.747     59.1875    66.2529      169.473     66.2529      
1 1 1 3  26 19 o 0 17.7   6.3   ?    ?   97.9754  -145.813     87.1592    -145.813     25.956      -145.813     
1 1 1 3  26 20 o 0 1      6.5   ?    ?   97.8834  -85.2539     12.4547    94.7461      72.8704     94.7461      
1 1 1 3  26 21 o 0 20.7   7.3   ?    ?   34.7311  42.0649      60.4266    42.0649      39.7178     42.0649      
1 1 1 3  26 22 o 0 16.4   8.3   ?    ?   182.737  -123.891     63.784     -123.891     43.7519     56.1087      
1 1 1 3  26 23 o 0 78.2   10    ?    ?   362.877  59.2799      253.412    59.2799      48.5914     59.2799      
1 1 1 3  26 25 o 0 18.3   6.1   ?    ?   152.983  -171.906     107.282    -171.906     29.0319     -171.906     
1 1 1 3  26 26 o 0 3.2    4.4   ?    ?   113.143  -81.6101     4.20464    -81.6101     52.7783     98.3899      
1 1 1 3  26 27 o 0 -7     4.6   ?    ?   31.9704  -152.372     3.93977    27.6278      18.3302     27.6278      
1 1 1 3  27 0  o 0 10.1   9.2   ?    ?   13.209   90           2.72233    90           4.27319     -90          
1 1 1 3  27 1  o 0 13.6   7.8   ?    ?   117.209  117.996      20.4375    117.996      41.5651     -62.0045     
1 1 1 3  27 2  f 1 2.7    7.8   ?    ?   413.862  70.4265      122.475    -109.573     340.45      -109.573     
1 1 1 3  27 3  o 0 39.3   7.5   ?    ?   290.059  -150.322     125.997    -150.322     26.7955     29.6781      
1 1 1 3  27 4  o 0 11.2   6.1   ?    ?   143.893  121.737      5.11773    121.737      70.4487     -58.2629     
1 1 1 3  27 5  o 0 13.1   6.1   ?    ?   172.338  169.685      13.1414    169.685      77.0333     -10.3154     
1 1 1 3  27 6  o 0 59     8.8   ?    ?   552      115.638      78.3638    115.638      209.243     -64.3625     
1 1 1 3  27 7  o 0 58.5   8.7   ?    ?   329.215  137.616      184.336    137.616      15.9999     137.616      
1 1 1 3  27 8  o 0 15.7   6.3   ?    ?   158.317  -42.8598     39.8946    -42.8598     40.6212     137.14       
1 1 1 3  27 9  o 0 2.7    10.5  ?    ?   149.804  -156.064     9.50051    23.9365      85.2344     23.9365      
1 1 1 3  27 10 o 0 49.7   10.3  ?    ?   420.087  -26.68       109.789    -26.68       101.208     153.32       
1 1 1 3  27 11 o 0 178    17.8  ?    ?   390.668  -65.7025     422.526    -65.7025     218.691     -65.7025     
1 1 1 3  27 12 o 0 79.4   9.7   ?    ?   373.073  168.989      268.003    168.989      28.2658     168.989      
1 1 1 3  27 13 o 0 4.5    3.5   ?    ?   122.429  69.9332      29.0752    -110.067     107.109     -110.067     
1 1 1 3  27 14 o 0 -0.1   2.8   ?    ?   233.992  80.0507      108.878    -99.9493     259.702     -99.9493     
1 1 1 3  27 15 o 0 444.3  32.7  ?    ?   768.618  -97.7671     711.255    -97.7671     220.393     -97.7671     
1 1 1 3  27 16 o 0 15.1   3.7   ?    ?   145.86   -134.383     71.5351    -134.383     20.7069     45.6172      
1 1 1 3  27 17 o 0 9.2    3.6   ?    ?   90.5246  40.479       26.6301    40.479       30.1525     -139.521     
1 1 1 3  27 18 f 1 19.8   6.2   ?    ?   276.535  -63.6359     51.3452    -63.6359     119.792     116.364      
1 1 1 3  27 19 f 1 78.2   10.7  ?    ?   371.977  112.047      250.784    112.047      28.1527     112.047      
1 1 1 3  27 20 o 0 32     8.6   ?    ?   192.494  118.168      157.718    118.168      43.5926     118.168      
1 1 1 3  27 21 o 0 27     7.6   ?    ?   243.164  -72.2906     114.508    -72.2906     23.924      107.709      
1 1 1 3  27 22 o 0 9.6    6.4   ?    ?   101.554  64.8119      45.7355    64.8119      10.6766     -115.188     
1 1 1 3  27 23 o 0 12.1   7.6   ?    ?   118.706  -83.4586     58.9528    -83.4586     6.08589     96.5414      
1 1 1 3  27 24 o 0 26.9   7.1   ?    ?   142.211  -96.0527     159.744    -96.0527     87.2576     -96.0527     
1 1 1 3  27 25 o 0 9.4    7     ?    ?   160.989  -48.343      52.429     -48.343      20.9944     131.657      
1 1 1 3  28 0  o 0 35.1   26.3  ?    ?   58.9063  -90          39.4116    -90          9.28042     -90          
1 1 1 3  28 1  o 0 93.8   11.6  ?    ?   562.819  -27.9007     178.187    -27.9007     109.423     152.099      
1 1 1 3  28 2  f 1 14.9   6.3   ?    ?   292.228  125.88       1.39288    125.88       147.315     -54.1202     
1 1 1 3  28 3  o 0 70.4   9     ?    ?   397.502  140.164      190.888    140.164      11.4552     -39.8358     
1 1 1 3  28 4  o 0 1      7.8   ?    ?   50.6363  94.4825      7.74091    -85.5175     33.4424     -85.5175     
1 1 1 3  28 5  o 0 5.1    7.2   ?    ?   60.1286  -143.641     1.05855    36.3589      32.8757     36.3589      
1 1 1 3  28 6  f 1 263.2  22.7  ?    ?   717.595  49.7507      404.294    49.7507      27.1039     49.7507      
1 1 1 3  28 7  o 0 3.1    6.2   ?    ?   112.868  56.5888      16.9425    -123.411     76.1436     -123.411     
1 1 1 3  28 8  o 0 28.3   6.8   ?    ?   169.703  -20.4877     145.024    -20.4876     35.1402     -20.4876     
1 1 1 3  28 9  o 0 3.3    6.8   ?    ?   43.0951  -18.5689     5.01169    161.431      32.7532     161.431      
1 1 1 3  28 10 o 0 39.5   10.6  ?    ?   279.881  -57.9586     156.333    -57.9586     26.2832     122.041      
1 1 1 3  28 11 o 0 172.6  23.4  ?    ?   562.857  153.339      381.28     153.339      16.5862     153.339      
1 1 1 3  28 12 o 0 22.9   5.9   ?    ?   220.976  -161.583     100.317    -161.583     41.7839     18.4169      
1 1 1 3  28 13 o 0 3.1    4.8   ?    ?   100.544  -167.803     14.5426    12.1974      78.8176     12.1974      
1 1 1 3  28 14 o 0 65.8   6.9   ?    ?   305.077  -171.594     253.334    -171.594     59.9892     -171.594     
1 1 1 3  28 15 o 0 143.7  12.9  ?    ?   482.358  23.7845      366.592    23.7845      63.7015     23.7845      
1 1 1 3  28 16 o 0 59.2   5.9   ?    ?   212.129  -132.798     278.697    -132.798     149.657     -132.798     
1 1 1 3  28 17 o 0 12.1   3.7   ?    ?   110.2    -141.133     62.2301    -141.133     4.11587     38.867       
1 1 1 3  28 18 o 0 3.3    3.2   ?    ?   65.3661  -44.4694     6.56253    135.531      44.4153     135.531      
1 1 1 3  28 19 o 0 23.6   7.3   ?    ?   232.156  172.518      97.304     172.518      35.602      -7.48152     
1 1 1 3  28 20 o 0 39.2   8.5   ?    ?   318.832  89.4277      138.06     89.4277      40.2409     -90.5723     
1 1 1 3  28 21 o 0 3.5    7     ?    ?   20.8964  -55.0829     5.52654    -55.0829     6.01289     124.917      
1 1 1 3  28 22 o 0 -5     6.4   ?    ?   84.5535  35.5217      7.07682    -144.478     50.5644     -144.478     
1 1 1 3  28 23 o 0 25.2   7.2   ?    ?   253.913  -3.93672     120.253    -3.93672     3.26681     -3.93672     
1 1 1 3  29 0  o 0 14.6   20.7  ?    ?   0.636423 -90          0.373827   -90          0.0481215   90           
1 1 1 3  29 1  o 0 52     11.4  ?    ?   289.468  -150.968     210.296    -150.968     18.5311     -150.968     
1 1 1 3  29 2  o 0 40.7   7.9   ?    ?   324.523  139.32       144.107    139.32       70.5697     -40.6805     
1 1 1 3  29 3  o 0 42.6   7.6   ?    ?   347.742  11.3872      139.658    11.3872      89.8963     -168.613     
1 1 1 3  29 4  o 0 5      6.1   ?    ?   159.524  -78.9043     15.9385    101.096      120.958     101.096      
1 1 1 3  29 5  o 0 29.1   7     ?    ?   175.643  9.07526      157.378    9.07526      42.1344     9.07526      
1 1 1 3  29 6  o 0 27.4   8.4   ?    ?   186.108  -100.011     140.382    -100.011     18.7548     -100.011     
1 1 1 3  29 7  o 0 102.3  15.8  ?    ?   417.021  -149.707     301.881    -149.707     30.5886     -149.707     
1 1 1 3  29 8  o 0 77.5   10.6  ?    ?   297.382  62.2011      299.002    62.2011      106.536     62.2011      
1 1 1 3  29 9  o 0 16     7.1   ?    ?   114.538  177.137      77.1847    177.137      3.31891     177.137      
1 1 1 3  29 11 o 0 80.3   10.6  ?    ?   425.987  23.115       228.979    23.115       42.129      -156.885     
1 1 1 3  29 12 o 0 28.9   8.7   ?    ?   202.152  -152.944     144.637    -152.944     19.7171     -152.944     
1 1 1 3  29 13 o 0 -3.2   4.5   ?    ?   49.6138  34.0844      16.4145    -145.916     46.8276     -145.916     
1 1 1 3  29 14 o 0 47.3   6.2   ?    ?   266.746  -78.4411     203.719    -78.4411     41.6068     -78.4411     
1 1 1 3  29 15 o 0 54.2   5.7   ?    ?   345.451  136.295      194.517    136.295      7.76709     -43.7048     
1 1 1 3  29 16 f 1 30.5   4.9   ?    ?   195.069  148.593      163.253    148.593      50.4273     148.593      
1 1 1 3  29 17 o 0 4.6    3.6   ?    ?   45.5659  -10.7333     5.70271    -10.7333     20.1528     169.267      
1 1 1 3  29 18 o 0 11.2   6.9   ?    ?   169.642  120.598      43.5257    120.598      51.6919     -59.4017     
1 1 1 3  29 19 o 0 1.7    6.5   ?    ?   85.4237  36.9868      13.4054    36.9868      31.3281     -143.013     
1 1 1 3  29 20 o 0 12.3   7.3   ?    ?   212.566  114.747      40.1189    114.747      69.8627     -65.2532     
1 1 1 3  29 21 o 0 6.1    6.3   ?    ?   98.2871  44.9775      45.5102    44.9775      0.0975123   -135.023     
1 1 1 3  30 0  o 0 -3.5   9     ?    ?   47.903   -90          6.84359    -90          24.2812     90           
1 1 1 3  30 1  f 1 -4.4   8.3   ?    ?   154.054  5.02056      34.0485    -174.979     133.824     -174.979     
1 1 1 3  30 2  o 0 53.6   11.4  ?    ?   365.29   -38.522      167.968    -38.522      68.9237     141.478      
1 1 1 3  30 3  o 0 4.2    6.3   ?    ?   53.8269  -153.309     2.12744    -153.309     32.7118     26.691       
1 1 1 3  30 4  o 0 11.1   5.9   ?    ?   49.2209  102.522      27.8998    102.522      3.87613     -77.478      
1 1 1 3  30 5  o 0 -0.9   6.1   ?    ?   34.8869  -27.4076     6.69356    152.592      29.1436     152.592      
1 1 1 3  30 6  o 0 109.2  12.9  ?    ?   361.302  84.6086      354.315    84.6086      122.703     84.6086      
1 1 1 3  30 7  o 0 86.3   10.4  ?    ?   316.258  67.7774      319.379    67.7774      121.928     67.7774      
1 1 1 3  30 8  o 0 35.8   7.2   ?    ?   254.977  169.763      159.354    169.763      0.964359    169.763      
1 1 1 3  30 9  o 0 3.5    7.3   ?    ?   90.4207  -80.0247     7.70457    -80.0247     48.1476     99.9753      
1 1 1 3  30 10 o 0 75.5   12.1  ?    ?   284.993  -165.706     291.106    -165.706     116.163     -165.706     
1 1 1 3  30 12 f 1 13     10.9  ?    ?   29.4621  -41.5946     29.896     -41.5946     12.6027     -41.5946     
1 1 1 3  30 13 o 0 5.1    6.7   ?    ?   123.178  27.7499      11.4662    27.7499      60.4451     -152.25      
1 1 1 3  30 14 o 0 4.4    3.5   ?    ?   35.1515  -116.83      3.89665    -116.83      16.2195     63.1701      
1 1 1 3  30 15 o 0 27.1   5.1   ?    ?   184.473  89.4528      151.774    89.4528      47.1657     89.4528      
1 1 1 3  30 16 f 1 8.1    3.7   ?    ?   94.4885  54.3748      45.0035    54.3748      4.94501     -125.625     
1 1 1 3  30 17 o 0 3.4    2.9   ?    ?   81.7946  114.289      1.98369    114.289      40.9221     -65.711      
1 1 1 3  30 18 o 0 1.1    3.5   ?    ?   44.5281  -152.125     4.10306    -152.125     16.8816     27.8749      
1 1 1 3  30 19 o 0 68.3   11    ?    ?   399.021  -57.7855     225.013    -57.7855     39.1094     -57.7855     
1 1 1 3  31 0  o 0 3.1    8.8   ?    ?   56.3396  -90          13.1528    -90          21.8374     90           
1 1 1 3  31 1  o 0 58.5   9.1   ?    ?   401.542  34.1966      172.769    34.1966      76.4956     -145.803     
1 1 1 3  31 2  o 0 42.8   10.6  ?    ?   240.32   -172.515     190.916    -172.515     41.9025     -172.515     
1 1 1 3  31 3  o 0 0.1    8.1   ?    ?   120.638  -138.93      5.87766    41.0701      80.5476     41.0701      
1 1 1 3  31 4  o 0 11.3   6.3   ?    ?   170.229  -28.3889     41.7522    -28.3889     60.4549     151.611      
1 1 1 3  31 5  o 0 6.6    6.1   ?    ?   112.923  176.235      19.5598    176.235      48.032      -3.76458     
1 1 1 3  31 6  o 0 14.9   6.4   ?    ?   306.545  -50.8526     6.05322    -50.8526     176.756     129.147      
1 1 1 3  31 7  f 1 14.7   6.5   ?    ?   78.5359  -170.733     72.3866    -170.733     25.8731     -170.733     
1 1 1 3  31 8  o 0 31.6   9.1   ?    ?   114.115  -80.6266     183.954    -80.6266     116.528     -80.6266     
1 1 1 3  31 9  o 0 13.4   6.6   ?    ?   134.928  -36.7578     72.4228    -36.7578     5.96312     143.242      
1 1 1 3  31 10 f 1 54.3   8.7   ?    ?   380.279  -121.862     174.231    -121.862     44.7731     58.1383      
1 1 1 3  31 11 f 1 167    16.8  ?    ?   473.389  93.2377      421.771    93.2377      150.975     93.2377      
1 1 1 3  31 12 o 0 7      8.9   ?    ?   49.3039  -127.669     27.2431    -127.669     0.826683    52.3313      
1 1 1 3  31 13 o 0 4.6    12.3  ?    ?   76.7511  -163.813     47.3719    -163.813     6.45951     -163.813     
1 1 1 3  31 14 o 0 5.6    4.4   ?    ?   70.6109  -21.9868     22.0181    -21.9868     15.3025     158.013      
1 1 1 3  31 15 o 0 15.1   3.6   ?    ?   103.127  -12.6938     123.346    -12.6938     74.2886     -12.6938     
1 1 1 3  31 16 o 0 9.4    3.3   ?    ?   168.425  43.3648      57.6697    43.3648      21.6776     -136.635     
1 1 1 3  32 0  o 0 8.5    19.9  ?    ?   95.6826  -90          47.0212    -90          8.75602     90           
1 1 1 3  32 1  o 0 5.7    6.5   ?    ?   176.528  139.882      5.89033    139.882      96.9829     -40.1179     
1 1 1 3  32 2  o 0 -5.2   8.3   ?    ?   94.328   -42.2462     4.13252    137.754      59.0489     137.754      
1 1 1 3  32 3  o 0 -8.3   19.4  ?    ?   123.09   -83.4808     40.7639    -83.4808     30.7795     96.5192      
1 1 1 3  32 4  o 0 -4.9   6.2   ?    ?   27.7681  -34.0188     4.14715    145.981      20.2497     145.981      
1 1 1 3  32 5  o 0 2      6.1   ?    ?   38.7352  3.44412      4.16664    3.44412      18.2298     -176.556     
1 1 1 3  32 6  o 0 10     6.4   ?    ?   209.024  -107.019     19.4397    -107.019     100.985     72.9809      
1 1 1 3  32 7  o 0 30.2   8.6   ?    ?   377.154  -150.622     77.6183    -150.622     126.586     29.3784      
1 1 1 3  32 8  o 0 7      6     ?    ?   95.7014  40.4862      38.0047    40.4862      13.5621     -139.514     
1 1 1 3  32 9  o 0 -3.5   6.5   ?    ?   15.7956  86.7594      0.254422   86.7594      8.21055     -93.2406     
1 1 1 3  32 10 o 0 25.1   7.5   ?    ?   230.37   44.6067      116.416    44.6067      6.29643     -135.393     
1 1 1 3  32 11 o 0 21.4   5.8   ?    ?   275.122  168.583      99.3559    168.583      32.8649     -11.4173     
1 1 1 3  32 12 o 0 -1.6   9.2   ?    ?   89.3923  -105.042     30.6178    -105.042     12.0327     74.9579      
1 1 1 3  33 0  o 0 -5.6   9.7   ?    ?   29.1445  -90          7.05189    -90          7.15438     90           
1 1 1 3  33 1  f 1 -10.8  8.6   ?    ?   97.301   -27.5135     6.99214    -27.5135     40.3067     152.487      
1 1 1 3  33 2  o 0 -6.2   6.6   ?    ?   158.983  117.416      12.7288    -62.5843     90.1461     -62.5843     
1 1 1 3  33 3  o 0 34.7   9.8   ?    ?   292.616  161.799      149.443    161.799      7.16704     161.799      
1 1 1 3  33 4  f 1 -2.5   8.7   ?    ?   114.05   -170.287     23.848     -170.287     31.3434     9.71289      
1 1 1 3  33 5  o 0 5.6    6.7   ?    ?   60.1998  -42.762      40.9764    -42.762      11.851      -42.762      
1 1 1 3  33 6  f 1 62.5   12.7  ?    ?   289.947  -157.031     253.39     -157.031     113.953     -157.031     
1 1 1 3  33 7  o 0 27.4   8.7   ?    ?   188.42   178.122      152.97     178.122      62.4948     178.122      
1 1 1 4  0  0  o 0 1371.3 176.9 ?    ?   552.806  6.20668e-14  1285.82    0            840.52      -3.28825e-14 
1 1 1 4  0  1  o 0 68.5   6.3   ?    ?   511.456  90           281.995    90           117.601     -90          
1 1 1 4  0  2  o 0 50.9   4.7   ?    ?   302.749  180          211.836    180          18.6695     7.9616e-14   
1 1 1 4  0  3  o 0 701.9  64.1  ?    ?   1076.94  90           866.966    90           62.2386     90           
1 1 1 4  0  4  o 0 307.5  28.2  ?    ?   27.0349  180          169.978    180          150.018     180          
1 1 1 4  0  5  o 0 70.6   6.6   ?    ?   464.111  90           270.181    90           73.5837     -90          
1 1 1 4  0  6  o 0 163.4  17.5  ?    ?   1061.62  180          413.783    180          369.641     3.16138e-15  
1 1 1 4  0  7  o 0 287.6  30.6  ?    ?   699.716  90           537.051    90           31.3846     90           
1 1 1 4  0  8  o 0 70.7   9.5   ?    ?   357.358  180          255.077    180          2.84818     -9.75824e-13 
1 1 1 4  0  9  o 0 654.7  85    ?    ?   951.784  -90          745.319    -90          107.265     -90          
1 1 1 4  0  10 o 0 -0.5   1.4   ?    ?   167.414  180          1.21347    180          110.836     7.68214e-17  
1 1 1 4  0  11 o 0 6.3    1.6   ?    ?   14.0194  -90          1.60476    -90          7.75748     90           
1 1 1 4  0  12 o 0 16.2   2.3   ?    ?   38.5413  180          12.4788    180          14.7435     5.93891e-15  
1 1 1 4  0  13 o 0 1325.8 121.3 ?    ?   1188.23  90           1113.64    90           277.574     90           
1 1 1 4  0  14 o 0 255.4  23.7  ?    ?   894.359  -2.82302e-15 490.873    0            135.479     180          
1 1 1 4  0  15 o 0 7.7    2.5   ?    ?   271.178  -90          34.9562    -90          153.906     90           
1 1 1 4  0  16 o 0 100.1  9.7   ?    ?   529.092  0            326.759    0            58.3578     180          
1 1 1 4  0  17 o 0 24.3   3.4   ?    ?   426.299  90           142.736    90           165.295     -90          
1 1 1 4  0  18 o 0 67.4   8.1   ?    ?   363.239  180          255.346    180          4.97992     3.59783e-13  
1 1 1 4  0  19 o 0 6.3    3.8   ?    ?   258.177  -90          24.1948    -90          159.17      90           
1 1 1 4  0  20 o 0 39.9   6.9   ?    ?   289.521  180          160.522    180          32.751      3.43909e-14  
1 1 1 4  0  21 o 0 254.4  27.6  ?    ?   882.832  -90          470.007    -90          113.06      90           
1 1 1 4  0  22 o 0 733.2  134.7 ?    ?   1140.36  180          767.811    180          23.2857     180          
1 1 1 4  0  23 o 0 23.8   4.8   ?    ?   63.8208  -90          29.4329    -90          12.1621     90           
1 1 1 4  0  24 o 0 141.1  14.1  ?    ?   607.064  180          313.629    180          48.4941     4.53796e-14  
1 1 1 4  0  25 o 0 14.8   4.9   ?    ?   140.283  -90          32.7152    -90          50.0627     90           
1 1 1 4  0  26 o 0 797.3  73.5  ?    ?   909.419  -1.14737e-15 721.945    0            193.134     3.14155e-15  
1 1 1 4  0  27 o 0 476.5  44.5  ?    ?   905.601  90           550.144    90           32.7424     90           
1 1 1 4  0  28 o 0 -3.3   11.1  ?    ?   88.0902  -180         4.91738    180          44.6028     2.09282e-15  
1 1 1 4  0  29 o 0 20.1   9.2   ?    ?   196.912  -90          53.5401    -90          56.5487     90           
1 1 1 4  0  30 o 0 43.8   11.1  ?    ?   457.27   0            161.334    0            105.706     180          
1 1 1 4  0  31 o 0 146.1  18.1  ?    ?   283.167  -90          300.255    -90          136.235     -90          
1 1 1 4  0  32 o 0 130.1  18.9  ?    ?   444.748  0            278.091    0            30.4531     0            
1 1 1 4  0  33 o 0 132    16    ?    ?   362.65   -90          275.454    -90          77.5069     -90          
1 1 1 4  0  34 o 0 43.8   10.4  ?    ?   221.843  3.85665e-17  139.927    0            27.6447     -1.56643e-16 
1 1 1 4  0  35 o 0 364.9  36.4  ?    ?   741.046  90           436.927    90           82.7119     90           
1 1 1 4  0  36 f 1 21     9.4   ?    ?   100.589  0            44.7896    0            1.47069     180          
1 1 1 4  0  37 o 0 56.7   10.6  ?    ?   311.944  90           202.381    90           19.845      90           
1 1 1 4  0  38 f 1 141.1  20.9  ?    ?   188.001  0            311.616    0            202.278     0            
1 1 1 4  0  39 f 1 133.1  20.2  ?    ?   544.196  -90          294.491    -90          15.1253     90           
1 1 1 4  0  40 o 0 73.8   14.9  ?    ?   374.077  0            211.38     0            7.76912     0            
1 1 1 4  0  41 o 0 18.2   11.2  ?    ?   131.062  -90          66.2643    -90          1.35268     90           
1 1 1 4  0  42 o 0 -9     11    ?    ?   137.94   0            20.2613    0            44.419      180          
1 1 1 4  0  43 o 0 -4.1   8.9   ?    ?   22.0963  90           4.42705    90           4.73293     -90          
1 1 1 4  1  0  o 0 46     4.3   ?    ?   677.284  180          232.631    180          298.45      -1.83148e-13 
1 1 1 4  1  3  o 0 633.1  40.9  ?    ?   1166.25  -109.911     741.121    -109.911     109.193     70.0889      
1 1 1 4  1  4  o 0 626.4  40.5  ?    ?   1148.64  -87.3344     745.076    -87.3344     92.4114     92.6656      
1 1 1 4  1  6  o 0 87.8   6.7   ?    ?   477.201  -7.60855     198.809    -7.60855     146.722     172.391      
1 1 1 4  1  7  o 0 37.4   3.3   ?    ?   157.419  42.8499      91.5005    42.8499      20.3123     -137.15      
1 1 1 4  1  8  o 0 687.4  56.3  ?    ?   1054.72  -28.1565     859.947    -28.1565     110.597     -28.1565     
1 1 1 4  1  9  o 0 847.7  69.4  ?    ?   824.598  104.311      1110.76    104.311      565.858     104.311      
1 1 1 4  1  10 o 0 378.9  28.5  ?    ?   815.919  157.064      564.254    157.064      25.2958     157.064      
1 1 1 4  1  12 o 0 553.6  38.4  ?    ?   1141.26  100.532      625.397    100.532      171.808     -79.4679     
1 1 1 4  1  13 o 0 642.6  44.6  ?    ?   1014.37  -146.089     818.062    -146.089     111.57      -146.089     
1 1 1 4  1  14 o 0 768.9  57.6  ?    ?   1188.45  -22.2582     835.312    -22.2582     10.8034     -22.2582     
1 1 1 4  1  16 o 0 162.5  11.5  ?    ?   725.578  -106.073     272.175    -106.073     251.709     73.9267      
1 1 1 4  1  17 o 0 209.2  14.8  ?    ?   513.911  59.3059      518.651    59.3059      150.09      59.3059      
1 1 1 4  1  18 f 1 442.7  33.3  ?    ?   635.375  -15.9839     855.113    -15.9839     404.082     -15.9839     
1 1 1 4  1  19 o 0 224.8  24.2  ?    ?   703.501  -101.845     420.044    -101.845     76.367      78.1545      
1 1 1 4  1  20 o 0 40.9   5.7   ?    ?   139.683  -76.2852     110.837    -76.2852     18.1535     -76.2852     
1 1 1 4  1  21 o 0 208.4  16.1  ?    ?   783.565  -99.8442     308.853    -99.8442     205.735     80.1558      
1 1 1 4  1  22 o 0 762    52.9  ?    ?   831.021  171.235      1038.08    171.235      498.381     171.235      
1 1 1 4  1  23 o 0 119.9  10    ?    ?   556.621  77.7404      231.929    77.7404      129.062     -102.26      
1 1 1 4  1  24 f 1 25.6   4.6   ?    ?   249.169  -51.9746     27.3414    -51.9746     120.227     128.025      
1 1 1 4  1  25 o 0 17.2   4.1   ?    ?   278.336  165.564      28.1836    -14.436      191.717     -14.436      
1 1 1 4  1  26 o 0 252.4  18.5  ?    ?   650.244  80.1447      409.328    80.1447      32.7432     80.1447      
1 1 1 4  1  27 o 0 18.4   4.6   ?    ?   86.5516  73.2995      7.67409    73.2995      41.59       -106.701     
1 1 1 4  1  28 o 0 56.2   7.9   ?    ?   183.554  -154.52      158.316    -154.52      55.4934     -154.52      
1 1 1 4  1  29 o 0 72.5   9.1   ?    ?   332.734  104.842      181.257    104.842      4.1573      -75.158      
1 1 1 4  1  30 o 0 487    41.1  ?    ?   1113.54  -106.788     455.825    -106.788     192.481     73.2118      
1 1 1 4  1  31 f 1 799.9  66.3  ?    ?   1190.66  -96.4488     701.208    -96.4488     15.2639     -96.4488     
1 1 1 4  1  32 o 0 244.4  18.8  ?    ?   555.637  -0.667618    435.803    -0.667618    127.241     -0.667618    
1 1 1 4  1  33 o 0 125.4  12    ?    ?   555.816  108.486      232.216    108.486      54.2562     -71.5143     
1 1 1 4  1  34 o 0 42.2   7.1   ?    ?   404.726  -41.3642     73.5482    -41.3642     130.83      138.636      
1 1 1 4  1  35 f 1 169.2  13.7  ?    ?   508.312  -132.072     337.75     -132.072     95.916      -132.072     
1 1 1 4  1  36 f 1 55.1   7.7   ?    ?   354.02   55.0349      146.934    55.0349      15.5615     -124.965     
1 1 1 4  1  37 o 0 21.4   6.7   ?    ?   177.047  -153.209     89.3102    -153.209     14.1046     26.791       
1 1 1 4  1  38 f 1 0.2    7.2   ?    ?   139.137  33.4464      22.8869    -146.554     103.674     -146.554     
1 1 1 4  1  39 o 0 23.6   8.5   ?    ?   193.689  95.7335      95.7256    95.7335      14.5908     -84.2665     
1 1 1 4  1  40 o 0 32.8   7.9   ?    ?   196.7    -146.422     149.058    -146.422     42.1394     -146.422     
1 1 1 4  1  41 o 0 54.9   8.6   ?    ?   334.491  -116.724     173.729    -116.724     1.37056     -116.724     
1 1 1 4  1  42 o 0 9      8     ?    ?   142.851  101.453      42.8695    101.453      24.0397     -78.5466     
1 1 1 4  1  43 f 1 65.6   8.6   ?    ?   273.988  -171.479     247.966    -171.479     134.788     -171.479     
1 1 1 4  2  0  o 0 469.1  43    ?    ?   1427.6   8.47357e-15  728.993    0            366.689     -180         
1 1 1 4  2  1  o 0 574.5  37    ?    ?   993.287  -6.39731     805.816    -6.39731     64.9089     -6.39731     
1 1 1 4  2  2  o 0 59.4   3.9   ?    ?   322.664  -79.4019     174.687    -79.4019     60.5672     100.598      
1 1 1 4  2  3  o 0 588.3  38    ?    ?   983.292  -53.4884     800.154    -53.4884     94.3883     -53.4884     
1 1 1 4  2  4  f 1 561    36.3  ?    ?   785.4    90.0857      902.33     90.0857      339.519     90.0857      
1 1 1 4  2  5  o 0 820.8  53    ?    ?   1456.17  -177.73      740.922    -177.73      300.669     2.27026      
1 1 1 4  2  7  o 0 60.4   5.2   ?    ?   507.584  -167.693     75.0922    -167.693     280.786     12.3071      
1 1 1 4  2  8  o 0 501.4  41.1  ?    ?   953.564  -171.512     685.222    -171.512     16.0968     -171.512     
1 1 1 4  2  9  o 0 2850.9 212   ?    ?   1927.23  -38.5715     1731.45    -38.5715     472.875     -38.5715     
1 1 1 4  2  10 o 0 66.5   4.8   ?    ?   497.146  7.88171      98.041     7.88171      226.692     -172.118     
1 1 1 4  2  11 o 0 84.7   6.6   ?    ?   364.202  -131.44      226.693    -131.44      11.0763     48.5605      
1 1 1 4  2  12 o 0 359.3  25    ?    ?   840.85   -88.7949     543.451    -88.7949     38.0569     91.2051      
1 1 1 4  2  13 o 0 229.3  16.1  ?    ?   832.255  126.866      317.058    126.866      257.136     -53.1341     
1 1 1 4  2  14 o 0 1103.9 76.3  ?    ?   1550.04  92.8961      908.339    92.8961      157.476     -87.1039     
1 1 1 4  2  16 o 0 81.1   6     ?    ?   535.675  10.0275      152.62     10.0275      231.086     -169.973     
1 1 1 4  2  17 o 0 19.3   2.8   ?    ?   186.443  -127.698     6.13437    -127.698     126.576     52.3022      
1 1 1 4  2  18 o 0 21.4   3.1   ?    ?   233.15   -79.3922     10.661     -79.3922     154.096     100.608      
1 1 1 4  2  19 o 0 91.1   8.1   ?    ?   297.391  48.7969      293.708    48.7969      96.7574     48.7969      
1 1 1 4  2  20 o 0 7.6    3     ?    ?   99.389   -54.157      35.5054    125.843      101.035     125.843      
1 1 1 4  2  21 o 0 403.4  28.2  ?    ?   707.976  -73.2188     682.765    -73.2188     220.605     -73.2188     
1 1 1 4  2  22 o 0 188.8  13.6  ?    ?   385.809  152.667      492.585    152.667      243.445     152.667      
1 1 1 4  2  23 o 0 226.8  16.4  ?    ?   627.61   55.3825      424.772    55.3825      19.9318     55.3825      
1 1 1 4  2  24 o 0 77.6   6.8   ?    ?   405.59   4.17231      173.818    4.17231      65.7821     -175.828     
1 1 1 4  2  25 o 0 332.6  23.7  ?    ?   770.663  76.7089      468.686    76.7089      18.077      76.7089      
1 1 1 4  2  26 o 0 247.1  21.3  ?    ?   642.583  24.2415      402.335    24.2415      31.8913     24.2415      
1 1 1 4  2  27 o 0 287.1  22.5  ?    ?   645.104  -113.528     457.867    -113.528     92.2764     -113.528     
1 1 1 4  2  28 o 0 29.6   5.6   ?    ?   167.18   143.64       55.571     143.64       37.694      -36.3596     
1 1 1 4  2  29 o 0 267.6  21.4  ?    ?   565.01   101.381      453.85     101.381      140.231     101.381      
1 1 1 4  2  30 o 0 181.1  16.1  ?    ?   468.131  -67.504      376.947    -67.504      105.409     -67.504      
1 1 1 4  2  31 o 0 495.1  38.6  ?    ?   788.779  -167.559     632.508    -167.559     178.516     -167.559     
1 1 1 4  2  32 o 0 72.5   9.2   ?    ?   216.418  131.326      234.978    131.326      115.194     131.326      
1 1 1 4  2  33 o 0 34.9   7.3   ?    ?   364.078  -144.231     63.8787    -144.231     123.18      35.7691      
1 1 1 4  2  34 o 0 12.5   7     ?    ?   480.846  135.64       105.097    -44.3598     347.191     -44.3598     
1 1 1 4  2  35 f 1 95.9   9.7   ?    ?   382.512  133.59       242.485    133.59       61.0135     133.59       
1 1 1 4  2  36 o 0 25.6   6.6   ?    ?   246.128  105.321      75.146     105.321      37.8168     -74.6794     
1 1 1 4  2  37 o 0 46.7   7.9   ?    ?   179.228  -141.954     213.448    -141.954     109.022     -141.954     
1 1 1 4  2  38 f 1 154.4  14.1  ?    ?   502.847  111.824      352.287    111.824      61.0095     111.824      
1 1 1 4  2  39 o 0 33.2   8.3   ?    ?   131.406  -109.307     166.948    -109.307     92.2719     -109.307     
1 1 1 4  2  40 o 0 28.6   8.3   ?    ?   128.499  146.057      146.394    146.057      76.6936     146.057      
1 1 1 4  2  41 o 0 11.3   7.2   ?    ?   166.159  89.2688      41.8417    89.2688      42.6415     -90.7312     
1 1 1 4  2  42 o 0 28     7.1   ?    ?   292.762  35.279       97.1681    35.279       39.7039     -144.721     
1 1 1 4  2  43 o 0 51.4   8.5   ?    ?   398.174  130.014      154.01     130.014      10.605      -49.9864     
1 1 1 4  3  0  o 0 1196.3 109.3 ?    ?   561.9    180          1143.04    180          717.683     -180         
1 1 1 4  3  1  o 0 107.2  7     ?    ?   329.939  103.756      349.101    103.756      105.547     103.756      
1 1 1 4  3  3  o 0 198    12.9  ?    ?   983.102  58.388       160.024    58.388       547.838     -121.612     
1 1 1 4  3  4  o 0 472.3  32.7  ?    ?   810.093  -88.8848     755.669    -88.8848     177.664     -88.8848     
1 1 1 4  3  5  o 0 823.1  61.4  ?    ?   1168.2   -72.8315     935.214    -72.8315     105.683     -72.8315     
1 1 1 4  3  6  o 0 79.3   6.7   ?    ?   430.886  109.817      188.349    109.817      111.313     -70.1833     
1 1 1 4  3  8  o 0 210.4  15.8  ?    ?   665.461  14.8781      389.863    14.8781      73.0722     -165.122     
1 1 1 4  3  9  o 0 1617.4 120.5 ?    ?   960.154  -133.941     1620.83    -133.941     999.32      -133.941     
1 1 1 4  3  10 o 0 201.6  15.3  ?    ?   769.192  165.868      282.803    165.868      215.197     -14.1318     
1 1 1 4  3  11 o 0 45.9   3.5   ?    ?   471.421  80.3645      31.359     80.3645      273.716     -99.6355     
1 1 1 4  3  12 o 0 367.4  25.6  ?    ?   793.814  -140.905     581.878    -140.905     37.6158     -140.905     
1 1 1 4  3  13 o 0 1130.2 78.2  ?    ?   1286.92  33.7751      1106.18    33.7751      225.747     33.7751      
1 1 1 4  3  14 f 1 49.5   3.9   ?    ?   417.048  138.344      78.6578    138.344      205.041     -41.6557     
1 1 1 4  3  16 f 1 588.4  54    ?    ?   1088.48  122.344      739.572    122.344      32.1954     -57.6555     
1 1 1 4  3  17 o 0 260    19.7  ?    ?   605.678  -87.5697     557.689    -87.5697     129.723     -87.5697     
1 1 1 4  3  18 o 0 238.9  18.2  ?    ?   616.656  -46.6049     505.597    -46.6049     72.9001     -46.6049     
1 1 1 4  3  19 o 0 87.4   7.3   ?    ?   343.387  75.1999      261.55     75.1999      35.6771     75.1999      
1 1 1 4  3  20 f 1 14.6   2.8   ?    ?   174.482  5.82119      17.9461    -174.179     131.945     -174.179     
1 1 1 4  3  21 o 0 71.5   5.9   ?    ?   358.918  96.9713      198.256    96.9713      34.5799     -83.0287     
1 1 1 4  3  22 o 0 418.7  31.7  ?    ?   900.751  26.0052      575.824    26.0052      2.36016     -153.995     
1 1 1 4  3  23 o 0 354.2  24.9  ?    ?   718.21   -127.023     581.95     -127.023     121.331     -127.023     
1 1 1 4  3  24 o 0 8      3.8   ?    ?   97.4789  143.32       30.3471    -36.6797     87.6145     -36.6797     
1 1 1 4  3  25 o 0 217.7  14.9  ?    ?   551.732  -166.947     405.228    -166.947     84.3363     -166.947     
1 1 1 4  3  26 o 0 732    47.8  ?    ?   1154.55  72.4653      691.522    72.4653      29.3164     72.4653      
1 1 1 4  3  27 o 0 96.3   8.6   ?    ?   453.079  61.7153      196.235    61.7153      59.2811     -118.285     
1 1 1 4  3  28 o 0 130.4  14.3  ?    ?   334.197  36.0876      323.216    36.0876      137.648     36.0876      
1 1 1 4  3  29 o 0 236.2  21    ?    ?   594.804  -39.7654     388.489    -39.7654     59.812      -39.7654     
1 1 1 4  3  30 o 0 386.3  30.6  ?    ?   900.061  137.217      453.379    137.217      66.4522     -42.7832     
1 1 1 4  3  31 o 0 266.6  24    ?    ?   625.81   123.531      427.588    123.531      68.8819     123.531      
1 1 1 4  3  32 o 0 77.7   9.4   ?    ?   326.405  173.817      210.622    173.817      30.6773     173.817      
1 1 1 4  3  33 o 0 74.4   8.7   ?    ?   352.779  -55.3189     199.57     -55.3189     19.0053     -55.3189     
1 1 1 4  3  34 o 0 9.9    7.6   ?    ?   43.1263  12.5009      0.29583    12.5009      21.3381     -167.499     
1 1 1 4  3  35 o 0 168.2  15.1  ?    ?   554.842  29.148       311.232    29.148       48.2475     29.148       
1 1 1 4  3  36 o 0 24.2   7.3   ?    ?   314.383  -61.7307     45.5602    -61.7307     98.2453     118.269      
1 1 1 4  3  37 o 0 -2.7   6.7   ?    ?   130.15   59.9987      38.2549    -120.001     113.842     -120.001     
1 1 1 4  3  38 o 0 40.7   7.7   ?    ?   253.805  -164.46      160.701    -164.46      13.7571     -164.46      
1 1 1 4  3  39 o 0 54.5   8.2   ?    ?   346.912  -0.000133484 164.975    -0.000133484 31.5884     180          
1 1 1 4  3  40 o 0 91.8   10.5  ?    ?   344.728  10.0776      276.575    10.0776      90.1154     10.0776      
1 1 1 4  3  41 o 0 35.9   7.8   ?    ?   266.94   30.554       136.5      30.554       1.14273     30.554       
1 1 1 4  3  42 o 0 2.3    6.9   ?    ?   135.56   61.915       9.5046     61.915       53.7082     -118.085     
1 1 1 4  3  43 o 0 75.2   9.1   ?    ?   364.473  50.0619      238.689    50.0619      88.3794     50.0619      
1 1 1 4  4  0  o 0 1050.1 96    ?    ?   689.199  -1.87234e-14 1074.32    0            551.361     1.77588e-14  
1 1 1 4  4  1  f 1 175.8  11.4  ?    ?   623.669  -133.284     364.62     -133.284     97.2735     46.7157      
1 1 1 4  4  3  o 0 121    8.4   ?    ?   638.768  -174.37      198.974    -174.37      260.463     5.63036      
1 1 1 4  4  4  o 0 1702.1 117.3 ?    ?   1743.2   -56.985      1282.11    -56.985      63.2269     -56.985      
1 1 1 4  4  5  o 0 962.9  66.4  ?    ?   1293.27  43.7572      973.241    43.7572      74.065      43.7572      
1 1 1 4  4  6  o 0 371.9  30.4  ?    ?   818.877  138.864      578.624    138.864      10.9857     138.864      
1 1 1 4  4  7  o 0 177    16.3  ?    ?   694.875  49.4617      295.462    49.4617      185.589     -130.538     
1 1 1 4  4  8  o 0 885.4  66    ?    ?   1428.5   147.452      742.35     147.452      176.919     -32.5485     
1 1 1 4  4  10 o 0 261.8  18.3  ?    ?   761.201  -22.8314     397.909    -22.8314     91.6867     157.169      
1 1 1 4  4  12 o 0 123.4  8.8   ?    ?   533.564  48.8725      258.554    48.8725      104.66      -131.128     
1 1 1 4  4  13 o 0 360    29.8  ?    ?   548.636  64.3324      715.137    64.3324      342.517     64.3324      
1 1 1 4  4  14 o 0 565.6  46.5  ?    ?   1005.06  -126.765     702.298    -126.765     21.8363     -126.765     
1 1 1 4  4  16 o 0 37.4   3.3   ?    ?   238.733  179.46       104.798    179.46       63.6908     -0.539644    
1 1 1 4  4  17 o 0 282.7  23.4  ?    ?   700.382  68.992       535.005    68.992       43.6106     68.992       
1 1 1 4  4  18 o 0 822.2  61.5  ?    ?   899.59   -171.84      1132.1     -171.84      505.237     -171.84      
1 1 1 4  4  19 o 0 313.6  26    ?    ?   873.405  -109.998     442.735    -109.998     130.545     70.002       
1 1 1 4  4  20 f 1 52.5   5.2   ?    ?   257.291  130.859      163.402    130.859      3.594       -49.1411     
1 1 1 4  4  21 o 0 308.6  23.6  ?    ?   1027.37  -79.8075     332.713    -79.8075     329.49      100.192      
1 1 1 4  4  22 o 0 58.2   5.4   ?    ?   406.296  71.6677      120.997    71.6677      140.933     -108.332     
1 1 1 4  4  23 o 0 169.2  12.5  ?    ?   416.169  128.617      421.08     128.617      155.788     128.617      
1 1 1 4  4  24 o 0 145.9  10.4  ?    ?   417.298  105.224      337.02     105.224      93.303      105.224      
1 1 1 4  4  25 o 0 373.6  26.5  ?    ?   651.837  -63.9089     583.401    -63.9089     206.447     -63.9089     
1 1 1 4  4  26 f 1 28.9   4.9   ?    ?   484.484  -65.2949     44.8836    114.705      320.52      114.705      
1 1 1 4  4  27 o 0 31.9   5.5   ?    ?   111.876  176.642      55.389     176.642      7.36612     -3.35845     
1 1 1 4  4  28 f 1 33.1   6.1   ?    ?   343.845  -38.7837     36.6072    -38.7837     152.839     141.216      
1 1 1 4  4  29 o 0 96.4   9.7   ?    ?   494.997  -78.982      169.6      -78.982      102.55      101.018      
1 1 1 4  4  30 o 0 32.3   7.4   ?    ?   395.335  -92.1301     16.9687    -92.1301     212.592     87.8699      
1 1 1 4  4  31 o 0 218.8  21.5  ?    ?   516.783  57.1321      407.136    57.1321      112.32      57.1321      
1 1 1 4  4  32 o 0 42.7   7.8   ?    ?   140.559  101.829      135.564    101.829      58.4291     101.829      
1 1 1 4  4  33 o 0 139.4  12.1  ?    ?   491.926  70.2919      288.485    70.2919      37.8139     70.2919      
1 1 1 4  4  34 o 0 23     6.6   ?    ?   123.457  -57.9122     68.4954    -57.9122     9.00185     -57.9122     
1 1 1 4  4  35 f 1 434    34.1  ?    ?   778.083  -33.5251     565.756    -33.5251     204.515     -33.5251     
1 1 1 4  4  36 o 0 34.4   8.1   ?    ?   237.096  -87.198      112.937    -87.198      4.91943     -87.198      
1 1 1 4  4  37 o 0 10.6   7     ?    ?   77.0818  39.503       16.9272    39.503       27.6657     -140.497     
1 1 1 4  4  38 o 0 7.8    7.1   ?    ?   115.671  -130.486     13.423     -130.486     53.2942     49.5142      
1 1 1 4  4  39 o 0 28.1   7.3   ?    ?   317.04   126.763      75.6653    126.763      99.4272     -53.2372     
1 1 1 4  4  40 f 1 4.8    7     ?    ?   245.125  -66.9677     27.4245    113.032      155.565     113.032      
1 1 1 4  4  41 o 0 30.3   8     ?    ?   72.2214  -96.9522     154.679    -96.9522     118.183     -96.9522     
1 1 1 4  4  42 o 0 10.8   7.6   ?    ?   149.761  -137.57      47.8133    -137.57      21.7907     42.4302      
1 1 1 4  4  43 o 0 -0.7   7.1   ?    ?   137.561  45.8024      11.9544    45.8024      44.5944     -134.198     
1 1 1 4  5  0  o 0 281.9  26    ?    ?   304.887  180          555.44     180          325.091     180          
1 1 1 4  5  1  o 0 718.9  49.6  ?    ?   1076.94  175.254      906.317    175.254      122.578     175.254      
1 1 1 4  5  3  o 0 313.1  21.7  ?    ?   949.987  172.672      404.438    172.672      267.286     -7.32807     
1 1 1 4  5  4  o 0 1401.5 114.3 ?    ?   1253.24  72.7884      1384.27    72.7884      506.457     72.7884      
1 1 1 4  5  5  o 0 79.9   6.7   ?    ?   201.33   -58.6414     270.091    -58.6414     129.986     -58.6414     
1 1 1 4  5  6  o 0 76.4   6.4   ?    ?   395.917  -138.214     196.16     -138.214     78.2048     41.7864      
1 1 1 4  5  7  o 0 183.5  12.8  ?    ?   411.449  -177.258     448.006    -177.258     183.534     -177.258     
1 1 1 4  5  9  o 0 2614.4 180.1 ?    ?   1979.52  18.7263      1555.94    18.7263      287.151     18.7263      
1 1 1 4  5  10 o 0 66.7   5.3   ?    ?   475.869  5.52836      114.654    5.52836      208.521     -174.472     
1 1 1 4  5  12 o 0 181.4  13.8  ?    ?   605.984  53.0194      353.646    53.0194      56.4568     -126.981     
1 1 1 4  5  13 o 0 889.3  61.6  ?    ?   871.412  171.692      1141.74    171.692      553.57      171.692      
1 1 1 4  5  14 o 0 31.3   2.9   ?    ?   319.696  -89.6315     46.2979    -89.6315     179.909     90.3685      
1 1 1 4  5  15 o 0 26.9   2.9   ?    ?   172.538  109.247      51.584     109.247      69.9846     -70.7529     
1 1 1 4  5  16 o 0 10     2.1   ?    ?   362.607  -56.9879     130.755    123.012      384.953     123.012      
1 1 1 4  5  17 o 0 103.5  9     ?    ?   693.615  31.2444      122.011    31.2444      361.355     -148.756     
1 1 1 4  5  18 o 0 123.3  9.7   ?    ?   512.622  157.279      276.435    157.279      58.8113     -22.7215     
1 1 1 4  5  19 f 1 16.5   2.5   ?    ?   107.816  146.85       0.548464   146.85       69.5655     -33.1498     
1 1 1 4  5  20 o 0 36.7   3.8   ?    ?   210.165  -92.2088     98.0029    -92.2088     37.8524     87.7912      
1 1 1 4  5  21 o 0 1256.8 86.9  ?    ?   1361.72  38.0954      1134.9     38.0954      262.923     38.0954      
1 1 1 4  5  22 o 0 1165.4 80.7  ?    ?   1276.24  -138.23      1097.25    -138.23      279.766     -138.23      
1 1 1 4  5  23 o 0 132.1  9.6   ?    ?   639.234  -105.769     194.66     -105.769     180.837     74.2306      
1 1 1 4  5  24 o 0 38.8   4.7   ?    ?   420.861  163.226      28.8917    163.226      215.385     -16.7738     
1 1 1 4  5  25 o 0 1569.2 128.3 ?    ?   1582.01  -77.2853     1066.63    -77.2853     157.306     -77.2853     
1 1 1 4  5  26 f 1 252.4  24    ?    ?   538.357  69.2259      457.336    69.2259      152.866     69.2259      
1 1 1 4  5  27 o 0 46.5   6.5   ?    ?   82.1505  -41.0863     82.4633    -41.0863     36.6494     -41.0863     
1 1 1 4  5  28 o 0 121.1  11    ?    ?   407.296  -148.411     271.023    -148.411     44.7343     -148.411     
1 1 1 4  5  29 o 0 291.5  21.4  ?    ?   832.178  154.958      365.583    154.958      118.177     -25.0421     
1 1 1 4  5  30 o 0 556.8  39.4  ?    ?   1029.26  -62.7542     567.898    -62.7542     26.5341     117.246      
1 1 1 4  5  31 o 0 196.5  17.2  ?    ?   545.169  -25.2338     353.297    -25.2338     43.9273     -25.2338     
1 1 1 4  5  32 o 0 52.6   10.7  ?    ?   346.243  -96.5842     122.768    -96.5842     66.2635     83.4158      
1 1 1 4  5  33 o 0 148.3  15.9  ?    ?   300.39   -104.787     385.487    -104.787     233.186     -104.787     
1 1 1 4  5  34 o 0 106.5  10.4  ?    ?   398.612  171.519      262.304    171.519      71.1552     171.519      
1 1 1 4  5  35 o 0 42.4   8.6   ?    ?   178.837  104.545      157.745    104.545      74.9005     104.545      
1 1 1 4  5  36 o 0 124.4  16.3  ?    ?   338.423  176.466      308.119    176.466      147.571     176.466      
1 1 1 4  5  37 o 0 -2.9   6.5   ?    ?   44.4984  100.008      10.4689    -79.9919     36.6105     -79.9919     
1 1 1 4  5  38 o 0 47.6   9.9   ?    ?   397.317  78.8024      112.198    78.8024      116.453     -101.198     
1 1 1 4  5  39 o 0 36.4   7.9   ?    ?   192.202  -142.765     169.034    -142.765     63.3453     -142.765     
1 1 1 4  5  40 o 0 101.7  10.1  ?    ?   349.896  -109.471     304.241    -109.471     121.633     -109.471     
1 1 1 4  5  41 o 0 27.3   7.4   ?    ?   191.172  156.479      128.252    156.479      32.0424     156.479      
1 1 1 4  5  42 o 0 -7.5   7.5   ?    ?   24.7274  154.193      0.367983   -25.8072     11.8144     -25.8072     
1 1 1 4  6  1  f 1 546.6  40.8  ?    ?   915.638  175.707      802.601    175.707      138.03      175.707      
1 1 1 4  6  3  o 0 509.8  41.7  ?    ?   1090.15  -163.27      610.251    -163.27      162.678     16.7297      
1 1 1 4  6  4  o 0 1375.3 112.2 ?    ?   1688.8   96.1665      1065.9     96.1665      120.283     -83.8335     
1 1 1 4  6  5  o 0 1554.5 126.8 ?    ?   2139.85  12.2544      822.277    12.2544      565.554     -167.746     
1 1 1 4  6  6  o 0 262    21.6  ?    ?   888.458  -53.4594     320.964    -53.4594     252.268     126.541      
1 1 1 4  6  7  o 0 105.5  7.4   ?    ?   632.417  5.1047       140.188    5.1047       266.309     -174.895     
1 1 1 4  6  8  o 0 99.7   7.7   ?    ?   574.204  -76.8386     157.065    -76.8386     210.971     103.161      
1 1 1 4  6  10 o 0 169.2  11.9  ?    ?   564.234  -97.7109     352.107    -97.7109     29.8106     82.2891      
1 1 1 4  6  11 o 0 38.3   3.4   ?    ?   146.994  156.125      88.4925    156.125      10.774      -23.8751     
1 1 1 4  6  12 o 0 318.4  20.7  ?    ?   1093.48  -77.2716     299.429    -77.2716     437.035     102.728      
1 1 1 4  6  13 o 0 27.8   2.4   ?    ?   436.495  19.9417      31.5671    -160.058     339.817     -160.058     
1 1 1 4  6  14 o 0 425.6  29.6  ?    ?   1123.99  43.179       490.848    43.179       299.873     -136.821     
1 1 1 4  6  15 o 0 22.3   2.8   ?    ?   174.591  -64.1793     25.3296    -64.1793     96.9389     115.821      
1 1 1 4  6  16 o 0 68.7   6.3   ?    ?   429.659  18.4456      165.01     18.4456      134.296     -161.554     
1 1 1 4  6  17 o 0 24.3   2.7   ?    ?   69.6555  -155.153     23.0969    -155.153     25.1311     24.8472      
1 1 1 4  6  18 o 0 132    9     ?    ?   259.468  -49.7516     417.946    -49.7516     248.589     -49.7516     
1 1 1 4  6  19 o 0 214    14.2  ?    ?   698.406  78.3217      368.059    78.3217      84.2782     -101.678     
1 1 1 4  6  20 o 0 90.1   6.6   ?    ?   339.014  -63.2918     265.638    -63.2918     47.9464     -63.2918     
1 1 1 4  6  21 o 0 243.1  17.4  ?    ?   500.75   35.6786      530.485    35.6786      211.953     35.6786      
1 1 1 4  6  22 o 0 329.6  23.4  ?    ?   733.098  0.218445     531.035    0.218445     64.5545     0.218445     
1 1 1 4  6  23 o 0 29.5   4.4   ?    ?   202.656  -164.475     52.786     -164.475     65.4789     15.5255      
1 1 1 4  6  24 o 0 314.3  22.4  ?    ?   691.225  -95.8013     480.894    -95.8013     81.069      -95.8013     
1 1 1 4  6  25 o 0 101.8  9.1   ?    ?   512.787  64.4247      181.251    64.4247      111.609     -115.575     
1 1 1 4  6  26 o 0 607.8  56.1  ?    ?   1068.2   -174.327     602.406    -174.327     1.84408     -174.327     
1 1 1 4  6  27 o 0 132.5  14.7  ?    ?   778.107  134.687      111.973    134.687      319.266     -45.313      
1 1 1 4  6  28 o 0 43.2   6.1   ?    ?   249.601  33.6869      110.101    33.6869      27.7259     -146.313     
1 1 1 4  6  29 o 0 41.4   6.2   ?    ?   205.774  -171.963     114.864    -171.963     4.03621     8.03672      
1 1 1 4  6  30 o 0 130.3  12.2  ?    ?   484.562  -26.5395     260.216    -26.5395     17.9795     153.46       
1 1 1 4  6  31 o 0 625.1  44.1  ?    ?   814.584  139.213      747.944    139.213      297.623     139.213      
1 1 1 4  6  32 o 0 26.1   7.3   ?    ?   269.653  -73.3614     46.7657    -73.3614     99.6107     106.639      
1 1 1 4  6  33 o 0 53.2   8.1   ?    ?   356.042  178.218      131.731    178.218      47.7754     -1.7823      
1 1 1 4  6  34 o 0 294.4  25.3  ?    ?   808.878  -161.529     387.583    -161.529     1.82974     -161.529     
1 1 1 4  6  35 o 0 107.9  11.5  ?    ?   485.244  92.675       226.573    92.675       2.99965     92.675       
1 1 1 4  6  36 o 0 62     10    ?    ?   317.513  76.5246      214.147    76.5246      28.2042     76.5246      
1 1 1 4  6  37 o 0 46.3   8.1   ?    ?   163.853  66.7328      220.729    66.7328      124.97      66.7328      
1 1 1 4  6  38 o 0 8.1    6.2   ?    ?   48.7547  -88.9912     13.1713    -88.9912     14.7435     91.0088      
1 1 1 4  6  39 o 0 149.1  12.8  ?    ?   548.265  -103.39      310.063    -103.39      10.0853     -103.39      
1 1 1 4  6  40 o 0 39.5   7.8   ?    ?   193.488  123.445      180.654    123.445      80.1676     123.445      
1 1 1 4  6  41 o 0 25.6   7.7   ?    ?   123.813  4.38742      135.865    4.38742      73.8545     4.38742      
1 1 1 4  6  42 f 1 17.8   7.3   ?    ?   191.791  -38.7832     87.0318    -38.7832     6.98427     -38.7832     
1 1 1 4  7  0  o 0 34.1   4.8   ?    ?   380.944  -1.00162e-14 156.717    0            104.53      180          
1 1 1 4  7  1  o 0 556.7  45.6  ?    ?   1202.15  147.599      568.085    147.599      245.216     -32.401      
1 1 1 4  7  2  o 0 36.6   2.9   ?    ?   473.038  4.05789      11.9639    -175.942     328.023     -175.942     
1 1 1 4  7  3  f 1 226.9  18.7  ?    ?   986.595  174.597      203.075    174.597      447.281     -5.40344     
1 1 1 4  7  4  o 0 175.6  14.6  ?    ?   476.062  -32.7913     404.559    -32.7913     92.8019     -32.7913     
1 1 1 4  7  5  o 0 452    37.1  ?    ?   884.933  108.186      613.462    108.186      38.2446     108.186      
1 1 1 4  7  7  o 0 113.1  8.6   ?    ?   698.928  62.6637      121.467    62.6637      328.025     -117.336     
1 1 1 4  7  8  o 0 441.9  33.1  ?    ?   663.446  -116.224     769.076    -116.224     318.206     -116.224     
1 1 1 4  7  9  o 0 261.6  18.2  ?    ?   573.344  -127.978     535.166    -127.978     146.837     -127.978     
1 1 1 4  7  10 o 0 173.8  14.5  ?    ?   715.845  91.8543      267.495    91.8543      215.828     -88.1457     
1 1 1 4  7  12 o 0 269.2  17.6  ?    ?   917.231  63.3416      327.731    63.3416      287.487     -116.658     
1 1 1 4  7  13 o 0 384.5  26.8  ?    ?   769.056  -124.129     666.65     -124.129     126.121     -124.129     
1 1 1 4  7  14 o 0 180.4  13.7  ?    ?   558.391  -112.9       413.533    -112.9       22.7692     -112.9       
1 1 1 4  7  16 o 0 479.7  39.4  ?    ?   675.828  -155.69      856.612    -155.69      388.643     -155.69      
1 1 1 4  7  17 o 0 70.2   6     ?    ?   393.043  -117.329     177.981    -117.329     77.5424     62.6713      
1 1 1 4  7  18 o 0 299.9  21    ?    ?   618.453  -4.21561     571.804    -4.21561     170.732     -4.21561     
1 1 1 4  7  19 o 0 13.2   2.5   ?    ?   111.334  105.386      13.517     -74.6139     85.1507     -74.6139     
1 1 1 4  7  20 f 1 87.6   6.5   ?    ?   392.951  39.4782      231.821    39.4782      18.1776     -140.522     
1 1 1 4  7  21 o 0 342.8  24.2  ?    ?   1140.74  -177.931     303.011    -177.931     425.41      2.06929      
1 1 1 4  7  22 o 0 588.9  41.1  ?    ?   1007.91  56.8185      702.06     56.8185      65.045      56.8185      
1 1 1 4  7  23 o 0 54.7   5.9   ?    ?   730.423  22.8736      68.4531    -157.126     491.826     -157.126     
1 1 1 4  7  24 o 0 157.9  12.9  ?    ?   559.13   -64.2002     284.941    -64.2002     36.2924     115.8        
1 1 1 4  7  25 o 0 65     7.1   ?    ?   404.796  17.4481      128.31     17.4481      101.321     -162.552     
1 1 1 4  7  26 f 1 370.5  31.3  ?    ?   961.663  -84.7657     396.79     -84.7657     138.885     95.2343      
1 1 1 4  7  27 o 0 399.7  34    ?    ?   954.908  175.117      429.242    175.117      96.4791     -4.88305     
1 1 1 4  7  28 f 1 75.7   7.7   ?    ?   538.871  47.9293      94.7901    47.9293      200.057     -132.071     
1 1 1 4  7  29 o 0 78.2   8.1   ?    ?   384.17   152.21       183.491    152.21       39.3272     -27.7897     
1 1 1 4  7  30 o 0 383    27.8  ?    ?   657.107  70.9033      569.04     70.9033      194.201     70.9033      
1 1 1 4  7  31 o 0 173.4  14.1  ?    ?   252.102  90.2231      451.042    90.2231      312.556     90.2231      
1 1 1 4  7  32 o 0 51.2   7.8   ?    ?   392.889  74.0028      111.392    74.0028      89.2278     -105.997     
1 1 1 4  7  33 o 0 57.6   8.4   ?    ?   190.561  100.77       196.32     100.77       100.837     100.77       
1 1 1 4  7  34 o 0 44.1   8.9   ?    ?   281.806  -3.52381     132.092    -3.52381     1.48387     176.476      
1 1 1 4  7  35 o 0 127.1  12.7  ?    ?   464.075  -13.3555     273.287    -13.3555     60.7485     -13.3555     
1 1 1 4  7  36 o 0 32     8.3   ?    ?   261.26   -42.739      116.587    -42.739      35.5098     137.261      
1 1 1 4  7  37 f 1 16.9   9.2   ?    ?   144.956  -152.157     66.3651    -152.157     17.641      27.8434      
1 1 1 4  7  38 o 0 21.4   6.5   ?    ?   271.342  -129.37      58.3709    -129.37      96.0981     50.6301      
1 1 1 4  7  39 o 0 125.8  11.4  ?    ?   539.058  62.4199      262.543    62.4199      30.7326     -117.58      
1 1 1 4  7  40 o 0 37.1   7     ?    ?   250.178  103.591      148.022    103.591      18.8168     103.591      
1 1 1 4  7  41 o 0 17.5   6.7   ?    ?   207.598  -6.88841     73.2204    -6.88841     24.3674     173.112      
1 1 1 4  7  42 o 0 15     8.2   ?    ?   192.83   -156.552     66.2597    -156.552     13.9945     23.448       
1 1 1 4  8  0  o 0 308.3  33    ?    ?   389.995  -180         525.834    180          259.142     180          
1 1 1 4  8  1  o 0 287.2  20    ?    ?   661.073  -123.481     526.633    -123.481     79.8392     -123.481     
1 1 1 4  8  3  o 0 309.8  23.3  ?    ?   674.31   -169.141     545.139    -169.141     98.9033     -169.141     
1 1 1 4  8  4  o 0 405.6  33.4  ?    ?   776.885  -76.9678     622.313    -76.9678     112.701     -76.9678     
1 1 1 4  8  5  o 0 507.2  41.6  ?    ?   939.604  -18.2615     651.213    -18.2615     39.4987     -18.2615     
1 1 1 4  8  6  o 0 59.7   4.7   ?    ?   450.887  146.204      102.952    146.204      206.458     -33.7957     
1 1 1 4  8  7  o 0 136.1  10.4  ?    ?   574.832  23.4735      267.867    23.4735      124.455     -156.526     
1 1 1 4  8  8  o 0 50.4   4.1   ?    ?   251.927  -115.76      146.184    -115.76      24.9447     64.2402      
1 1 1 4  8  9  o 0 81.3   6.4   ?    ?   352.783  -2.17824     228.664    -2.17824     9.95753     177.822      
1 1 1 4  8  10 o 0 104.1  8.1   ?    ?   307.868  -163.064     317.834    -163.064     110.428     -163.064     
1 1 1 4  8  11 o 0 19.7   2     ?    ?   103.045  69.7344      11.8132    69.7344      55.7386     -110.266     
1 1 1 4  8  12 o 0 78     5.4   ?    ?   237.112  -166.307     282.738    -166.307     116.076     -166.307     
1 1 1 4  8  13 o 0 121.3  9.4   ?    ?   339.502  -77.2242     385.614    -77.2242     148.047     -77.2242     
1 1 1 4  8  14 o 0 86.3   6.4   ?    ?   369.29   56.3156      260.54     56.3156      3.39107     56.3156      
1 1 1 4  8  15 o 0 15.8   2.2   ?    ?   271.543  165.412      40.1758    -14.5883     228.237     -14.5883     
1 1 1 4  8  16 o 0 96.5   7.3   ?    ?   463.154  70.8642      240.45     70.8642      78.3897     -109.136     
1 1 1 4  8  17 o 0 213.8  15.2  ?    ?   705.828  157.441      363.612    157.441      94.5606     -22.5591     
1 1 1 4  8  18 o 0 407.8  30.7  ?    ?   788.001  -107.038     630.671    -107.038     122.913     -107.038     
1 1 1 4  8  19 f 1 40.9   4     ?    ?   469.209  -71.1119     21.4792    -71.1119     277.653     108.888      
1 1 1 4  8  20 o 0 46.8   4.2   ?    ?   267.498  -54.7952     132.831    -54.7952     36.6399     125.205      
1 1 1 4  8  21 o 0 1138.4 78.8  ?    ?   1189.93  -67.3332     1117.9     -67.3332     363.286     -67.3332     
1 1 1 4  8  22 o 0 254.7  19.8  ?    ?   746.287  145.287      365.078    145.287      69.2752     -34.7129     
1 1 1 4  8  23 o 0 161.7  13.1  ?    ?   673.814  79.6029      233.623    79.6029      155.39      -100.397     
1 1 1 4  8  24 f 1 254.3  27.7  ?    ?   346.561  74.9067      552.214    74.9067      355.014     74.9067      
1 1 1 4  8  25 o 0 222.7  19.5  ?    ?   907.928  -155.969     213.726    -155.969     296.589     24.0309      
1 1 1 4  8  26 o 0 964.2  72.5  ?    ?   1304.43  39.6402      777.584    39.6402      54.2294     39.6402      
1 1 1 4  8  27 o 0 537.3  37.9  ?    ?   1120.35  -18.3747     486.656    -18.3747     132.885     161.625      
1 1 1 4  8  28 o 0 139    12.6  ?    ?   497.274  -174.456     277.453    -174.456     10.5517     5.54449      
1 1 1 4  8  29 o 0 23.2   5.8   ?    ?   211.959  52.8185      37.5697    52.8185      84.5127     -127.181     
1 1 1 4  8  30 o 0 256.4  19.5  ?    ?   833.317  -171.86      307.829    -171.86      154.75      8.14043      
1 1 1 4  8  31 o 0 100.6  9.7   ?    ?   326.404  -33.4226     267.6      -33.4226     89.5258     -33.4226     
1 1 1 4  8  32 o 0 41.5   6.9   ?    ?   237.422  36.5457      134.192    36.5457      13.7797     36.5457      
1 1 1 4  8  33 f 1 10     7.4   ?    ?   168.766  -71.4849     2.4008     108.515      83.228      108.515      
1 1 1 4  8  34 o 0 156.5  16.6  ?    ?   693.319  41.3691      231.554    41.3691      90.367      -138.631     
1 1 1 4  8  35 o 0 46.5   8.6   ?    ?   367.964  -90.0518     106.964    -90.0518     68.1789     89.9482      
1 1 1 4  8  36 o 0 55     8.1   ?    ?   377.945  -91.9173     157.405    -91.9173     65.5893     88.0827      
1 1 1 4  8  37 o 0 13.5   6.2   ?    ?   73.399   -63.7232     46.9504    -63.7232     4.48504     -63.7232     
1 1 1 4  8  38 o 0 196.6  19.2  ?    ?   463.989  -37.4256     442.781    -37.4256     186.027     -37.4256     
1 1 1 4  8  39 o 0 43     8.7   ?    ?   292.108  -25.7894     152.529    -25.7894     1.03614     154.211      
1 1 1 4  8  40 o 0 30.9   6.8   ?    ?   217.753  152.451      137.784    152.451      27.2882     152.451      
1 1 1 4  8  41 o 0 31.8   6.8   ?    ?   270.928  151.489      123.663    151.489      2.91374     -28.5107     
1 1 1 4  8  42 o 0 7.4    6.7   ?    ?   76.5864  52.3431      47.3135    52.3431      15.6321     52.3431      
1 1 1 4  9  1  o 0 83.3   6     ?    ?   736.823  171.618      13.9722    171.618      483.013     -8.38234     
1 1 1 4  9  2  o 0 26.5   2.9   ?    ?   170.227  168.943      38.8334    168.943      81.776      -11.0569     
1 1 1 4  9  3  f 1 207.3  17.2  ?    ?   692.136  47.9158      370.005    47.9158      114.654     -132.084     
1 1 1 4  9  4  o 0 219.5  16.7  ?    ?   738.597  -14.7245     361.424    -14.7245     152.781     165.276      
1 1 1 4  9  5  o 0 1205.9 98.5  ?    ?   1525.61  -95.4624     1014.03    -95.4624     40.1516     84.5376      
1 1 1 4  9  6  o 0 64     5.1   ?    ?   417.938  -129.884     137.432    -129.884     149.443     50.1159      
1 1 1 4  9  8  o 0 177.1  16.5  ?    ?   456.466  10.5875      432.19     10.5875      122.388     10.5875      
1 1 1 4  9  9  o 0 232.9  19.4  ?    ?   584.756  -113.187     470.702    -113.187     75.7988     -113.187     
1 1 1 4  9  10 o 0 70.6   5.6   ?    ?   419.293  -167.291     180.764    -167.291     115.675     12.7092      
1 1 1 4  9  12 o 0 199.5  14    ?    ?   643.458  132.453      403.83     132.453      46.7641     -47.5467     
1 1 1 4  9  13 o 0 310.3  23.4  ?    ?   804.835  139.16       513.251    139.16       47.4891     -40.8396     
1 1 1 4  9  14 o 0 149    11.5  ?    ?   682.407  -87.1872     255.471    -87.1872     217.386     92.8128      
1 1 1 4  9  16 o 0 639.5  44.4  ?    ?   1122.26  24.9543      719.548    24.9543      9.57192     -155.046     
1 1 1 4  9  17 o 0 367.1  25.9  ?    ?   443.566  -30.5021     774.14     -30.5021     487.978     -30.5021     
1 1 1 4  9  18 o 0 1549.5 115.5 ?    ?   1495.38  170.434      1260.5     170.434      303.137     170.434      
1 1 1 4  9  19 o 0 27.4   3.8   ?    ?   204.71   -136.443     49.9571    -136.443     80.0121     43.5574      
1 1 1 4  9  20 o 0 587.2  38.2  ?    ?   760.108  178.594      856.096    178.594      372.764     178.594      
1 1 1 4  9  21 o 0 360.4  25.4  ?    ?   719.134  -87.8062     537.744    -87.8062     117.81      -87.8062     
1 1 1 4  9  22 o 0 1086.9 81.4  ?    ?   1249.67  -62.128      942.843    -62.128      220.725     -62.128      
1 1 1 4  9  23 o 0 60.1   7.5   ?    ?   385.828  -160.457     121.929    -160.457     99.2023     19.5427      
1 1 1 4  9  24 o 0 24.3   5.5   ?    ?   67.2337  81.2553      18.2471    81.2553      19.8274     -98.7447     
1 1 1 4  9  25 f 1 220.5  19.3  ?    ?   654.641  -174.562     343.206    -174.562     21.0905     5.43791      
1 1 1 4  9  26 o 0 680.8  47.7  ?    ?   1524.65  153.909      417.628    153.909      421.585     -26.0911     
1 1 1 4  9  27 o 0 583    41.2  ?    ?   806.234  53.2975      695.157    53.2975      252.627     53.2975      
1 1 1 4  9  28 o 0 90     9.4   ?    ?   382.926  -98.5128     216.76     -98.5128     5.64672     81.4872      
1 1 1 4  9  29 o 0 107.6  10.8  ?    ?   351.788  133.701      271.538    133.701      70.4183     133.701      
1 1 1 4  9  30 o 0 245.9  18.7  ?    ?   738.575  -58.6164     339.548    -58.6164     67.4144     121.384      
1 1 1 4  9  31 o 0 91.7   9     ?    ?   494.549  -76.4723     182.596    -76.4723     70.9258     103.528      
1 1 1 4  9  32 o 0 42.7   7.1   ?    ?   423.516  -135.95      66.9572    -135.95      146.267     44.0498      
1 1 1 4  9  33 o 0 0.9    7.3   ?    ?   146.449  -90.506      31.5183    89.494       101.328     89.494       
1 1 1 4  9  34 o 0 15.5   7.5   ?    ?   42.2641  -155.6       16.6768    -155.6       2.80572     24.4002      
1 1 1 4  9  35 o 0 35.1   8.2   ?    ?   216.46   118.255      151.213    118.255      24.2653     118.255      
1 1 1 4  9  36 o 0 16     6.1   ?    ?   189.542  -167.263     54.3468    -167.263     56.6922     12.737       
1 1 1 4  9  37 o 0 4      6.2   ?    ?   80.4213  56.2587      0.293811   -123.741     46.4944     -123.741     
1 1 1 4  9  38 o 0 1.4    7.1   ?    ?   14.2406  -176.351     0.631913   -176.35      7.19333     3.6495       
1 1 1 4  9  39 o 0 10.7   6.9   ?    ?   92.2381  -74.6417     42.0144    -74.6417     6.14088     105.358      
1 1 1 4  9  40 o 0 24.8   7.5   ?    ?   146.415  -9.03404     128.844    -9.03404     55.0567     -9.03404     
1 1 1 4  9  41 o 0 10.9   9.2   ?    ?   68.1032  -100.772     67.0236    -100.772     38.3219     -100.772     
1 1 1 4  10 1  o 0 228.9  17.3  ?    ?   773.959  147.315      366.018    147.315      186.024     -32.6845     
1 1 1 4  10 4  o 0 295.7  24.4  ?    ?   548.117  -78.6811     625.663    -78.6811     244.401     -78.6811     
1 1 1 4  10 5  o 0 377.8  28.4  ?    ?   764.219  1.92293      619.713    1.92293      92.0196     1.92293      
1 1 1 4  10 6  o 0 13.7   2     ?    ?   115.18   69.2892      18.922     -110.711     97.9177     -110.711     
1 1 1 4  10 7  o 0 68.1   6.7   ?    ?   379.418  -129.281     170.878    -129.281     87.7278     50.7187      
1 1 1 4  10 8  o 0 275.2  22.9  ?    ?   974.944  130.195      343.051    130.195      351.881     -49.8052     
1 1 1 4  10 9  o 0 125.5  10.7  ?    ?   132.29   20.2929      411.042    20.2929      317.266     20.2929      
1 1 1 4  10 10 o 0 111.7  9.6   ?    ?   449.046  23.4427      301.221    23.4427      15.3887     -156.557     
1 1 1 4  10 12 o 0 20.3   2.1   ?    ?   468.519  -67.8658     98.5999    112.134      425.398     112.134      
1 1 1 4  10 13 o 0 48.5   4.1   ?    ?   299.076  -178.808     141.84     -178.808     65.593      1.19201      
1 1 1 4  10 14 o 0 36.6   3.3   ?    ?   275.565  -128.571     84.7263    -128.571     94.7856     51.4287      
1 1 1 4  10 15 o 0 19     2.3   ?    ?   379.176  91.6553      56.0005    -88.3447     302.577     -88.3447     
1 1 1 4  10 16 o 0 295.5  19.4  ?    ?   726.204  -90.0003     498.095    -90.0004     29.0767     -90.0004     
1 1 1 4  10 17 o 0 82.7   6.5   ?    ?   188.458  -39.5507     276.371    -39.5507     155.553     -39.5507     
1 1 1 4  10 18 o 0 131    10.4  ?    ?   430.097  84.2294      331.488    84.2294      57.9506     84.2294      
1 1 1 4  10 19 o 0 22.9   3.4   ?    ?   327.79   -141.187     11.4004    38.8131      220.282     38.8131      
1 1 1 4  10 20 o 0 131.5  9.9   ?    ?   656.145  -94.3053     197.89     -94.3053     216.376     85.6947      
1 1 1 4  10 21 o 0 175.6  13    ?    ?   580.388  146.699      313.537    146.699      22.9091     -33.3007     
1 1 1 4  10 22 o 0 956.7  87.7  ?    ?   1317.52  112.853      787.515    112.853      29.5414     112.853      
1 1 1 4  10 23 o 0 181.2  17.3  ?    ?   450.585  -117.501     380.067    -117.501     123.775     -117.501     
1 1 1 4  10 24 o 0 15.4   5.8   ?    ?   196.324  -178.972     17.65      1.02771      127.738     1.02771      
1 1 1 4  10 25 o 0 592.5  41.6  ?    ?   883.443  104.982      682.539    104.982      193.465     104.982      
1 1 1 4  10 26 o 0 124.2  10.3  ?    ?   550.059  10.6674      207.864    10.6674      96.0093     -169.333     
1 1 1 4  10 27 o 0 378.3  27.2  ?    ?   668.648  149.299      573.354    149.299      186.2       149.299      
1 1 1 4  10 28 o 0 21.5   5.4   ?    ?   263.808  18.0101      15.602     18.0101      136.416     -161.99      
1 1 1 4  10 29 o 0 173.7  15.2  ?    ?   408.622  96.0315      389.652    96.0315      162.541     96.0315      
1 1 1 4  10 30 o 0 272.4  22.4  ?    ?   828.667  62.4599      327.725    62.4599      125.29      -117.54      
1 1 1 4  10 31 o 0 116.8  10.6  ?    ?   544.793  -72.2048     216.059    -72.2048     61.0281     107.795      
1 1 1 4  10 32 o 0 43.9   7.5   ?    ?   67.0142  -63.3447     112.605    -63.3447     80.3089     -63.3447     
1 1 1 4  10 33 o 0 15     6.9   ?    ?   146.113  -145.418     32.5652    -145.418     35.5824     34.5815      
1 1 1 4  10 34 o 0 15     8     ?    ?   181.453  -18.9197     27.816     -18.9197     55.1787     161.08       
1 1 1 4  10 35 o 0 75.7   9.1   ?    ?   533.008  112.992      145.332    112.992      164.845     -67.0081     
1 1 1 4  10 36 o 0 28.4   6.6   ?    ?   186.751  78.4172      132.644    78.4172      24.0807     78.4172      
1 1 1 4  10 37 o 0 23.8   6.2   ?    ?   143.066  159.985      120.698    159.985      39.1375     159.985      
1 1 1 4  10 38 o 0 21.4   7.1   ?    ?   127.512  113.571      106.458    113.571      36.9221     113.571      
1 1 1 4  10 39 o 0 45.5   8.1   ?    ?   374.373  -36.3692     126.221    -36.3692     65.5596     143.631      
1 1 1 4  10 40 o 0 -7.9   9.1   ?    ?   123.189  -73.9566     1.95757    106.043      60.1083     106.043      
1 1 1 4  10 41 o 0 8.5    8     ?    ?   121.112  -16.576      53.6892    -16.576      3.02676     -16.576      
1 1 1 4  11 0  o 0 139.8  13.2  ?    ?   598.098  -4.05731e-14 371.477    0            56.6347     180          
1 1 1 4  11 2  f 1 30.6   2.7   ?    ?   219.407  -125.527     57.5227    -125.527     96.683      54.473       
1 1 1 4  11 3  o 0 120.2  11.2  ?    ?   642.956  136.935      187.228    136.935      262.34      -43.0653     
1 1 1 4  11 4  o 0 534    37    ?    ?   934.901  -10.9853     731.156    -10.9853     82.3085     -10.9853     
1 1 1 4  11 5  o 0 121.6  9.4   ?    ?   567.428  -43.6248     247.246    -43.6248     134.778     136.375      
1 1 1 4  11 7  o 0 45.5   4.3   ?    ?   209.529  -147.471     150.812    -147.471     0.914493    -147.471     
1 1 1 4  11 8  o 0 605.4  49.8  ?    ?   948.183  -104.825     860.644    -104.825     186.458     -104.825     
1 1 1 4  11 9  o 0 52     5.5   ?    ?   346.541  37.721       140.625    37.721       104.319     -142.279     
1 1 1 4  11 10 o 0 135.9  11.5  ?    ?   588.678  93.996       284.038    93.996       129.634     -86.004      
1 1 1 4  11 12 o 0 168.5  14.1  ?    ?   664.262  -88.649      315.732    -88.649      145.58      91.351       
1 1 1 4  11 13 o 0 2029.3 140   ?    ?   1901.99  -100.41      1342.41    -100.41      102.015     -100.41      
1 1 1 4  11 14 o 0 309.5  20.3  ?    ?   931.789  109.674      397.791    109.674      208.777     -70.3259     
1 1 1 4  11 15 o 0 21     2.4   ?    ?   170.787  125.495      18.9015    125.495      91.5202     -54.5051     
1 1 1 4  11 16 o 0 100.4  7.1   ?    ?   369.462  -108.165     282.428    -108.165     45.2831     -108.165     
1 1 1 4  11 17 f 1 225.6  15.1  ?    ?   627.157  -123.119     427.587    -123.119     29.1745     -123.119     
1 1 1 4  11 18 o 0 1146.9 85.7  ?    ?   1323.16  -87.2884     1046.74    -87.2884     202.098     -87.2884     
1 1 1 4  11 19 o 0 20.1   3     ?    ?   312.712  75.3962      23.175     -104.604     221.029     -104.604     
1 1 1 4  11 20 o 0 191.1  15.1  ?    ?   724.643  -121.172     266.461    -121.172     154.684     58.8278      
1 1 1 4  11 21 o 0 625.5  46.9  ?    ?   1203     142.244      563.985    142.244      130.221     -37.756      
1 1 1 4  11 23 o 0 418.5  39.2  ?    ?   761.228  33.2778      565.147    33.2778      136.508     33.2778      
1 1 1 4  11 24 o 0 159.2  14.9  ?    ?   538.127  149.831      290.653    149.831      8.68097     -30.1685     
1 1 1 4  11 25 o 0 534.2  40.7  ?    ?   961.283  -44.9436     570.754    -44.9436     36.8217     -44.9436     
1 1 1 4  11 26 o 0 429.9  30.7  ?    ?   1095.79  24.2078      378.601    24.2078      221.792     -155.792     
1 1 1 4  11 27 o 0 182.4  14.2  ?    ?   585.492  62.3267      315.036    62.3267      24.642      -117.673     
1 1 1 4  11 28 o 0 57.2   7     ?    ?   248.311  -167.56      170.132    -167.56      28.2311     -167.56      
1 1 1 4  11 29 o 0 364    26.4  ?    ?   961.05   22.9623      384.673    22.9623      145.028     -157.038     
1 1 1 4  11 30 o 0 41     7.3   ?    ?   325.555  -73.002      103.578    -73.002      63.4831     106.998      
1 1 1 4  11 31 o 0 35.6   7.1   ?    ?   164.169  -164.672     119.71     -164.672     36.9094     -164.672     
1 1 1 4  11 32 o 0 49.5   7.8   ?    ?   382.976  45.1841      114.993    45.1841      68.0307     -134.816     
1 1 1 4  11 33 o 0 29.3   7.5   ?    ?   253.742  -30.2995     89.5417    -30.2995     27.8162     149.7        
1 1 1 4  11 34 o 0 2.8    6.9   ?    ?   214.112  -0.489658    46.6147    179.51       172.704     179.51       
1 1 1 4  11 35 o 0 26.5   7     ?    ?   323.398  -14.3368     61.6508    -14.3368     128.74      165.663      
1 1 1 4  11 36 o 0 38.8   7.4   ?    ?   215.732  -73.2319     170.982    -73.2319     46.3355     -73.2319     
1 1 1 4  11 37 o 0 5.7    6.7   ?    ?   62.3906  12.3523      11.9919    12.3523      22.5166     -167.648     
1 1 1 4  11 38 o 0 36.6   8.5   ?    ?   205.474  -103.141     164.424    -103.141     56.3594     -103.141     
1 1 1 4  11 39 o 0 31.3   7.5   ?    ?   202.19   -151.786     144.068    -151.786     41.337      -151.786     
1 1 1 4  11 40 o 0 26.6   7.6   ?    ?   164.216  35.2685      137.252    35.2685      60.3652     35.2685      
1 1 1 4  12 0  o 0 222.2  24    ?    ?   540.004  180          499.339    180          95.3322     -180         
1 1 1 4  12 1  o 0 164.4  12.5  ?    ?   567.928  -109.537     392.198    -109.537     29.775      70.4632      
1 1 1 4  12 3  o 0 113.4  7.6   ?    ?   633.59   -149.012     200.526    -149.012     263.608     30.9884      
1 1 1 4  12 4  f 1 142    10.1  ?    ?   509.886  98.6444      363.023    98.6444      6.93178     -81.3556     
1 1 1 4  12 5  o 0 45.2   4.2   ?    ?   436.042  161.642      64.3752    161.642      250.652     -18.3582     
1 1 1 4  12 8  o 0 185.8  15.6  ?    ?   666.67   -83.5034     361.157    -83.5034     111.218     96.4966      
1 1 1 4  12 9  o 0 54.6   5     ?    ?   315.812  116.36       165.261    116.36       57.1236     -63.6405     
1 1 1 4  12 10 o 0 65.5   6     ?    ?   359.6    -150.759     190.109    -150.759     61.5461     29.2412      
1 1 1 4  12 11 f 1 58.9   7     ?    ?   107.369  3.66297      162.824    3.66297      88.3447     3.66297      
1 1 1 4  12 12 o 0 470.8  38.9  ?    ?   922.85   113.585      642.46     113.585      37.0924     113.585      
1 1 1 4  12 14 o 0 181.4  12.1  ?    ?   534.497  172.538      397.315    172.538      51.3825     172.538      
1 1 1 4  12 15 o 0 46.1   3.8   ?    ?   389.879  -22.6072     84.3339    -22.6072     166.184     157.393      
1 1 1 4  12 16 o 0 175.8  11.9  ?    ?   843.464  150.478      197.141    150.478      340.708     -29.5221     
1 1 1 4  12 17 o 0 674    43.8  ?    ?   1058.74  107.041      774.698    107.041      97.8982     107.041      
1 1 1 4  12 18 o 0 393.9  27.7  ?    ?   689.768  85.4276      649.356    85.4276      212.207     85.4276      
1 1 1 4  12 19 o 0 40.6   4.5   ?    ?   285.341  60.85        88.0482    60.85        78.1196     -119.15      
1 1 1 4  12 20 o 0 55.5   5.8   ?    ?   505.516  56.003       51.427     56.003       240.992     -123.997     
1 1 1 4  12 21 o 0 510.4  47.2  ?    ?   970.605  65.3363      564.958    65.3363      9.30318     65.3363      
1 1 1 4  12 22 o 0 469.1  39.2  ?    ?   735.812  147.635      639.827    147.635      223.204     147.635      
1 1 1 4  12 23 o 0 108.7  10.7  ?    ?   353.024  126.787      268.643    126.787      71.5051     126.787      
1 1 1 4  12 24 o 0 125.4  11.2  ?    ?   303.297  123.947      321.995    123.947      154.706     123.947      
1 1 1 4  12 25 o 0 243.5  19.7  ?    ?   523.92   -79.8045     434.37     -79.8045     145.849     -79.8045     
1 1 1 4  12 26 o 0 360.6  26.1  ?    ?   1003.94  -82.6717     358.606    -82.6717     227.17      97.3283      
1 1 1 4  12 27 o 0 215.6  16.5  ?    ?   535.079  -68.237      397.341    -68.237      89.614      -68.237      
1 1 1 4  12 28 o 0 18.1   5.4   ?    ?   216.439  -167.459     19.971     -167.459     100.164     12.5411      
1 1 1 4  12 29 o 0 41.3   6.5   ?    ?   247.597  -96.3759     120.557    -96.3759     14.7075     83.6241      
1 1 1 4  12 30 o 0 56.7   7.8   ?    ?   409.601  73.1378      121.673    73.1378      86.6569     -106.862     
1 1 1 4  12 31 o 0 102.6  12.1  ?    ?   320.124  34.6932      285.279    34.6931      130.891     34.6931      
1 1 1 4  12 32 o 0 66.2   9.2   ?    ?   308.943  174.244      198.403    174.244      54.1013     174.244      
1 1 1 4  12 33 o 0 25.2   6.6   ?    ?   130.195  -1.78934     95.7808    -1.78934     33.3437     -1.78934     
1 1 1 4  12 34 o 0 18.7   6.1   ?    ?   233.903  -79.3834     51.266     -79.3834     85.2539     100.617      
1 1 1 4  12 35 o 0 75     9     ?    ?   362.49   -16.6385     230.239    -16.6385     18.7281     -16.6385     
1 1 1 4  12 36 o 0 91.8   13.3  ?    ?   358.879  142.274      270.161    142.274      64.6448     142.274      
1 1 1 4  12 37 o 0 48     7.8   ?    ?   195.148  94.4855      214.645    94.4855      107.662     94.4855      
1 1 1 4  12 38 o 0 37     6.9   ?    ?   250.938  -159.25      152.829    -159.25      23.4985     -159.25      
1 1 1 4  12 39 o 0 64.8   8.2   ?    ?   284.403  -170.619     240.34     -170.619     105.166     -170.619     
1 1 1 4  12 40 o 0 17.3   8.2   ?    ?   125.717  3.08358      99.1636    3.08358      46.1712     3.08358      
1 1 1 4  13 0  o 0 155.4  20.7  ?    ?   846.918  180          413.395    180          215.596     -5.2097e-14  
1 1 1 4  13 1  f 1 147.3  11.3  ?    ?   495.733  25.7435      391.726    25.7435      26.7408     25.7435      
1 1 1 4  13 2  o 0 24.5   2.4   ?    ?   110.154  44.0009      34.9789    44.0009      45.8136     -135.999     
1 1 1 4  13 3  o 0 285.6  18.7  ?    ?   664.12   -50.4774     587.803    -50.4774     103.873     -50.4774     
1 1 1 4  13 4  o 0 1329.9 92    ?    ?   1269.05  178.101      1400.29    178.101      481.627     178.101      
1 1 1 4  13 5  o 0 1001.8 64.8  ?    ?   1281.63  106.809      1090.06    106.809      168.365     106.809      
1 1 1 4  13 6  o 0 47.6   3.9   ?    ?   256.987  19.2288      154.612    19.2288      29.0022     -160.771     
1 1 1 4  13 8  o 0 690.9  63.4  ?    ?   1140.32  36.0528      825.841    36.0528      21.5181     36.0528      
1 1 1 4  13 9  o 0 319.5  26.5  ?    ?   820.276  76.1496      493.789    76.1496      49.3945     -103.85      
1 1 1 4  13 10 o 0 409.3  37.7  ?    ?   1001.62  -123.964     509.833    -123.964     152.228     56.0358      
1 1 1 4  13 11 o 0 97.1   8.7   ?    ?   305.177  30.0454      306.921    30.0454      106.518     30.0454      
1 1 1 4  13 12 o 0 50.7   5.2   ?    ?   175.894  47.2132      160.103    47.2132      45.371      47.2132      
1 1 1 4  13 13 o 0 731.3  60.3  ?    ?   1293.54  33.6538      706.844    33.6538      131.074     -146.346     
1 1 1 4  13 14 o 0 58.7   5.3   ?    ?   470.928  77.8772      93.9936    77.8772      208.863     -102.123     
1 1 1 4  13 15 o 0 113.8  8     ?    ?   389.542  95.0982      305.163    95.0982      53.8912     95.0982      
1 1 1 4  13 16 o 0 151.6  10.4  ?    ?   361.014  131.86       410.368    131.86       179.346     131.86       
1 1 1 4  13 17 o 0 1312.8 84.9  ?    ?   1762.79  76.8448      834.487    76.8448      202.835     -103.155     
1 1 1 4  13 18 o 0 255.8  18.2  ?    ?   682.038  87.6242      402.936    87.6242      5.14877     87.6242      
1 1 1 4  13 19 o 0 3.4    2.7   ?    ?   220.733  -17.6542     100.605    162.346      228.524     162.346      
1 1 1 4  13 20 o 0 4.7    3.9   ?    ?   191.126  0.264851     76.9561    -179.735     186.615     -179.735     
1 1 1 4  13 21 o 0 1509.2 138.2 ?    ?   1585.67  0.883017     997.303    0.883017     97.1124     0.883017     
1 1 1 4  13 22 o 0 184.2  21.9  ?    ?   328.709  1.74181      434.201    1.74181      250.071     1.74181      
1 1 1 4  13 23 o 0 170.6  15.6  ?    ?   380.831  -151.902     384.279    -151.902     173.465     -151.902     
1 1 1 4  13 24 o 0 56.1   6.7   ?    ?   275.795  -32.4629     149.354    -32.4629     3.15688     147.537      
1 1 1 4  13 25 o 0 171.1  14.6  ?    ?   273.228  90.8972      444.974    90.8972      286.435     90.8972      
1 1 1 4  13 26 o 0 91.3   9.7   ?    ?   445.33   177.072      188.703    177.072      68.775      -2.92751     
1 1 1 4  13 27 o 0 96.5   10    ?    ?   261.507  167.762      289.382    167.762      143.367     167.762      
1 1 1 4  13 28 o 0 9.5    5.3   ?    ?   275.405  32.0043      57.9195    -147.996     209.369     -147.996     
1 1 1 4  13 29 f 1 53.6   6.9   ?    ?   384.195  144.416      124.469    144.416      71.8539     -35.5837     
1 1 1 4  13 30 o 0 116.2  11.6  ?    ?   505.325  172.817      240.7      172.817      4.94248     -7.18301     
1 1 1 4  13 31 o 0 9.1    8     ?    ?   119.104  -27.3384     0.0349315  -27.3384     56.866      152.662      
1 1 1 4  13 32 o 0 11.5   7.8   ?    ?   177.616  -84.0444     10.5087    -84.0444     71.6705     95.9556      
1 1 1 4  13 33 o 0 63.5   7.6   ?    ?   205.065  -145.594     272.89     -145.594     151.998     -145.594     
1 1 1 4  13 34 o 0 9.3    7.4   ?    ?   86.7504  -3.73881     22.9832    -3.73881     28.1805     176.261      
1 1 1 4  13 35 o 0 49.2   7.6   ?    ?   347.374  84.9773      149.42     84.9773      51.7958     -95.0227     
1 1 1 4  13 36 o 0 15.6   6.6   ?    ?   313.867  28.9366      2.06548    28.9366      172.106     -151.063     
1 1 1 4  13 37 o 0 17.1   6.6   ?    ?   126.908  30.9194      85.0295    30.9194      18.0154     30.9194      
1 1 1 4  13 38 o 0 6      6.6   ?    ?   180.873  -24.5007     5.18836    -24.5007     87.1534     155.499      
1 1 1 4  13 39 o 0 102.4  14.5  ?    ?   363.444  -151.523     289.059    -151.523     117.942     -151.523     
1 1 1 4  14 0  o 0 784.4  83.3  ?    ?   1219.26  -2.10319e-14 916.343    0            18.3155     1.03122e-12  
1 1 1 4  14 1  f 1 296.5  22.5  ?    ?   1033.12  15.2948      355.869    15.2948      398.993     -164.705     
1 1 1 4  14 2  o 0 31.8   2.7   ?    ?   260.336  154.851      71.2273    154.851      118.381     -25.1494     
1 1 1 4  14 3  o 0 97.3   7.6   ?    ?   448.947  -15.6844     263.878    -15.6844     61.1371     164.316      
1 1 1 4  14 4  o 0 517.2  33.7  ?    ?   969.374  37.0184      747.996    37.0184      50.5409     37.0184      
1 1 1 4  14 5  f 1 167.8  11.2  ?    ?   607.883  129.057      362.167    129.057      71.3425     -50.943      
1 1 1 4  14 7  f 1 23.4   2.3   ?    ?   105.483  119.605      26.7044    119.605      43.4726     -60.3952     
1 1 1 4  14 8  o 0 161.6  13.7  ?    ?   443.05   -20.9293     414.912    -20.9293     119.932     -20.9293     
1 1 1 4  14 9  o 0 168.6  18.2  ?    ?   445.94   -58.3309     425.61     -58.3309     130.637     -58.3309     
1 1 1 4  14 10 o 0 24     3.3   ?    ?   211.133  6.83842      31.7216    6.83842      107.011     -173.162     
1 1 1 4  14 11 o 0 27.8   3.6   ?    ?   77.9677  41.487       35.9575    41.487       14.9276     -138.513     
1 1 1 4  14 12 o 0 454.4  34.4  ?    ?   1127.6   -40.3606     487.737    -40.3606     243.064     139.639      
1 1 1 4  14 13 o 0 498.4  37.7  ?    ?   559.381  32.537       889.319    32.537       529.394     32.537       
1 1 1 4  14 14 o 0 115    8.7   ?    ?   424.359  -37.5727     290.845    -37.5727     16.9623     -37.5727     
1 1 1 4  14 15 o 0 105.2  8.7   ?    ?   419.145  130.489      264.468    130.489      3.92761     -49.5108     
1 1 1 4  14 16 o 0 569.8  39.7  ?    ?   1146.47  -84.4326     554.184    -84.4326     121.003     95.5674      
1 1 1 4  14 17 o 0 40.7   3.9   ?    ?   180.227  -110.81      101.196    -110.81      4.02431     69.1897      
1 1 1 4  14 18 o 0 396.3  27.9  ?    ?   794.163  -80.0696     537.495    -80.0696     76.6752     -80.0696     
1 1 1 4  14 19 f 1 29.3   3.9   ?    ?   322.533  -64.963      24.9018    -64.963      159.969     115.037      
1 1 1 4  14 20 o 0 142.7  12.9  ?    ?   490.404  -112.322     286.797    -112.322     8.45237     -112.322     
1 1 1 4  14 21 o 0 84.5   8.6   ?    ?   423.244  -115.09      178.03     -115.09      59.613      64.91        
1 1 1 4  14 22 o 0 797.8  60.2  ?    ?   1139.14  -25.4932     733.472    -25.4932     101.121     -25.4932     
1 1 1 4  14 23 o 0 163.7  12.8  ?    ?   422.418  -163.156     350.865    -163.156     116.506     -163.156     
1 1 1 4  14 24 o 0 50.2   6.6   ?    ?   146.338  -179.329     144.236    -179.329     59.0012     -179.329     
1 1 1 4  14 25 o 0 518.4  39.9  ?    ?   958.523  176.255      568.618    176.255      12.0128     176.255      
1 1 1 4  14 26 o 0 782.6  59.4  ?    ?   1290.78  42.5124      639.352    42.5124      84.9189     -137.488     
1 1 1 4  14 27 o 0 66     7.5   ?    ?   314.534  -6.75897     182.591    -6.75897     8.66685     -6.75897     
1 1 1 4  14 28 o 0 28.6   5.9   ?    ?   270.416  15.1997      72.4512    15.1997      66.9384     -164.8       
1 1 1 4  14 29 f 1 30.7   6.5   ?    ?   137.351  154.322      97.2515    154.322      27.7559     154.322      
1 1 1 4  14 30 o 0 26.2   6.4   ?    ?   107.696  -172.149     78.3011    -172.149     26.467      -172.149     
1 1 1 4  14 31 f 1 164.4  16    ?    ?   205.843  109.247      444.328    109.247      348.563     109.247      
1 1 1 4  14 32 o 0 24.8   8.1   ?    ?   243.672  18.3828      67.5048    18.3828      49.2664     -161.617     
1 1 1 4  14 33 o 0 12.2   6.2   ?    ?   185.514  122.369      27.7407    122.369      82.7099     -57.6307     
1 1 1 4  14 34 o 0 -5.3   5.7   ?    ?   40.1509  -152.908     12.4566    27.0925      35.951      27.0925      
1 1 1 4  14 35 o 0 274.3  22.8  ?    ?   656.791  -109.86      474.029    -109.86      105.587     -109.86      
1 1 1 4  14 36 o 0 49.1   7.8   ?    ?   215.127  -38.8236     215.432    -38.8236     100.514     -38.8236     
1 1 1 4  14 37 o 0 31.4   7.1   ?    ?   243.186  -60.2694     131.077    -60.2694     5.38971     -60.2694     
1 1 1 4  14 38 o 0 22.1   7.3   ?    ?   147.481  6.22315      118.89     6.22315      48.5454     6.22315      
1 1 1 4  14 39 o 0 19.4   6.8   ?    ?   228.185  52.7759      85.5453    52.7759      11.0521     -127.224     
1 1 1 4  15 0  o 0 106.8  12.1  ?    ?   318.132  -2.01046e-14 312.9      0            93.5459     4.7143e-14   
1 1 1 4  15 1  o 0 20.2   2.5   ?    ?   145.894  -151.636     14.93      -151.636     85.1792     28.3644      
1 1 1 4  15 2  o 0 14.4   2.2   ?    ?   412.362  -55.8251     111.637    124.175      394.419     124.175      
1 1 1 4  15 3  o 0 136.7  9.2   ?    ?   630.845  -60.2781     250.66     -60.2781     179.553     119.722      
1 1 1 4  15 4  f 1 205.4  13.7  ?    ?   517.123  -90.2478     479.611    -90.2478     129.895     -90.2478     
1 1 1 4  15 5  o 0 414.5  28.9  ?    ?   854.573  -155.82      627.192    -155.82      51.2444     -155.82      
1 1 1 4  15 6  o 0 195.6  14.8  ?    ?   767.87   59.4714      297.939    59.4714      216.395     -120.529     
1 1 1 4  15 7  o 0 82.8   6.2   ?    ?   543.706  -146.453     141.897    -146.453     220.001     33.547       
1 1 1 4  15 8  o 0 405.9  28.2  ?    ?   970.562  -3.445       529.821    -3.445       112.051     176.555      
1 1 1 4  15 9  o 0 1573.4 128.9 ?    ?   1577.89  -70.6754     1249.47    -70.6754     212.799     -70.6754     
1 1 1 4  15 10 o 0 41     4.6   ?    ?   178.85   80.298       118.64     80.298       1.9273      80.298       
1 1 1 4  15 11 o 0 72.2   8.8   ?    ?   308.609  -79.3463     221.344    -79.3463     21.3493     -79.3463     
1 1 1 4  15 12 o 0 513.2  47.3  ?    ?   897.801  -132.641     695.792    -132.641     111.991     -132.641     
1 1 1 4  15 13 o 0 1312.2 98.4  ?    ?   1429.91  -164.729     1121.95    -164.729     199.05      -164.729     
1 1 1 4  15 14 o 0 566.3  42.7  ?    ?   630.022  9.08079      847.306    9.08079      473.139     9.08079      
1 1 1 4  15 15 o 0 151.1  11.3  ?    ?   592.446  -78.0081     262.053    -78.0081     86.9492     101.992      
1 1 1 4  15 16 o 0 531.8  37.2  ?    ?   961.994  1.83964      610.814    1.83964      47.2062     1.83964      
1 1 1 4  15 17 o 0 726.3  47.3  ?    ?   1086.66  -124.173     733.585    -124.173     102.611     -124.173     
1 1 1 4  15 18 o 0 203.4  17    ?    ?   757.131  121.46       266.101    121.46       169.406     -58.5402     
1 1 1 4  15 19 o 0 18.9   3.6   ?    ?   90.1236  157.035      9.44178    157.035      41.7753     -22.9654     
1 1 1 4  15 20 o 0 93.5   9.1   ?    ?   488.71   73.7629      171.399    73.7629      103.446     -106.237     
1 1 1 4  15 21 o 0 163.7  13.5  ?    ?   295.42   -163.724     406.642    -163.724     242.32      -163.724     
1 1 1 4  15 22 o 0 189.1  14.3  ?    ?   678.176  169.607      270.318    169.607      106.858     -10.3926     
1 1 1 4  15 23 o 0 24.8   5.6   ?    ?   179.381  126.359      42.7308    126.359      62.0551     -53.6408     
1 1 1 4  15 24 o 0 171.1  14.5  ?    ?   525.661  84.779       326.655    84.7791      20.3657     84.7791      
1 1 1 4  15 25 o 0 51.3   7.4   ?    ?   282.469  -179.714     139.492    -179.714     22.898      0.285924     
1 1 1 4  15 26 o 0 397.9  31.3  ?    ?   636.147  -72.2556     602.059    -72.2556     248.714     -72.2556     
1 1 1 4  15 27 o 0 103.9  9.5   ?    ?   413.12   -49.9423     251.95     -49.9423     37.92       -49.9423     
1 1 1 4  15 28 o 0 8.6    5.2   ?    ?   88.4125  149.12       7.90063    -30.8796     53.005      -30.8796     
1 1 1 4  15 29 o 0 44.8   7     ?    ?   228.898  -35.9632     155.33     -35.9632     44.4678     -35.9632     
1 1 1 4  15 30 o 0 209.5  26.8  ?    ?   571.697  18.4168      370.775    18.4168      102.266     18.4168      
1 1 1 4  15 31 o 0 34.6   6.7   ?    ?   263.391  -54.53       108.699    -54.53       18.4801     125.47       
1 1 1 4  15 32 o 0 18.3   5.7   ?    ?   180.675  -173.948     79.9313    -173.948     28.5262     6.05162      
1 1 1 4  15 33 o 0 31.6   7.8   ?    ?   265.571  -5.36028     115.346    -5.36028     41.0978     174.64       
1 1 1 4  15 34 o 0 92.5   9.1   ?    ?   547.998  78.8609      178.624    78.8609      138.639     -101.139     
1 1 1 4  15 35 o 0 25.8   6.9   ?    ?   176.009  54.9321      126.676    54.9321      28.9892     54.9321      
1 1 1 4  15 36 o 0 18.8   7.8   ?    ?   301.465  -127.117     28.439     -127.117     130.887     52.8828      
1 1 1 4  15 37 o 0 11.1   7.7   ?    ?   147.739  75.2806      44.2688    75.2806      31.2749     -104.719     
1 1 1 4  15 38 o 0 52.3   9.2   ?    ?   385.526  -157.816     166.849    -157.816     1.61535     -157.816     
1 1 1 4  16 1  o 0 1099.5 82.3  ?    ?   1379.65  164.603      1052.83    164.603      110.908     164.603      
1 1 1 4  16 2  o 0 103.1  7.7   ?    ?   526.98   48.0415      219.297    48.0415      138.777     -131.959     
1 1 1 4  16 3  o 0 96.9   6.8   ?    ?   519.451  80.4166      203.867    80.4166      147.284     -99.5834     
1 1 1 4  16 4  o 0 128.8  8.8   ?    ?   453.977  -51.1964     331.425    -51.1964     26.2057     -51.1964     
1 1 1 4  16 5  f 1 487.9  34    ?    ?   1030.53  -8.24549     614.093    -8.24549     73.0263     171.755      
1 1 1 4  16 6  o 0 62     4.8   ?    ?   318.756  132.138      185.433    132.138      26.384      -47.862      
1 1 1 4  16 7  o 0 66.7   5.3   ?    ?   346.336  49.7983      190.287    49.7983      38.4392     -130.202     
1 1 1 4  16 8  o 0 1604.5 119.5 ?    ?   1462.55  146.171      1357.88    146.171      398.14      146.171      
1 1 1 4  16 9  f 1 139.9  12.1  ?    ?   749.029  -22.6847     171.465    -22.6847     320.748     157.315      
1 1 1 4  16 10 f 1 306.2  25.8  ?    ?   684.141  -121.247     538.288    -121.247     91.773      -121.247     
1 1 1 4  16 11 o 0 14.6   2.9   ?    ?   252.308  81.3329      40.818     -98.6671     204.752     -98.6671     
1 1 1 4  16 12 o 0 626.8  47.3  ?    ?   1350.33  -172.431     503.824    -172.431     303.839     7.56891      
1 1 1 4  16 13 o 0 32.1   4.3   ?    ?   259.861  16.9889      57.5572    16.9889      96.689      -163.011     
1 1 1 4  16 14 o 0 183.7  17.8  ?    ?   526.261  60.0431      361.242    60.0431      50.4003     60.0431      
1 1 1 4  16 15 o 0 206.9  16.6  ?    ?   637.996  -127.572     342.69     -127.572     31.02       52.4283      
1 1 1 4  16 16 o 0 332.3  23.7  ?    ?   647.728  88.4422      531.609    88.4422      155.5       88.4422      
1 1 1 4  16 17 o 0 1197   109.7 ?    ?   1495.04  42.2315      860.491    42.2315      0.307457    42.2315      
1 1 1 4  16 18 f 1 130.6  10.8  ?    ?   306.719  -20.8549     342.83     -20.8549     168.875     -20.8549     
1 1 1 4  16 19 o 0 20.6   3.6   ?    ?   336.484  -124.225     22.9009    55.7752      212.3       55.7752      
1 1 1 4  16 20 o 0 50.1   5.7   ?    ?   180.799  -107.957     145.462    -107.957     43.6109     -107.957     
1 1 1 4  16 21 o 0 118.9  10.5  ?    ?   438.271  0.98307      252.355    0.98307      8.2094      0.98307      
1 1 1 4  16 22 o 0 113.9  9.6   ?    ?   429.854  -106.446     257.433    -106.446     5.81807     -106.446     
1 1 1 4  16 23 o 0 74.2   9.3   ?    ?   147.689  2.42003      234.826    2.42003      148.556     2.42003      
1 1 1 4  16 24 o 0 74.6   9.5   ?    ?   427.801  -49.8898     159.656    -49.8898     82.0585     130.11       
1 1 1 4  16 25 o 0 51.4   6.9   ?    ?   444.252  -25.4913     77.0825    -25.4913     170.542     154.509      
1 1 1 4  16 26 o 0 535.5  41.3  ?    ?   1154.73  147.866      501.596    147.866      99.0724     -32.1341     
1 1 1 4  16 27 f 1 342.5  27.5  ?    ?   895.984  53.2925      408.133    53.2925      49.8892     -126.707     
1 1 1 4  16 28 o 0 41.8   9.7   ?    ?   305.081  -108.935     119.154    -108.935     29.3744     71.0654      
1 1 1 4  16 29 o 0 65.5   9.7   ?    ?   389.873  55.8149      166.259    55.8149      17.9145     -124.185     
1 1 1 4  16 30 o 0 355.8  28.4  ?    ?   829.623  -105.325     436.027    -105.325     32.8705     -105.325     
1 1 1 4  16 31 o 0 126.6  11.1  ?    ?   428.757  -107.376     347.397    -107.376     93.3157     -107.376     
1 1 1 4  16 32 o 0 2.6    5.1   ?    ?   39.9372  -150.984     5.6961     29.0162      29.4036     29.0162      
1 1 1 4  16 33 o 0 72.4   9.9   ?    ?   310.301  -27.6392     248.236    -27.6392     67.0855     -27.6392     
1 1 1 4  16 34 o 0 69.8   11.3  ?    ?   373.205  -109.701     205.489    -109.701     3.51572     70.2987      
1 1 1 4  16 35 o 0 183.8  15.2  ?    ?   530.241  34.0158      393.59     34.0158      110.633     34.0158      
1 1 1 4  16 36 o 0 13.2   6.5   ?    ?   218.161  39.3671      35.5918    39.3671      77.1209     -140.633     
1 1 1 4  16 37 f 1 6.1    7.2   ?    ?   123.106  -116.741     29.5985    -116.741     28.9885     63.2589      
1 1 1 4  16 38 o 0 57.1   12.2  ?    ?   431.05   -57.6127     150.723    -57.6127     31.9403     122.387      
1 1 1 4  17 0  o 0 971.9  89.4  ?    ?   930.621  180          941.151    180          310.106     180          
1 1 1 4  17 1  o 0 169.3  13.4  ?    ?   493.47   164.029      411.074    164.029      77.7402     164.029      
1 1 1 4  17 2  o 0 42.1   5     ?    ?   458.072  129.032      33.7081    129.032      274.377     -50.9682     
1 1 1 4  17 3  o 0 565.9  42.6  ?    ?   1026.17  122.846      717.185    122.846      30.2856     122.846      
1 1 1 4  17 4  o 0 61     5.1   ?    ?   272.577  -51.8388     198.153    -51.8388     16.629      -51.8388     
1 1 1 4  17 5  o 0 561.3  39    ?    ?   829.582  28.8755      824.33     28.8755      269.032     28.8755      
1 1 1 4  17 6  o 0 61.8   5.5   ?    ?   651.866  -63.6451     2.36065    116.355      436.193     116.355      
1 1 1 4  17 7  o 0 120.8  9.1   ?    ?   519.726  77.855       260.648    77.855       83.1584     -102.145     
1 1 1 4  17 8  o 0 23.8   2.9   ?    ?   242.015  9.06646      21.399     9.06646      137.69      -170.934     
1 1 1 4  17 9  o 0 641.2  44.8  ?    ?   645.367  86.4749      1010.94    86.4749      589.489     86.4749      
1 1 1 4  17 10 o 0 70     7.1   ?    ?   505.062  -154.635     103.762    -154.635     200.011     25.3646      
1 1 1 4  17 11 o 0 76     7.1   ?    ?   286.099  103.033      218.362    103.033      47.5102     103.033      
1 1 1 4  17 12 o 0 385.9  29.5  ?    ?   727.537  49.2024      573.935    49.2024      141.37      49.2024      
1 1 1 4  17 13 o 0 1212   91.2  ?    ?   1396.86  45.9592      965.477    45.9592      141.392     45.9592      
1 1 1 4  17 14 o 0 342.1  26.6  ?    ?   674.103  -123.757     534.752    -123.757     140.281     -123.757     
1 1 1 4  17 15 o 0 6.6    3.3   ?    ?   182.219  40.1006      65.8089    -139.899     171.536     -139.899     
1 1 1 4  17 16 f 1 9      3.7   ?    ?   282.42   -173.556     84.2307    6.44366      245.873     6.44366      
1 1 1 4  17 17 o 0 55.6   5.9   ?    ?   309.176  -150.295     138.472    -150.295     37.2884     29.7051      
1 1 1 4  17 18 o 0 41.8   5     ?    ?   258.953  -50.408      100.004    -50.408      45.7658     129.592      
1 1 1 4  17 19 o 0 45.6   5.5   ?    ?   353.084  -41.3676     87.0625    -41.3676     111.925     138.632      
1 1 1 4  17 20 o 0 41.7   4.9   ?    ?   315.833  66.773       91.0534    66.773       96.1534     -113.227     
1 1 1 4  17 21 o 0 46.7   5.4   ?    ?   212.444  -8.0975      146.005    -8.0975      20.2191     -8.0975      
1 1 1 4  17 22 o 0 683.3  51.9  ?    ?   924.749  -111.804     758.82     -111.804     217.773     -111.804     
1 1 1 4  17 23 o 0 30.2   5.1   ?    ?   164.511  -99.8189     90.4892    -99.8189     2.65377     80.1811      
1 1 1 4  17 24 o 0 169.4  18.6  ?    ?   549.049  -76.5053     311.177    -76.5053     4.36025     -76.5053     
1 1 1 4  17 25 o 0 2.8    6.5   ?    ?   280.506  -51.9969     80.7995    128.003      227.159     128.003      
1 1 1 4  17 26 o 0 193.2  21.5  ?    ?   639.515  24.2995      315.267    24.2995      13.665      -155.701     
1 1 1 4  17 27 o 0 19.9   7.7   ?    ?   447.65   103.238      37.9972    -76.7624     256.835     -76.7624     
1 1 1 4  17 28 o 0 11.4   5.8   ?    ?   254.61   -150.676     9.00589    29.3241      129.847     29.3241      
1 1 1 4  17 29 o 0 25.9   5.9   ?    ?   203.227  132.971      92.6218    132.971      6.65914     -47.0289     
1 1 1 4  17 30 o 0 9.2    5.3   ?    ?   208.28   -111.225     11.2994    68.7747      135.453     68.7747      
1 1 1 4  17 31 o 0 15.9   6.1   ?    ?   238.799  123.776      35.2276    123.776      107.451     -56.2241     
1 1 1 4  17 32 o 0 41.9   7.2   ?    ?   195.355  54.8488      196.339    54.8488      81.4774     54.8488      
1 1 1 4  17 33 o 0 6.9    5.5   ?    ?   83.6236  113.412      15.6481    113.412      31.5484     -66.588      
1 1 1 4  17 34 o 0 61.7   8.4   ?    ?   345.606  -101.268     200.533    -101.268     14.5455     -101.268     
1 1 1 4  17 35 o 0 125.4  12.6  ?    ?   521.238  -156.037     278.71     -156.037     6.95659     -156.037     
1 1 1 4  17 36 o 0 2.8    6.2   ?    ?   203.481  118.834      12.408     -61.1661     110.446     -61.1661     
1 1 1 4  17 37 o 0 9      7.3   ?    ?   113.354  -154.586     57.9018    -154.586     9.36338     -154.586     
1 1 1 4  18 1  o 0 699.6  45.6  ?    ?   1004.51  -70.3382     882.165    -70.3382     204.333     -70.3382     
1 1 1 4  18 2  o 0 44.3   5.1   ?    ?   339.386  -100.889     98.7389    -100.889     129.375     79.1106      
1 1 1 4  18 3  o 0 1163.4 95.3  ?    ?   1462.68  -120.879     1015.72    -120.879     36.9224     -120.879     
1 1 1 4  18 4  o 0 488    40.5  ?    ?   941.186  133.952      653.38     133.952      26.5886     133.952      
1 1 1 4  18 5  o 0 350    24.6  ?    ?   654.903  138.897      587.549    138.897      185.2       138.897      
1 1 1 4  18 6  o 0 45.3   4.5   ?    ?   287.383  14.8116      112.004    14.8116      63.575      -165.188     
1 1 1 4  18 7  o 0 58.2   5.2   ?    ?   379.398  -124.987     126.282    -124.987     104.15      55.0131      
1 1 1 4  18 8  f 1 2479.1 171   ?    ?   2200.35  23.0891      1294.31    23.0891      30.3977     -156.911     
1 1 1 4  18 9  o 0 269.8  18.1  ?    ?   865.637  129.425      331.951    129.425      188.733     -50.5747     
1 1 1 4  18 10 o 0 91     7.3   ?    ?   560.572  -135.766     135.426    -135.766     199.457     44.2338      
1 1 1 4  18 11 o 0 0.3    3.1   ?    ?   186.124  -148.775     95.4978    31.2245      205.892     31.2245      
1 1 1 4  18 12 o 0 147.9  13.2  ?    ?   469.127  27.2572      316.868    27.2572      40.7017     27.2572      
1 1 1 4  18 13 o 0 1175.2 96.6  ?    ?   1035.41  -161.007     1128.19    -161.007     523.449     -161.007     
1 1 1 4  18 14 o 0 227.4  18.2  ?    ?   730.826  -101.822     325.626    -101.822     96.8022     78.1776      
1 1 1 4  18 15 o 0 123    13.4  ?    ?   467.678  11.0952      256.789    11.0952      11.2076     -168.905     
1 1 1 4  18 16 f 1 5      4.3   ?    ?   101.727  -46.1806     37.8108    133.819      95.4289     133.819      
1 1 1 4  18 17 o 0 194.8  19.6  ?    ?   386.71   -161.989     433.275    -161.989     213.248     -161.989     
1 1 1 4  18 18 o 0 29.2   6.3   ?    ?   464.707  61.4708      31.2887    -118.529     293.067     -118.529     
1 1 1 4  18 19 o 0 18.3   3.5   ?    ?   175.661  39.8226      10.4155    39.8226      93.6961     -140.177     
1 1 1 4  18 20 o 0 365.5  26.3  ?    ?   714.645  43.5568      535.907    43.5568      112.65      43.5568      
1 1 1 4  18 21 o 0 205.2  15.6  ?    ?   812.726  23.9112      233.271    23.9112      242.562     -156.089     
1 1 1 4  18 22 o 0 124.9  10.4  ?    ?   724.978  -177.91      132.168    -177.91      278.759     2.09014      
1 1 1 4  18 23 o 0 64.4   7.8   ?    ?   464.38   -116.369     109.866    -116.369     150.045     63.6306      
1 1 1 4  18 24 o 0 8.5    6.8   ?    ?   163.385  123.621      17.6145    -56.3792     103.039     -56.3792     
1 1 1 4  18 25 o 0 111.3  14    ?    ?   342.783  -86.1527     295.56     -86.1527     118.8       -86.1527     
1 1 1 4  18 26 o 0 38.6   7.8   ?    ?   253.084  -24.9081     126.427    -24.9081     2.32343     -24.9081     
1 1 1 4  18 27 o 0 68.1   10    ?    ?   430.525  -119.833     157.829    -119.833     47.2437     60.167       
1 1 1 4  18 28 o 0 25     6.1   ?    ?   183.99   16.9192      93.0377    16.9192      2.77898     16.9192      
1 1 1 4  18 29 o 0 41.6   6.9   ?    ?   228.069  -136.574     181.789    -136.574     45.1915     -136.574     
1 1 1 4  18 30 o 0 138.8  12.9  ?    ?   478.917  50.4642      342.733    50.4642      55.055      50.4642      
1 1 1 4  18 31 o 0 16.6   5.4   ?    ?   233.734  31.5997      46.0073    31.5997      92.239      -148.4       
1 1 1 4  18 32 o 0 14.2   5.4   ?    ?   158.599  -177.99      60.9683    -177.99      29.1327     2.01042      
1 1 1 4  18 33 o 0 4.2    5.2   ?    ?   75.2903  -92.1653     4.33069    -92.1653     36.4792     87.8347      
1 1 1 4  18 34 o 0 1.3    5.5   ?    ?   126.633  117.066      8.67698    -62.9343     75.2176     -62.9343     
1 1 1 4  18 35 o 0 34.4   8.1   ?    ?   268.217  162.069      138.797    162.069      8.46816     162.069      
1 1 1 4  18 36 o 0 -1.7   6.5   ?    ?   39.9245  133.18       9.54551    133.18       7.70723     -46.8197     
1 1 1 4  19 0  o 0 108.1  11.6  ?    ?   933.466  180          285.123    180          293.481     -3.92465e-15 
1 1 1 4  19 1  o 0 763.1  53.1  ?    ?   1246.38  170.304      724.492    170.304      45.7207     -9.69633     
1 1 1 4  19 2  o 0 14.3   3.3   ?    ?   133.983  -52.7082     13.2039    127.292      95.7031     127.292      
1 1 1 4  19 3  o 0 58.1   6.4   ?    ?   531.845  -173.551     50.7327    -173.551     275.414     6.44858      
1 1 1 4  19 4  o 0 414.4  34.6  ?    ?   805.448  -174.711     583.557    -174.711     90.3618     -174.711     
1 1 1 4  19 5  o 0 526.2  37    ?    ?   1178.74  -72.0192     500.321    -72.0192     217.872     107.981      
1 1 1 4  19 6  o 0 122.7  9.5   ?    ?   566.505  135.866      216.817    135.866      126.501     -44.1338     
1 1 1 4  19 7  o 0 80.5   6.9   ?    ?   408.933  -89.2236     183.601    -89.2236     62.8042     90.7764      
1 1 1 4  19 8  o 0 263.1  19    ?    ?   643.316  118.878      444.782    118.878      59.5087     118.878      
1 1 1 4  19 9  o 0 511    33.5  ?    ?   985.627  -147.289     583.209    -147.289     3.26459     32.7111      
1 1 1 4  19 10 o 0 39.7   4.2   ?    ?   397.068  -26.8625     43.5833    -26.8625     191.075     153.137      
1 1 1 4  19 11 o 0 98.5   9.1   ?    ?   352.222  -87.1775     256.009    -87.1775     49.7899     -87.1775     
1 1 1 4  19 12 o 0 281.5  24.5  ?    ?   819.451  -54.2382     364.793    -54.2382     111.365     125.762      
1 1 1 4  19 13 o 0 72.3   9.1   ?    ?   265.248  -128.577     208.159    -128.577     55.251      -128.577     
1 1 1 4  19 14 o 0 52.5   6.6   ?    ?   587.95   119.543      0.629229   119.543      335.493     -60.4565     
1 1 1 4  19 15 o 0 46.2   6.5   ?    ?   333.066  120.761      98.793     120.761      92.1327     -59.2394     
1 1 1 4  19 16 o 0 140.1  14.7  ?    ?   362.377  -94.3227     338.088    -94.3227     132.26      -94.3227     
1 1 1 4  19 17 f 1 540.7  45.7  ?    ?   732.239  101.708      750.213    101.708      313.389     101.708      
1 1 1 4  19 18 o 0 31.4   6.2   ?    ?   38.1768  131.523      31.3838    131.523      8.54691     131.523      
1 1 1 4  19 19 o 0 56.1   5.7   ?    ?   249.923  -69.9821     172.223    -69.9821     24.3003     -69.9821     
1 1 1 4  19 20 o 0 76.4   7.6   ?    ?   367.647  -99.3679     197.212    -99.3679     13.6511     80.6321      
1 1 1 4  19 21 o 0 58     8.8   ?    ?   359.344  -47.3973     141.111    -47.3973     62.602      132.603      
1 1 1 4  19 22 o 0 68.9   10.3  ?    ?   591.424  -19.1547     77.0428    -19.1547     236.48      160.845      
1 1 1 4  19 23 o 0 100.5  9.9   ?    ?   367.457  163.022      266.443    163.022      74.1202     163.022      
1 1 1 4  19 24 o 0 14.4   4.5   ?    ?   330.498  138.583      16.7559    -41.4174     181.429     -41.4174     
1 1 1 4  19 25 o 0 -2.8   5     ?    ?   78.9543  132.602      27.4089    -47.3982     66.2038     -47.3982     
1 1 1 4  19 26 o 0 431.7  49.2  ?    ?   799.493  -142.221     547.325    -142.221     165.531     -142.221     
1 1 1 4  19 27 f 1 17.5   6.3   ?    ?   288.057  -123.219     17.8118    -123.219     123.57      56.7806      
1 1 1 4  19 28 f 1 46.3   7.3   ?    ?   98.6603  24.1823      213.648    24.1823      154.495     24.1823      
1 1 1 4  19 29 o 0 29.8   5.5   ?    ?   169.212  33.9479      152.419    33.9479      50.3482     33.9479      
1 1 1 4  19 30 o 0 6.1    6.1   ?    ?   131.253  -174.416     2.62802    -174.416     75.3763     5.58392      
1 1 1 4  19 31 o 0 134.8  11.5  ?    ?   540.938  -112.723     296.427    -112.723     12.5425     67.2769      
1 1 1 4  19 32 o 0 19.5   5.5   ?    ?   165.792  -141.6       101.972    -141.6       11.5677     -141.6       
1 1 1 4  19 33 o 0 13.1   5.4   ?    ?   166.344  156.275      58.1058    156.275      29.8814     -23.7246     
1 1 1 4  19 34 o 0 31     6.1   ?    ?   198.606  10.0519      158.727    10.0519      61.5216     10.0519      
1 1 1 4  20 0  o 0 324.1  35.5  ?    ?   766.015  -3.72459e-14 485.823    0            16.091      1.08729e-12  
1 1 1 4  20 1  o 0 100    8.4   ?    ?   312.134  64.9197      284.701    64.9197      93.8121     64.9197      
1 1 1 4  20 2  o 0 0.9    3.5   ?    ?   313.642  -169.615     160.952    10.3851      352.138     10.3851      
1 1 1 4  20 3  o 0 286.1  22.3  ?    ?   648.28   -32.5432     484.977    -32.5432     91.3006     -32.5432     
1 1 1 4  20 4  o 0 114.2  11.4  ?    ?   356.565  -66.2004     300.164    -66.2004     84.5598     -66.2004     
1 1 1 4  20 5  o 0 1742.1 130.3 ?    ?   1674.81  97.9403      1172.55    97.9403      164.628     97.9403      
1 1 1 4  20 6  f 1 20.6   4.3   ?    ?   331.172  -67.4099     25.3526    112.59       223.118     112.59       
1 1 1 4  20 7  o 0 149.3  12.7  ?    ?   409.341  118.579      352.713    118.579      109.004     118.579      
1 1 1 4  20 8  o 0 797    55.7  ?    ?   1057.13  -110.738     828.687    -110.738     204.414     -110.738     
1 1 1 4  20 9  o 0 376.9  26.8  ?    ?   889.016  35.099       466.686    35.099       54.964      -144.901     
1 1 1 4  20 10 o 0 178.9  12.6  ?    ?   826.703  79.5915      188.167    79.5915      293.641     -100.408     
1 1 1 4  20 11 o 0 50.4   4.6   ?    ?   319.842  57.2075      118.536    57.2075      66.5373     -122.793     
1 1 1 4  20 12 o 0 128.3  11.5  ?    ?   378.925  75.2901      311.326    75.2901      93.7198     75.2901      
1 1 1 4  20 13 o 0 142.6  13.5  ?    ?   430.431  -37.9733     317.084    -37.9733     69.0374     -37.9733     
1 1 1 4  20 14 o 0 102.7  10.5  ?    ?   513.32   -43.6377     182.751    -43.6377     110.588     136.362      
1 1 1 4  20 15 o 0 31.6   6.1   ?    ?   167.235  163.379      76.667     163.379      24.0464     -16.621      
1 1 1 4  20 16 o 0 20.9   5.5   ?    ?   27.8964  29.7107      10.0314    29.7107      6.78526     -150.289     
1 1 1 4  20 17 o 0 145.2  15.6  ?    ?   392.852  170.946      349.838    170.946      115.315     170.946      
1 1 1 4  20 18 o 0 137.2  13.3  ?    ?   470.068  -107.694     290.286    -107.694     12.5232     -107.694     
1 1 1 4  20 19 o 0 3.7    4.9   ?    ?   100.741  -56.1308     33.2789    123.869      90.9864     123.869      
1 1 1 4  20 20 o 0 30.8   6.6   ?    ?   337.444  -111.172     45.9047    -111.172     145.232     68.8279      
1 1 1 4  20 21 o 0 95.4   9.2   ?    ?   458.698  173.75       215.271    173.75       27.791      -6.24996     
1 1 1 4  20 22 o 0 74.4   7.7   ?    ?   315.419  91.2539      219.686    91.2539      54.5935     91.2539      
1 1 1 4  20 23 f 1 35     5.4   ?    ?   262.841  -123.26      112.62     -123.26      18.07       56.7402      
1 1 1 4  20 24 o 0 9.3    4.3   ?    ?   132.017  -84.4165     4.8623     95.5835      69.7937     95.5835      
1 1 1 4  20 25 o 0 59.1   10.9  ?    ?   349.297  -164.306     164.215    -164.306     2.83739     15.6935      
1 1 1 4  20 26 o 0 60     18.4  ?    ?   242.603  -98.8109     185.735    -98.8109     66.117      -98.8109     
1 1 1 4  20 27 o 0 61     10.3  ?    ?   336.115  105.492      206.889    105.492      0.258646    105.492      
1 1 1 4  20 28 o 0 15.3   5.6   ?    ?   221.595  154.3        39.7532    154.3        94.3283     -25.7004     
1 1 1 4  20 29 o 0 28.2   5.3   ?    ?   183.86   -0.296317    140.886    -0.296317    31.2179     -0.296317    
1 1 1 4  20 30 o 0 26.6   6.2   ?    ?   310.819  110.279      75.8416    110.279      102.441     -69.7213     
1 1 1 4  20 31 o 0 107.8  10.9  ?    ?   421.723  129.274      297.145    129.274      66.0744     129.274      
1 1 1 4  20 32 o 0 13.2   5.4   ?    ?   91.7669  35.7029      69.5411    35.7029      20.738      35.7029      
1 1 1 4  20 33 o 0 21.6   5.7   ?    ?   171.713  56.0266      121.963    56.0266      37.4121     56.0266      
1 1 1 4  20 34 o 0 24     6.4   ?    ?   175.914  -122.829     140.07     -122.829     62.9396     -122.829     
1 1 1 4  21 0  o 0 1078.7 114.8 ?    ?   1190.11  -2.08893e-14 864.677    0            147.067     1.01929e-13  
1 1 1 4  21 1  o 0 153    13    ?    ?   643.601  -22.3241     243.728    -22.3241     143.423     157.676      
1 1 1 4  21 2  o 0 0.4    4.1   ?    ?   158.514  96.4543      77.4711    -83.5457     172.541     -83.5457     
1 1 1 4  21 3  o 0 112.7  9     ?    ?   593.199  3.23212      177.188    3.23212      177.34      -176.768     
1 1 1 4  21 4  o 0 443.9  31.9  ?    ?   719.042  -130.67      656.109    -130.67      228.098     -130.67      
1 1 1 4  21 5  o 0 1211.8 100.1 ?    ?   1714.07  176.774      776.532    176.774      239.168     -3.22629     
1 1 1 4  21 6  f 1 245.2  19.9  ?    ?   733.976  7.93179      361.621    7.93179      70.0327     -172.068     
1 1 1 4  21 7  f 1 28     4.6   ?    ?   524.351  173.997      68.2038    -6.00283     374.905     -6.00283     
1 1 1 4  21 8  o 0 1010.8 65.9  ?    ?   1297.65  25.3088      862.964    25.3088      106.449     25.3088      
1 1 1 4  21 9  o 0 36.5   4.7   ?    ?   189.584  33.2108      88.5077    33.2108      21.3234     -146.789     
1 1 1 4  21 10 o 0 18.4   3.4   ?    ?   67.7958  86.4606      10.3865    86.4606      29.0762     -93.5394     
1 1 1 4  21 11 o 0 16.6   5.6   ?    ?   237.139  113.881      14.9854    -66.1188     152.037     -66.1188     
1 1 1 4  21 12 o 0 422.2  35.6  ?    ?   668.512  122.9        659.716    122.9        252.037     122.9        
1 1 1 4  21 13 o 0 600.2  50.2  ?    ?   826.236  -23.9794     767.546    -23.9794     267.697     -23.9794     
1 1 1 4  21 14 o 0 404    38.3  ?    ?   845.352  -55.3954     518.873    -55.3954     6.52322     -55.3954     
1 1 1 4  21 15 o 0 43.2   7     ?    ?   232.369  -99.9331     129.56     -99.9331     10.0266     80.0669      
1 1 1 4  21 16 o 0 95.8   13    ?    ?   338.213  9.57256      257.374    9.57256      56.0973     9.57256      
1 1 1 4  21 17 o 0 7.6    5.4   ?    ?   122.413  50.1335      25.299     -129.867     95.9846     -129.867     
1 1 1 4  21 18 o 0 85.8   11.7  ?    ?   310.264  -157.625     247.206    -157.625     69.8881     -157.625     
1 1 1 4  21 19 o 0 11.2   5.5   ?    ?   102.996  171.291      1.67233    171.291      53.4466     -8.70892     
1 1 1 4  21 20 o 0 12.2   5.6   ?    ?   232.542  112.759      13.4809    -67.2408     136.524     -67.2408     
1 1 1 4  21 21 o 0 88.8   9     ?    ?   456.678  -108.45      206.566    -108.45      23.8063     71.5503      
1 1 1 4  21 22 o 0 166.9  13.3  ?    ?   557.921  167.017      325.188    167.017      47.2181     167.017      
1 1 1 4  21 23 o 0 132.6  12.5  ?    ?   543.14   67.208       266.178    67.208       2.76856     67.208       
1 1 1 4  21 24 o 0 9.8    4.8   ?    ?   187.763  -104.017     3.69428    75.983       93.5281     75.983       
1 1 1 4  21 25 o 0 85.4   12.3  ?    ?   337.976  93.9791      290.04     93.9791      83.046      93.9791      
1 1 1 4  21 26 o 0 -0.6   5.2   ?    ?   160.938  118.3        49.7614    -61.7001     148.841     -61.7001     
1 1 1 4  21 27 o 0 59.5   9     ?    ?   184.284  -28.6585     272.637    -28.6585     160.913     -28.6585     
1 1 1 4  21 28 o 0 18.9   7.2   ?    ?   126.637  -145.667     90.7879    -145.667     15.063      -145.667     
1 1 1 4  21 29 o 0 2.5    4.7   ?    ?   139.861  -102.129     21.6046    77.8706      102.074     77.8706      
1 1 1 4  21 30 o 0 143.2  12    ?    ?   529.752  50.3632      325.465    50.3632      34.1454     50.3632      
1 1 1 4  21 31 o 0 38.5   6     ?    ?   338.86   71.8612      124.56     71.8612      56.4137     -108.139     
1 1 1 4  21 32 o 0 0.7    5.5   ?    ?   86.3794  -18.4559     3.14803    -18.4559     39.5904     161.544      
1 1 1 4  21 33 o 0 -4.3   5.7   ?    ?   110.432  -144.765     2.53874    35.235       51.2222     35.235       
1 1 1 4  22 0  o 0 116.7  15.3  ?    ?   208.459  180          262.135    180          138.376     -180         
1 1 1 4  22 1  o 0 41.2   6.1   ?    ?   350.859  -160.727     72.294     -160.727     135.568     19.2734      
1 1 1 4  22 2  o 0 14.2   5     ?    ?   30.1328  -112.88      1.9691     67.1197      19.773      67.1197      
1 1 1 4  22 3  f 1 207.3  16.1  ?    ?   402.099  162.618      469.624    162.618      233.427     162.618      
1 1 1 4  22 4  o 0 503.9  35.8  ?    ?   976.684  151.255      567.842    151.255      11.7805     -28.7447     
1 1 1 4  22 5  o 0 441.2  34.6  ?    ?   946.982  -38.5404     507.358    -38.5404     52.2198     141.46       
1 1 1 4  22 6  o 0 151.6  12.5  ?    ?   500.79   119.825      307.259    119.825      12.7569     119.825      
1 1 1 4  22 7  o 0 52.7   6.2   ?    ?   424.819  -62.0978     83.8691    -62.0978     164.64      117.902      
1 1 1 4  22 8  o 0 281.2  19.7  ?    ?   676.104  96.2782      436.972    96.2782      43.7342     96.2782      
1 1 1 4  22 9  o 0 453.4  35.6  ?    ?   694.257  -25.6943     690.306    -25.6943     263.642     -25.6943     
1 1 1 4  22 10 o 0 62.6   8.5   ?    ?   389.654  -93.105      139.566    -93.105      98.3124     86.895       
1 1 1 4  22 11 o 0 55.2   5.8   ?    ?   327.866  -78.3168     144.965    -78.3168     55.8284     101.683      
1 1 1 4  22 12 o 0 83.6   7.7   ?    ?   290.956  172.298      250.901    172.298      74.0526     172.298      
1 1 1 4  22 13 o 0 43.5   7.6   ?    ?   428.817  -174.346     49.4151    -174.346     209.149     5.65384      
1 1 1 4  22 14 o 0 123.8  13.6  ?    ?   620.129  125.695      191.289    125.695      172.019     -54.3054     
1 1 1 4  22 15 o 0 50.5   15.9  ?    ?   96.2849  -53.5623     145.514    -53.5623     89.606      -53.5623     
1 1 1 4  22 16 o 0 9.6    7.7   ?    ?   185.136  -136.994     26.0196    43.0058      132.512     43.0058      
1 1 1 4  22 17 o 0 52.2   7.6   ?    ?   185.688  -104.891     193.555    -104.891     93.4458     -104.891     
1 1 1 4  22 18 o 0 172.1  17.2  ?    ?   676.114  29.125       273.453    29.125       87.2895     -150.875     
1 1 1 4  22 19 o 0 3      5.4   ?    ?   244.68   64.7745      66.6833    -115.226     191.268     -115.226     
1 1 1 4  22 20 o 0 4.7    5.6   ?    ?   72.8702  -150.741     12.6523    29.2586      49.3343     29.2586      
1 1 1 4  22 21 o 0 24.6   6.8   ?    ?   386.279  -7.18199     22.7045    -7.18199     166.766     172.818      
1 1 1 4  22 22 o 0 62.2   6.8   ?    ?   312.494  -82.6099     193.718    -82.6099     42.3463     -82.6099     
1 1 1 4  22 23 o 0 6.7    4.4   ?    ?   43.2776  150.02       1.03308    -29.9801     22.6798     -29.9801     
1 1 1 4  22 24 o 0 21.4   4.9   ?    ?   130.259  19.1217      100.139    19.1217      20.3782     19.1217      
1 1 1 4  22 25 o 0 10     4.5   ?    ?   106.287  -79.6161     26.6768    -79.6161     38.7767     100.384      
1 1 1 4  22 26 o 0 27.4   5.3   ?    ?   245.642  82.8515      112.219    82.8515      37.1543     -97.1485     
1 1 1 4  22 27 o 0 16.5   6.1   ?    ?   121.718  18.7241      76.8198    18.7241      3.93705     18.7241      
1 1 1 4  22 28 o 0 10.8   9.3   ?    ?   116.406  -87.8304     45.6202    -87.8304     21.4816     92.1696      
1 1 1 4  22 29 o 0 9.9    6.1   ?    ?   138.856  121.056      36.1239    121.056      40.4237     -58.9442     
1 1 1 4  22 30 o 0 31.1   5.5   ?    ?   197.037  12.2307      157.882    12.2307      52.3311     12.2307      
1 1 1 4  22 31 o 0 42.8   7.1   ?    ?   269.256  -64.0277     179.953    -64.0277     46.2487     -64.0277     
1 1 1 4  22 32 o 0 1.8    5     ?    ?   57.299   -40.0621     14.7724    -40.0621     10.5942     139.938      
1 1 1 4  23 0  o 0 12.3   7.5   ?    ?   120.879  180          22.2608    180          53.6651     -7.49829e-14 
1 1 1 4  23 1  o 0 136.2  11.9  ?    ?   540.819  151.186      269.591    151.186      69.4828     -28.8143     
1 1 1 4  23 2  o 0 23.7   5.7   ?    ?   234.721  -94.8102     31.3383    -94.8102     115.465     85.1898      
1 1 1 4  23 3  f 1 137.7  14    ?    ?   460.031  -88.7335     316.062    -88.7335     29.9461     -88.7335     
1 1 1 4  23 4  o 0 332.2  26.8  ?    ?   473.661  -79.7318     658.473    -79.7318     364.175     -79.7318     
1 1 1 4  23 5  f 1 999    75.9  ?    ?   1045.82  63.7387      1029.86    63.7387      384.396     63.7387      
1 1 1 4  23 6  o 0 9.8    7.3   ?    ?   50.1414  -89.0731     7.60719    90.9269      38.8092     90.9269      
1 1 1 4  23 7  o 0 15.3   7.3   ?    ?   190.129  27.6963      7.41867    -152.304     125.127     -152.304     
1 1 1 4  23 8  o 0 159.7  12.5  ?    ?   573.554  -106.946     294.93     -106.946     58.1645     73.0539      
1 1 1 4  23 9  o 0 386.8  26.5  ?    ?   772.305  23.9924      549.172    23.9924      76.6137     23.9924      
1 1 1 4  23 10 o 0 10.5   4.1   ?    ?   14.8419  107.06       2.02619    -72.9398     11.0482     -72.9398     
1 1 1 4  23 11 o 0 4.1    3.4   ?    ?   32.3728  -1.63864     11.7594    178.361      30.9064     178.361      
1 1 1 4  23 12 o 0 204.4  17    ?    ?   583.059  -120.991     376.489    -120.991     34.2186     -120.991     
1 1 1 4  23 13 o 0 223    21.3  ?    ?   564.493  -56.395      414.457    -56.395      85.7232     -56.395      
1 1 1 4  23 14 o 0 82.4   18.3  ?    ?   369.32   94.1227      208.396    94.1227      4.86465     -85.8773     
1 1 1 4  23 15 o 0 26.9   7.4   ?    ?   219.804  24.8104      81.1081    24.8104      37.9662     -155.19      
1 1 1 4  23 16 o 0 27     6.8   ?    ?   340.128  90.2777      40.3665    90.2777      142.159     -89.7223     
1 1 1 4  23 17 o 0 77.9   10.7  ?    ?   420.005  -58.4391     195.599    -58.4391     19.7006     121.561      
1 1 1 4  23 18 o 0 19.1   6.7   ?    ?   155.067  -157.615     50.636     -157.615     28.0269     22.3846      
1 1 1 4  23 19 o 0 -4.4   6.3   ?    ?   12.14    -48.9345     3.62376    131.065      9.63052     131.065      
1 1 1 4  23 20 o 0 86.7   9.3   ?    ?   461.157  -7.18271     200.487    -7.18271     25.0801     172.817      
1 1 1 4  23 21 o 0 8.1    5.7   ?    ?   57.3571  -133.957     4.02236    -133.957     24.977      46.043       
1 1 1 4  23 22 o 0 159.8  14.8  ?    ?   388.129  -134.188     464.008    -134.188     223.524     -134.188     
1 1 1 4  23 23 o 0 4      6.3   ?    ?   116.727  -142.962     8.75945    37.0384      81.575      37.0384      
1 1 1 4  23 24 o 0 -1.1   4.5   ?    ?   105.538  45.3646      36.0724    -134.635     101.011     -134.635     
1 1 1 4  23 25 o 0 55.6   8     ?    ?   386.573  17.6351      159.519    17.6351      75.4775     -162.365     
1 1 1 4  23 26 o 0 69.3   7.9   ?    ?   431.141  61.5991      187.251    61.5992      65.3493     -118.401     
1 1 1 4  23 28 o 0 11.9   5.2   ?    ?   138.89   -14.1506     52.0092    -14.1506     24.6566     165.849      
1 1 1 4  23 29 o 0 20.2   7.4   ?    ?   149.773  -169.315     105.205    -169.315     24.8236     -169.315     
1 1 1 4  23 30 o 0 80.3   11.1  ?    ?   485.811  170.258      196.292    170.258      45.5335     -9.74177     
1 1 1 4  23 31 o 0 43.2   6.7   ?    ?   214.215  7.62371      214.798    7.62371      119.678     7.62371      
1 1 1 4  24 0  o 0 252.6  26.3  ?    ?   577.92   -1.1228e-14  427.63     0            67.1442     6.02811e-14  
1 1 1 4  24 1  o 0 210.1  16    ?    ?   509.509  -138.073     434.633    -138.073     117.322     -138.073     
1 1 1 4  24 2  o 0 10.4   5.9   ?    ?   124.157  137.456      21.0044    -42.5437     98.1568     -42.5437     
1 1 1 4  24 3  o 0 11.4   7.1   ?    ?   41.9427  167.177      3.97288    -12.8228     29.9637     -12.8228     
1 1 1 4  24 4  o 0 158.4  21    ?    ?   490.973  98.9109      335.897    98.9109      32.6764     98.9109      
1 1 1 4  24 5  o 0 410    36.1  ?    ?   711.537  -140.077     614.078    -140.077     176.358     -140.077     
1 1 1 4  24 6  o 0 100.4  12.4  ?    ?   382.296  -27.8802     265.968    -27.8802     36.5467     -27.8802     
1 1 1 4  24 7  o 0 34.8   8.5   ?    ?   209.184  -175.074     111.875    -175.074     13.0357     4.92615      
1 1 1 4  24 8  o 0 205.5  16.9  ?    ?   850.426  -58.2538     231.381    -58.2538     273.654     121.746      
1 1 1 4  24 9  o 0 247.8  19.2  ?    ?   616.47   170.891      435.239    170.891      71.3301     170.891      
1 1 1 4  24 10 o 0 43.7   6.5   ?    ?   279.591  99.9779      128.227    99.9779      35.7505     -80.0221     
1 1 1 4  24 11 o 0 93.4   9.6   ?    ?   350.954  91.9399      269.699    91.9399      76.2173     91.9399      
1 1 1 4  24 12 o 0 15.9   3.3   ?    ?   119.048  92.7586      29.8278    92.7586      35.3148     -87.2414     
1 1 1 4  24 13 o 0 377.2  27.7  ?    ?   773.126  40.5636      544.552    40.5636      124.857     40.5636      
1 1 1 4  24 14 o 0 147.4  17.7  ?    ?   740.812  -64.6833     191.238    -64.6833     207.528     115.317      
1 1 1 4  24 15 o 0 14.9   5.9   ?    ?   214.834  -163.26      18.1609    -163.26      92.4119     16.7399      
1 1 1 4  24 16 o 0 4.1    6.1   ?    ?   111.258  19.4667      21.0375    -160.533     77.7616     -160.533     
1 1 1 4  24 17 o 0 36.4   8.4   ?    ?   400.457  -153.683     69.1518    -153.683     130.188     26.3169      
1 1 1 4  24 18 o 0 164.8  16.1  ?    ?   664.571  -146.291     275.381    -146.291     51.9766     33.7089      
1 1 1 4  24 19 o 0 31.1   7     ?    ?   82.7158  -67.7333     112.521    -67.7333     70.3619     -67.7333     
1 1 1 4  24 20 o 0 18.7   6.5   ?    ?   147.376  -33.2912     77.3704    -33.2912     14.7777     146.709      
1 1 1 4  24 21 o 0 74     11    ?    ?   390.036  125.222      226.857    125.222      18.9324     -54.7783     
1 1 1 4  24 22 o 0 79.3   11.1  ?    ?   173.68   133          350.902    133          242.83      133          
1 1 1 4  24 23 o 0 14.8   7.3   ?    ?   67.7829  -124.133     53.7939    -124.133     12.0786     -124.133     
1 1 1 4  24 24 o 0 5.7    7.1   ?    ?   127.404  -128.597     12.1215    -128.597     63.5312     51.4027      
1 1 1 4  24 25 o 0 42.2   7.4   ?    ?   267.962  -54.6905     172.333    -54.6905     15.4886     -54.6905     
1 1 1 4  24 26 o 0 99.3   11    ?    ?   353.117  -149.517     316.96     -149.517     118.962     -149.517     
1 1 1 4  24 27 o 0 5      5.3   ?    ?   166.179  57.93        0.689644   -122.07      91.3907     -122.07      
1 1 1 4  24 28 o 0 -1.7   5.1   ?    ?   62.9225  156.457      4.03571    -23.5434     35.9267     -23.5434     
1 1 1 4  24 29 o 0 30.9   10.3  ?    ?   232.341  -29.9886     124.885    -29.9886     9.08868     -29.9886     
1 1 1 4  24 30 o 0 40.3   6.9   ?    ?   285.316  5.94691      175.149    5.94691      48.2293     5.94691      
1 1 1 4  25 0  f 1 552.5  52.9  ?    ?   487.533  180          618.269    180          326.367     -180         
1 1 1 4  25 1  o 0 101.3  11.2  ?    ?   255.341  -4.65579     325.388    -4.65579     172.319     -4.65579     
1 1 1 4  25 2  o 0 7.1    8.2   ?    ?   139.317  85.1881      24.7444    -94.8119     108.095     -94.8119     
1 1 1 4  25 3  o 0 133.6  16.6  ?    ?   322.465  60.8911      373.012    60.8911      180.585     60.8911      
1 1 1 4  25 4  o 0 15.9   6.1   ?    ?   67.1965  -33.7291     12.2857    -33.7291     27.6863     146.271      
1 1 1 4  25 5  o 0 208.8  18.8  ?    ?   547.898  -58.9175     406.32     -58.9175     81.6187     -58.9175     
1 1 1 4  25 6  o 0 15.2   5.9   ?    ?   139.473  119.889      11.099     119.889      71.2027     -60.1107     
1 1 1 4  25 7  o 0 9.6    8.5   ?    ?   70.9416  53.091       0.625967   53.091       38.8089     -126.909     
1 1 1 4  25 8  o 0 173.5  21.3  ?    ?   483.421  -154.826     382.873    -154.826     115.588     -154.826     
1 1 1 4  25 9  o 0 447.9  39.1  ?    ?   1135.49  -168.462     439.623    -168.462     184.506     11.5381      
1 1 1 4  25 10 o 0 34.3   5.7   ?    ?   324.794  96.5889      82.6863    96.5889      94.6998     -83.4111     
1 1 1 4  25 11 o 0 -0.1   4     ?    ?   129.267  5.1195       47.4646    -174.881     115.108     -174.881     
1 1 1 4  25 12 o 0 130.1  11.1  ?    ?   499.29   -2.40739     292.162    -2.40739     32.8254     -2.40739     
1 1 1 4  25 13 o 0 19.1   3.2   ?    ?   164.244  -170.495     56.9466    -170.495     27.6897     9.50507      
1 1 1 4  25 14 o 0 21.2   4     ?    ?   75.1547  -99.2204     49.0971    -99.2204     10.6947     -99.2204     
1 1 1 4  25 15 o 0 11.4   6.2   ?    ?   259.929  -165.815     11.0969    14.1845      140.905     14.1845      
1 1 1 4  25 16 o 0 15.6   6.3   ?    ?   203.194  -144.539     31.5043    -144.539     69.0146     35.4607      
1 1 1 4  25 17 o 0 18.5   6.8   ?    ?   187.313  154.545      56.2367    154.545      39.7407     -25.4547     
1 1 1 4  25 18 o 0 80.7   9.7   ?    ?   406.788  21.8252      247.389    21.8252      8.57556     -158.175     
1 1 1 4  25 19 o 0 -0.3   5.9   ?    ?   54.588   -131.957     12.0746    48.0432      46.7292     48.0432      
1 1 1 4  25 20 o 0 1.2    6     ?    ?   152.132  51.245       33.5       -128.755     128.966     -128.755     
1 1 1 4  25 21 o 0 14.6   7.5   ?    ?   102.088  119.059      62.8647    119.059      0.563325    -60.9408     
1 1 1 4  25 22 o 0 2.8    6.3   ?    ?   104.289  -170.461     8.14043    9.53924      72.1172     9.53924      
1 1 1 4  25 23 o 0 29     7.9   ?    ?   205.754  36.015       139.631    36.015       17.7815     36.015       
1 1 1 4  25 24 o 0 16.8   6.7   ?    ?   200.821  160.356      67.2266    160.356      46.8289     -19.6442     
1 1 1 4  25 25 o 0 73.9   12.1  ?    ?   298.013  77.8715      264.938    77.8715      98.1088     77.8715      
1 1 1 4  25 26 o 0 18     6.8   ?    ?   127.608  -105.986     100.042    -105.986     30.4688     -105.986     
1 1 1 4  25 27 o 0 8.4    11.8  ?    ?   118.085  178.502      55.5539    178.502      4.2632      -1.49772     
1 1 1 4  25 28 o 0 9.8    11.3  ?    ?   72.7225  131.884      70.0762    131.883      37.1573     131.883      
1 1 1 4  26 0  o 0 8.4    22.4  ?    ?   697.951  -1.8101e-14  76.8394    0            312.33      180          
1 1 1 4  26 1  o 0 294.7  25.3  ?    ?   865.55   17.7698      391.603    17.7698      90.4703     -162.23      
1 1 1 4  26 2  o 0 15.1   7.5   ?    ?   116.832  -21.7014     20.6386    -21.7014     44.3169     158.299      
1 1 1 4  26 3  o 0 22.1   6.2   ?    ?   125.688  -47.4931     62.2349    -47.4931     7.47798     132.507      
1 1 1 4  26 4  f 1 127.4  12.5  ?    ?   498.103  -59.345      282.74     -59.345      7.99795     -59.345      
1 1 1 4  26 5  o 0 26.2   6.4   ?    ?   250.427  115.646      70.9157    115.646      67.0776     -64.3544     
1 1 1 4  26 6  o 0 21.2   6.2   ?    ?   218.974  163.744      61.3656    163.744      54.5651     -16.2562     
1 1 1 4  26 7  o 0 62.1   8.7   ?    ?   145.281  4.44004      240.244    4.44003      163.689     4.44003      
1 1 1 4  26 8  o 0 116.3  14.7  ?    ?   397.884  131.567      308.028    131.567      99.4602     131.567      
1 1 1 4  26 9  o 0 39.2   7.6   ?    ?   128.723  6.09107      148.895    6.09107      81.8082     6.09107      
1 1 1 4  26 10 o 0 28.6   5.5   ?    ?   226.255  102.63       97.3825    102.63       19.7937     -77.3703     
1 1 1 4  26 11 o 0 7.5    4.3   ?    ?   49.9003  -96.5247     1.66593    83.4753      26.9769     83.4753      
1 1 1 4  26 12 o 0 1.5    3.9   ?    ?   235.095  107.515      75.4385    -72.4852     193.811     -72.4852     
1 1 1 4  26 13 o 0 270.7  21.2  ?    ?   643.217  -93.165      464.509    -93.165      143.186     -93.165      
1 1 1 4  26 14 o 0 56.4   5.9   ?    ?   427.296  165.516      125.017    165.516      96.4272     -14.484      
1 1 1 4  26 15 o 0 7.7    6.3   ?    ?   100.202  112.591      3.39967    112.591      60.4722     -67.4094     
1 1 1 4  26 16 o 0 8.9    6.8   ?    ?   52.8608  -22.0408     8.44485    -22.0408     24.9329     157.959      
1 1 1 4  26 17 o 0 59.3   9.2   ?    ?   314.033  -21.1236     221.875    -21.1236     21.6078     -21.1236     
1 1 1 4  26 18 o 0 11.5   6.1   ?    ?   31.6785  94.6585      17.0906    94.6585      2.89999     -85.3415     
1 1 1 4  26 19 o 0 -4.5   5.9   ?    ?   67.7997  -119.036     20.7836    60.9641      63.1899     60.9641      
1 1 1 4  26 20 o 0 0      7.1   ?    ?   190.233  -111.437     40.5319    68.5634      158.14      68.5634      
1 1 1 4  26 21 o 0 28.1   6.9   ?    ?   148.107  81.2969      159.046    81.2969      70.5565     81.2969      
1 1 1 4  26 22 o 0 107.1  13.4  ?    ?   400.569  83.2238      315.249    83.2238      85.4744     83.2238      
1 1 1 4  26 23 o 0 20.8   6.9   ?    ?   123.666  -67.6707     115.761    -67.6707     45.7624     -67.6707     
1 1 1 4  26 24 o 0 -2.6   7.6   ?    ?   67.9294  -17.9238     0.684571   -17.9238     36.8054     162.076      
1 1 1 4  26 25 o 0 12.6   9.3   ?    ?   127.313  -120.431     71.2012    -120.431     5.84432     -120.431     
1 1 1 4  26 26 o 0 16.7   9.5   ?    ?   205.506  -103.375     77.8399    -103.375     16.5425     76.6248      
1 1 1 4  26 27 o 0 16.1   10.8  ?    ?   134.829  -17.0223     92.6746    -17.0223     31.7155     -17.0223     
1 1 1 4  27 0  f 1 23.6   9.4   ?    ?   386.949  180          107.739    180          95.8339     -3.49894e-14 
1 1 1 4  27 1  o 0 49.5   10    ?    ?   354.637  -23.6047     137.367    -23.6047     49.5146     156.395      
1 1 1 4  27 2  o 0 1.3    7.5   ?    ?   178.934  -62.4995     42.0099    117.501      136.154     117.501      
1 1 1 4  27 3  o 0 21.3   8.1   ?    ?   174.399  -108.705     61.1306    -108.705     30.4263     71.2951      
1 1 1 4  27 4  o 0 55.5   8.4   ?    ?   175.504  63.366       216.103    63.366       124.223     63.366       
1 1 1 4  27 5  o 0 38     6.8   ?    ?   221.126  47.9707      149.534    47.9707      35.7633     47.9707      
1 1 1 4  27 6  o 0 8.3    5.6   ?    ?   148.668  -126.95      5.64077    53.05        81.8271     53.05        
1 1 1 4  27 7  o 0 4.7    5.3   ?    ?   233.487  -49.6265     49.2536    130.373      168.363     130.373      
1 1 1 4  27 8  o 0 8.7    8.8   ?    ?   211.651  -97.3856     7.15849    82.6144      114.578     82.6144      
1 1 1 4  27 9  o 0 103.6  17.3  ?    ?   230.267  25.5705      337.333    25.5705      221.126     25.5705      
1 1 1 4  27 10 o 0 19.6   6.2   ?    ?   227.469  23.6175      57.6699    23.6175      61.6817     -156.383     
1 1 1 4  27 11 o 0 0      5     ?    ?   168.601  -172.832     49.3491    7.16818      137.217     7.16818      
1 1 1 4  27 12 o 0 177.3  15.7  ?    ?   418.455  162.91       503.388    162.91       234.712     162.91       
1 1 1 4  27 13 o 0 2      2.9   ?    ?   139.761  11.983       54.8215    -168.017     143.857     -168.017     
1 1 1 4  27 14 o 0 13.6   2.9   ?    ?   128.949  -125.583     63.6873    -125.583     19.4151     54.4168      
1 1 1 4  27 15 o 0 14.2   3.4   ?    ?   151.491  26.9499      64.4708    26.9499      32.2925     -153.05      
1 1 1 4  27 16 o 0 51.2   9     ?    ?   321.82   -73.9224     184.393    -73.9224     19.6808     106.078      
1 1 1 4  27 17 o 0 232.4  20.8  ?    ?   528.882  115.532      516.635    115.532      184.592     115.532      
1 1 1 4  27 18 o 0 44.7   7.7   ?    ?   321.292  127.213      161.095    127.213      34.1655     -52.7866     
1 1 1 4  27 19 o 0 6.3    6.3   ?    ?   127.677  -53.0354     12.0461    -53.0354     64.6918     126.965      
1 1 1 4  27 20 o 0 33.9   7.5   ?    ?   254.123  112.099      147.116    112.099      0.315801    112.099      
1 1 1 4  27 21 o 0 31.8   8.8   ?    ?   218.317  -79.5803     147.924    -79.5803     23.3396     -79.5803     
1 1 1 4  27 22 o 0 71.4   9.8   ?    ?   281.468  -114.218     276.117    -114.218     119.33      -114.218     
1 1 1 4  27 23 o 0 14.8   6.8   ?    ?   135.124  -111.305     86.4908    -111.305     16.3993     -111.305     
1 1 1 4  27 24 o 0 12.5   7.2   ?    ?   180.539  -104.319     53.3357    -104.319     39.0167     75.6807      
1 1 1 4  27 25 o 0 14     9.5   ?    ?   236.966  -72.6794     48.6729    -72.6794     59.8327     107.321      
1 1 1 4  28 0  o 0 311.6  49.3  ?    ?   500.621  180          424.873    180          169.767     -180         
1 1 1 4  28 1  o 0 100.3  14.7  ?    ?   683.503  174.576      132.372    174.576      215.671     -5.42441     
1 1 1 4  28 2  o 0 21.1   6.6   ?    ?   147.908  175.846      75.3327    175.846      0.121028    175.846      
1 1 1 4  28 3  o 0 26.2   6.4   ?    ?   141.054  135.299      111.862    135.299      36.9751     135.299      
1 1 1 4  28 4  o 0 15.6   5.9   ?    ?   196.776  -42.2989     38.7331    -42.2989     65.4634     137.701      
1 1 1 4  28 5  o 0 12.9   6.8   ?    ?   316.778  28.8725      23.7911    -151.128     190.989     -151.128     
1 1 1 4  28 6  o 0 35.3   8.8   ?    ?   218.354  -55.9117     167.723    -55.9117     25.2441     -55.9117     
1 1 1 4  28 7  o 0 12.3   5.6   ?    ?   148.7    -15.296      30.6053    -15.296      65.9959     164.704      
1 1 1 4  28 8  o 0 335.9  26    ?    ?   607.207  -55.4938     686.281    -55.4938     293.779     -55.4938     
1 1 1 4  28 9  o 0 318.7  33.3  ?    ?   563.65   -166.876     663.47     -166.876     301.143     -166.876     
1 1 1 4  28 10 o 0 47.4   24.8  ?    ?   373.108  167.436      91.9402    167.436      151.236     -12.5637     
1 1 1 4  28 11 o 0 -4.5   5.7   ?    ?   94.1885  161.117      33.884     -18.8831     94.8638     -18.8831     
1 1 1 4  28 12 o 0 134.7  13    ?    ?   522.077  -146.451     329.24     -146.451     6.33091     33.5493      
1 1 1 4  28 13 f 1 120.4  11.9  ?    ?   214.621  41.8927      467.292    41.8927      330.463     41.8927      
1 1 1 4  28 14 o 0 44.3   5.2   ?    ?   393.955  24.0484      118.461    24.0484      131.261     -155.952     
1 1 1 4  28 15 f 1 28.6   3.8   ?    ?   91.4755  -174.528     172.56     -174.528     116.482     -174.528     
1 1 1 4  28 16 f 1 6.2    6.6   ?    ?   85.7223  127.833      16.6588    127.833      35.3997     -52.1675     
1 1 1 4  28 17 o 0 61.8   8.7   ?    ?   277.545  116.458      248.562    116.458      81.2551     116.458      
1 1 1 4  28 18 o 0 23.1   7.3   ?    ?   324.681  -17.7853     49.5333    -17.7853     138.792     162.215      
1 1 1 4  28 19 o 0 4.7    6     ?    ?   81.261   -144.75      9.74016    -144.75      36.8735     35.2497      
1 1 1 4  28 20 o 0 6.4    7     ?    ?   57.0943  37.7684      23.6399    37.7684      8.3649      -142.232     
1 1 1 4  28 21 o 0 15.6   7.3   ?    ?   118.783  19.3929      94.4175    19.3929      32.3427     19.3929      
1 1 1 4  28 22 o 0 24.7   7.8   ?    ?   202.908  -170.624     120.921    -170.624     16.232      -170.624     
1 1 1 4  28 23 f 1 5.4    7     ?    ?   61.9583  109.19       39.6367    109.19       11.063      109.19       
1 1 1 4  29 0  o 0 38.5   21.5  ?    ?   75.6047  -9.78102e-14 90.7994    0            40.8492     1.19602e-13  
1 1 1 4  29 1  o 0 1.7    8.2   ?    ?   156.411  89.2541      18.3771    -90.7459     121.657     -90.7459     
1 1 1 4  29 2  o 0 4.7    6     ?    ?   70.5071  92.3251      0.740373   -87.6749     47.2414     -87.6749     
1 1 1 4  29 3  o 0 59.9   8.3   ?    ?   220.81   58.6288      282.867    58.6288      137.505     58.6288      
1 1 1 4  29 4  o 0 22.6   6.6   ?    ?   161.24   -56.4894     121.964    -56.4894     16.0791     -56.4894     
1 1 1 4  29 5  o 0 167    16.2  ?    ?   655.391  -134.552     327.602    -134.552     101.462     45.4479      
1 1 1 4  29 6  o 0 17     6     ?    ?   144.344  13.6848      81.1565    13.6848      12.9931     -166.315     
1 1 1 4  29 7  o 0 66.7   10.3  ?    ?   262.821  -116.486     280.536    -116.486     109.84      -116.486     
1 1 1 4  29 8  o 0 94.2   13.9  ?    ?   412.527  27.3212      280.933    27.3212      13.7228     27.3212      
1 1 1 4  29 9  o 0 240.4  23    ?    ?   666.429  61.0071      455.653    61.0071      26.3257     61.0071      
1 1 1 4  29 10 o 0 87.1   17.4  ?    ?   423.721  -162.36      238.867    -162.36      32.4641     17.6401      
1 1 1 4  29 11 o 0 31     11.8  ?    ?   191.888  14.6833      140.776    14.6833      18.7068     14.6833      
1 1 1 4  29 12 o 0 34.8   6     ?    ?   195.354  -133.636     184.356    -133.636     63.6496     -133.636     
1 1 1 4  29 13 o 0 133.9  13    ?    ?   503.034  -166.78      336.169    -166.78      27.74       -166.78      
1 1 1 4  29 14 o 0 47.8   6.2   ?    ?   252.953  63.8162      212.642    63.8162      58.8255     63.8162      
1 1 1 4  29 15 o 0 6      2.7   ?    ?   5.82024  -42.5464     1.23644    -42.5464     2.17479     137.454      
1 1 1 4  29 16 o 0 24.8   6.9   ?    ?   211.58   155.297      120.197    155.297      2.64995     -24.7032     
1 1 1 4  29 17 o 0 31.1   8     ?    ?   246.8    -32.7648     138.406    -32.7648     1.86418     147.235      
1 1 1 4  29 18 o 0 21.5   6.8   ?    ?   165.381  -11.3746     115.663    -11.3746     22.6525     -11.3746     
1 1 1 4  29 19 o 0 6.7    7.1   ?    ?   84.9824  172.073      37.7024    172.073      6.90539     -7.92702     
1 1 1 4  29 20 o 0 12.8   7.6   ?    ?   144.463  -2.72411     81.3195    -2.72411     13.2472     -2.72411     
1 1 1 4  29 21 o 0 38.7   8.8   ?    ?   287.591  53.4961      167.771    53.4961      33.904      53.4961      
1 1 1 4  30 1  o 0 -2.1   7.7   ?    ?   73.3377  -10.0606     10.05      169.939      57.5291     169.939      
1 1 1 4  30 2  o 0 15.1   6.3   ?    ?   30.9583  -75.1687     32.3349    -75.1687     12.3129     -75.1687     
1 1 1 4  30 3  o 0 33     7.2   ?    ?   217.502  3.24193      160.924    3.24193      20.4928     3.24193      
1 1 1 4  30 4  o 0 18.4   6.1   ?    ?   271.808  116.043      41.9495    116.043      133.141     -63.9566     
1 1 1 4  30 5  o 0 15.8   6.1   ?    ?   115.193  118.969      77.108     118.969      3.12166     118.969      
1 1 1 4  30 6  o 0 20.8   6.3   ?    ?   129.959  92.3159      125.389    92.3159      44.0216     92.3159      
1 1 1 4  30 7  o 0 25.3   6.6   ?    ?   129.094  116.591      153.337    116.591      72.8458     116.591      
1 1 1 4  30 8  o 0 6.7    5.7   ?    ?   42.8837  -1.09591     11.6711    -1.09591     14.9405     178.904      
1 1 1 4  30 9  o 0 88.7   12.9  ?    ?   324.933  -14.4344     312.918    -14.4344     112.354     -14.4344     
1 1 1 4  30 10 o 0 11.7   15.2  ?    ?   97.2842  -62.5438     69.9351    -62.5438     11.8885     -62.5438     
1 1 1 4  30 12 o 0 9.6    5.4   ?    ?   120.969  137.463      38.9307    137.463      32.2743     -42.5369     
1 1 1 4  30 13 o 0 69     8.4   ?    ?   333.42   77.6766      254.042    77.6766      61.4832     77.6766      
1 1 1 4  30 14 o 0 3      3.3   ?    ?   36.9494  66.7678      1.29496    -113.232     22.4595     -113.232     
1 1 1 4  30 15 o 0 7.7    2.9   ?    ?   81.5729  -64.5476     32.0258    -64.5476     14.2899     115.452      
1 1 1 4  30 16 o 0 18.5   3.3   ?    ?   189.235  127.236      110.401    127.236      9.94702     127.236      
1 1 1 4  30 17 o 0 17.9   9.8   ?    ?   205.557  -54.9856     72.8048    -54.9856     35.2357     125.014      
1 1 1 4  30 18 o 0 17.7   10.3  ?    ?   147.543  26.1506      101.573    26.1506      31.8773     26.1506      
1 1 1 4  31 0  o 0 5.5    9.1   ?    ?   184.569  180          44.2051    180          66.9283     -1.09429e-13 
1 1 1 4  31 1  o 0 8.9    8.1   ?    ?   115.173  -134.325     39.9456    -134.325     29.389      45.6746      
1 1 1 4  31 2  o 0 18.6   8.8   ?    ?   107.369  -60.2233     101.151    -60.2233     36.5703     -60.2233     
1 1 1 4  31 3  o 0 82.7   10.3  ?    ?   400.535  -124.481     262.285    -124.481     21.7344     -124.481     
1 1 1 4  31 4  o 0 4.2    6     ?    ?   191.174  -13.9182     17.343     166.082      131.91      166.082      
1 1 1 4  31 5  o 0 107.6  12.6  ?    ?   459.042  69.5744      298.837    69.5744      24.5072     69.5744      
1 1 1 4  31 6  o 0 9.7    6.1   ?    ?   132.111  -88.7582     38.7891    -88.7582     39.8934     91.2418      
1 1 1 4  31 7  o 0 9.7    5.9   ?    ?   139.53   42.456       36.8971    42.456       45.8709     -137.544     
1 1 1 4  31 8  o 0 132    16.1  ?    ?   459.953  -84.2373     354.948    -84.2373     86.4427     -84.2373     
1 1 1 4  31 9  o 0 55.4   9.1   ?    ?   302.926  -120.68      219.484    -120.68      43.568      -120.68      
1 1 1 4  31 10 o 0 50.2   8.8   ?    ?   266.806  61.5879      216.791    61.5879      62.7499     61.5879      
1 1 1 4  31 11 o 0 13.8   9.1   ?    ?   91.0796  150.346      71.3808    150.346      19.132      150.346      
1 1 1 4  31 12 o 0 88.1   17.2  ?    ?   316.075  30.2056      303.673    30.2056      133.748     30.2056      
1 1 1 4  31 14 o 0 31.6   5.7   ?    ?   164.247  -156.947     201.996    -156.947     123.05      -156.947     
1 1 1 4  31 15 o 0 8.6    3.3   ?    ?   81.6463  -103.642     65.4835    -103.642     26.5816     -103.642     
1 1 1 4  31 16 o 0 12.3   3.1   ?    ?   77.4766  165.123      100.773    165.123      64.2006     165.123      
1 1 1 4  32 1  o 0 44.8   8.2   ?    ?   272.015  -10.0863     193.663    -10.0863     35.5306     -10.0863     
1 1 1 4  32 2  o 0 9.8    8.8   ?    ?   26.0637  22.604       22.2746    22.604       7.13342     22.604       
1 1 1 4  32 3  f 1 8.2    9.1   ?    ?   115.246  56.2565      43.5207    56.2565      23.166      -123.743     
1 1 1 4  32 4  o 0 30.4   7.2   ?    ?   215.425  -137.465     152.996    -137.465     28.2697     -137.465     
1 1 1 4  32 5  o 0 46.3   8.2   ?    ?   350.045  -130.822     170.265    -130.822     20.4947     49.1781      
1 1 1 4  32 6  o 0 19.8   7.8   ?    ?   94.3847  -10.8841     126.553    -10.8841     75.2854     -10.8841     
1 1 1 4  32 7  o 0 21.1   8.1   ?    ?   178.617  -49.6956     113.405    -49.6956     16.7612     -49.6956     
1 1 1 4  32 8  o 0 -2.2   6.6   ?    ?   144.948  38.1609      11.6269    -141.839     89.7005     -141.839     
1 1 1 4  32 9  o 0 11.9   6.1   ?    ?   139.649  173.498      66.6264    173.498      8.20868     -6.50245     
1 1 1 4  32 10 o 0 8.3    5.7   ?    ?   119.617  -163.526     59.0313    -163.526     1.14529     -163.526     
1 1 1 4  32 11 o 0 -8.3   10.6  ?    ?   78.7828  -134.691     23.3137    -134.691     14.5713     45.3085      
1 1 1 4  32 12 o 0 2.3    13    ?    ?   105.212  -73.6143     57.5923    -73.6143     7.34698     -73.6143     
1 1 1 4  33 0  o 0 1.3    9.4   ?    ?   39.8821  2.56712e-13  13.6379    0            5.75463     -180         
1 1 1 4  33 1  o 0 19     6.7   ?    ?   242.276  120.659      90.7367    120.659      27.0833     -59.3407     
1 1 1 4  33 2  o 0 5.8    6.3   ?    ?   30.4354  -42.6367     25.3056    -42.6367     10.5129     -42.6367     
1 1 1 4  33 3  o 0 20.3   8.8   ?    ?   136.063  93.6356      127.825    93.6356      61.7729     93.6356      
1 1 1 4  33 4  o 0 17.1   9.8   ?    ?   128.318  -141.916     106.742    -141.916     44.5659     -141.916     
1 1 1 4  33 5  f 1 14.3   6.7   ?    ?   205.535  -141.387     72.2957    -141.387     26.7906     38.6132      
1 1 1 4  33 6  o 0 12     8     ?    ?   142.679  116.607      77.059     116.607      8.31392     116.607      
1 1 1 5  0  1  o 0 6.5    0.8   ?    ?   189.811  90           26.956     90           123.221     -90          
1 1 1 5  0  2  o 0 212.7  19.6  ?    ?   458.12   180          495.653    180          141.038     180          
1 1 1 5  0  3  o 0 133.6  12.4  ?    ?   295.064  -90          377.171    -90          152.827     -90          
1 1 1 5  0  4  o 0 72.1   7.8   ?    ?   351.935  180          268.379    180          4.3856      180          
1 1 1 5  0  5  o 0 52.1   5.7   ?    ?   361.853  90           216.072    90           47.7274     -90          
1 1 1 5  0  7  o 0 1439.5 185.9 ?    ?   1920.42  -90          1176.38    -90          208.173     90           
1 1 1 5  0  8  o 0 129.9  14    ?    ?   396.512  -2.60678e-15 332.284    0            67.3189     1.02602e-14  
1 1 1 5  0  9  o 0 30.9   3.7   ?    ?   24.7979  -90          14.5257    -90          1.9995      90           
1 1 1 5  0  10 f 1 62.4   7     ?    ?   397.785  0            222.705    0            40.9935     180          
1 1 1 5  0  11 o 0 1230   112.6 ?    ?   1729.11  90           1012.99    90           132.914     -90          
1 1 1 5  0  12 o 0 309    28.6  ?    ?   732.013  180          540.226    180          27.3168     180          
1 1 1 5  0  13 o 0 -0.1   2.5   ?    ?   20.6526  90           0.337607   90           14.0767     -90          
1 1 1 5  0  14 o 0 48.4   5.1   ?    ?   310.944  7.97545e-15  188.227    0            27.7964     -180         
1 1 1 5  0  15 o 0 9.6    2.8   ?    ?   255.194  -90          46.9351    -90          138.562     90           
1 1 1 5  0  16 o 0 3.4    2.6   ?    ?   9.61102  180          0.497429   180          6.446       -1.14826e-14 
1 1 1 5  0  17 f 1 13.3   3.9   ?    ?   267.725  90           64.3344    90           127.253     -90          
1 1 1 5  0  18 o 0 5      4.3   ?    ?   32.0275  -180         2.40007    180          20.4011     9.67249e-14  
1 1 1 5  0  19 o 0 180.6  19.9  ?    ?   358.263  90           400.81     90           161.868     90           
1 1 1 5  0  21 o 0 9.1    5     ?    ?   91.2879  90           12.4819    90           47.5015     -90          
1 1 1 5  0  22 o 0 13.5   5.4   ?    ?   154.511  -1.60712e-15 34.2947    0            66.1228     180          
1 1 1 5  0  23 f 1 145.4  16.9  ?    ?   391.831  -90          344.919    -90          91.223      -90          
1 1 1 5  0  24 o 0 510.3  47.4  ?    ?   795.806  -3.56816e-15 593.447    0            120.378     1.40224e-14  
1 1 1 5  0  25 o 0 42.6   6.8   ?    ?   61.9143  90           46.441     90           10.0127     90           
1 1 1 5  0  26 o 0 52.5   8.1   ?    ?   401.136  -1.32375e-14 178.28     0            54.4249     180          
1 1 1 5  0  27 o 0 10.4   6.1   ?    ?   219.874  -90          28.2056    -90          97.1899     90           
1 1 1 5  0  28 o 0 22.5   13.5  ?    ?   58.2515  180          16.477     180          16.228      -1.15295e-14 
1 1 1 5  0  29 o 0 324.2  36.5  ?    ?   1197.66  90           437.635    90           231.469     -90          
1 1 1 5  0  30 o 0 6.1    11.1  ?    ?   54.5441  -180         6.60076    180          25.5751     3.04814e-14  
1 1 1 5  0  31 o 0 37     9.7   ?    ?   158.057  90           100.41     90           8.82651     90           
1 1 1 5  0  32 o 0 174.2  22.9  ?    ?   422.466  8.25928e-15  322.445    0            87.0136     -2.2347e-14  
1 1 1 5  0  33 o 0 122.4  15.7  ?    ?   224.804  -90          263.158    -90          146.848     -90          
1 1 1 5  0  34 o 0 18.9   9.6   ?    ?   282.657  4.11856e-17  74.6724    0            63.6073     -180         
1 1 1 5  0  35 o 0 22.3   9.1   ?    ?   219.242  90           78.8329    90           26.2099     -90          
1 1 1 5  0  36 o 0 18.7   9.3   ?    ?   46.9108  180          19.1071    180          2.58393     5.05496e-14  
1 1 1 5  0  37 o 0 -9.3   8.7   ?    ?   107.335  -90          7.25158    -90          55.7646     90           
1 1 1 5  0  38 o 0 25.6   11.2  ?    ?   179.034  180          106.872    180          2.08571     180          
1 1 1 5  0  39 o 0 1.6    11.9  ?    ?   84.8444  90           18.1788    90           30.4224     -90          
1 1 1 5  0  40 f 1 7.9    9.3   ?    ?   129.409  0            36.5823    0            32.0555     180          
1 1 1 5  0  41 o 0 30.1   12    ?    ?   282.308  90           117.62     90           27.1183     -90          
1 1 1 5  0  42 o 0 38.3   12.7  ?    ?   154.154  -1.40508e-14 132.318    0            59.6327     1.71263e-14  
1 1 1 5  0  43 o 0 72.3   12.2  ?    ?   318.324  -90          194.53     -90          61.7787     -90          
1 1 1 5  1  0  o 0 5.5    0.7   ?    ?   151.282  90           18.4785    90           101.504     -90          
1 1 1 5  1  1  f 1 281.2  18.2  ?    ?   548.113  -125.935     671.223    -125.935     248.161     -125.935     
1 1 1 5  1  2  o 0 1972.6 127.1 ?    ?   1872.67  -160.548     1500.25    -160.548     82.0344     -160.548     
1 1 1 5  1  3  o 0 2474   159.2 ?    ?   2078.39  78.984       1658.31    78.984       110.975     78.984       
1 1 1 5  1  5  o 0 95.6   8     ?    ?   251.494  -163.951     328.637    -163.951     148.68      -163.951     
1 1 1 5  1  6  o 0 602.5  45.1  ?    ?   975.119  134.453      814.947    134.453      120.869     134.453      
1 1 1 5  1  7  o 0 1386.6 113.3 ?    ?   1443.08  98.4551      1257.69    98.4551      233.861     98.4551      
1 1 1 5  1  8  o 0 53     4.6   ?    ?   404.567  69.1637      96.1189    69.1637      170.243     -110.836     
1 1 1 5  1  9  o 0 51.5   4.1   ?    ?   254.428  8.626        145.702    8.626        21.5379     -171.374     
1 1 1 5  1  10 o 0 905.7  62.7  ?    ?   1221.06  140.744      911.461    140.744      110.131     140.744      
1 1 1 5  1  11 o 0 2179.7 150.4 ?    ?   1604.74  87.3429      1680.81    87.3429      565.792     87.3429      
1 1 1 5  1  12 o 0 762.9  52.8  ?    ?   1188.32  -54.9745     833.528    -54.9745     9.87055     -54.9745     
1 1 1 5  1  13 o 0 44.1   3.6   ?    ?   374.582  -145.975     75.817     -145.975     183.006     34.0248      
1 1 1 5  1  14 o 0 458.2  29.8  ?    ?   847.779  -29.1316     682.134    -29.1316     98.6175     -29.1316     
1 1 1 5  1  15 o 0 305.6  20.1  ?    ?   499.908  -33.4442     724.907    -33.4442     364.663     -33.4442     
1 1 1 5  1  16 o 0 327.4  21.5  ?    ?   769.567  86.2429      583.768    86.2429      32.2583     86.2429      
1 1 1 5  1  17 o 0 16.7   2.8   ?    ?   94.1653  -136.123     0.542521   -136.123     66.5121     43.877       
1 1 1 5  1  18 o 0 89.3   9.1   ?    ?   286.772  -33.6282     310.913    -33.6282     108.176     -33.6282     
1 1 1 5  1  19 o 0 520.1  67.8  ?    ?   950.847  -124.161     682.177    -124.161     49.2106     -124.161     
1 1 1 5  1  20 o 0 872.6  71.5  ?    ?   1289.95  132.439      863.829    132.439      12.7624     132.439      
1 1 1 5  1  21 o 0 40.6   4.8   ?    ?   84.712   -36.502      78.7235    -36.502      23.3768     -36.502      
1 1 1 5  1  22 f 1 34.6   4.1   ?    ?   239.68   167.74       84.0408    167.74       70.5045     -12.2601     
1 1 1 5  1  23 o 0 887.8  72.9  ?    ?   1204.34  -70.3871     903.302    -70.3871     125.401     -70.3871     
1 1 1 5  1  24 o 0 55.8   5.4   ?    ?   192.251  -92.5419     161.483    -92.5419     47.7288     -92.5419     
1 1 1 5  1  25 f 1 279.6  20.3  ?    ?   856.757  70.9292      344.49     70.9292      156.122     -109.071     
1 1 1 5  1  26 o 0 9.3    4.6   ?    ?   211.424  -4.75728     59.9515    175.243      182.105     175.243      
1 1 1 5  1  27 o 0 51.3   7.2   ?    ?   266.065  107.482      135.381    107.482      15.7828     -72.5175     
1 1 1 5  1  28 o 0 1154.5 86.7  ?    ?   1274.57  -85.1128     940.971    -85.1128     227.898     -85.1128     
1 1 1 5  1  29 o 0 540.1  45.2  ?    ?   975.79   -107.181     567.939    -107.181     24.5868     -107.181     
1 1 1 5  1  30 o 0 86.3   9.7   ?    ?   203.167  -16.9015     275.161    -16.9015     155.68      -16.9015     
1 1 1 5  1  31 o 0 112.7  12.5  ?    ?   414.419  152.566      256.604    152.566      17.1622     152.566      
1 1 1 5  1  32 o 0 1139.7 79.7  ?    ?   1176.03  13.8147      968.539    13.8147      314.905     13.8147      
1 1 1 5  1  33 o 0 369.2  27.5  ?    ?   774.006  -45.5091     507.33     -45.5091     107.859     -45.5091     
1 1 1 5  1  34 o 0 126.2  11.1  ?    ?   722.188  -175.72      163.787    -175.72      188.712     4.27989      
1 1 1 5  1  35 o 0 43.5   7.3   ?    ?   146.078  -157.744     155.997    -157.744     86.1559     -157.744     
1 1 1 5  1  36 o 0 111.8  10.5  ?    ?   341.96   18.0818      294.252    18.0818      136.439     18.0818      
1 1 1 5  1  37 o 0 43     8     ?    ?   187.323  72.1893      196.512    72.1893      86.7311     72.1893      
1 1 1 5  1  38 o 0 97.4   11.6  ?    ?   347.614  14.1         301.266    14.1         98.1413     14.1         
1 1 1 5  1  39 o 0 17.4   9     ?    ?   102.118  12.8432      72.5098    12.8432      14.0997     12.8432      
1 1 1 5  1  40 o 0 9.2    7.1   ?    ?   18.2143  -161.609     10.2262    -161.609     0.553431    -161.609     
1 1 1 5  1  41 o 0 103.4  11.3  ?    ?   464.976  -112.276     251.232    -112.276     13.1253     -112.276     
1 1 1 5  1  42 o 0 27.6   8     ?    ?   258.763  -94.7091     106.106    -94.7091     15.7737     85.2909      
1 1 1 5  1  43 o 0 16.1   7.1   ?    ?   128.506  -50.1542     94.651     -50.1542     41.11       -50.1542     
1 1 1 5  2  0  o 0 2.1    0.5   ?    ?   127.291  90           5.69121    90           93.3519     -90          
1 1 1 5  2  1  o 0 487.5  31.4  ?    ?   945.869  -22.9124     730.086    -22.9124     11.2512     -22.9124     
1 1 1 5  2  2  o 0 88     5.8   ?    ?   282.127  176.409      306.802    176.409      96.7166     176.409      
1 1 1 5  2  3  o 0 1285.3 95.6  ?    ?   1512.33  105.277      1169.09    105.277      60.7851     105.277      
1 1 1 5  2  4  o 0 75.4   6.3   ?    ?   424.889  -41.1472     185.366    -41.1472     122.472     138.853      
1 1 1 5  2  5  o 0 98.9   8.2   ?    ?   369.574  103.502      288.9      103.502      28.1323     103.502      
1 1 1 5  2  6  o 0 733.1  60    ?    ?   1192.7   -69.6325     807.887    -69.6325     29.8177     110.367      
1 1 1 5  2  7  o 0 364    29.9  ?    ?   911.533  67.6836      510.18     67.6836      128.365     -112.316     
1 1 1 5  2  8  o 0 199.7  15.1  ?    ?   894.353  75.7839      203.046    75.7839      378.707     -104.216     
1 1 1 5  2  10 o 0 495.8  37.2  ?    ?   1129.53  81.2565      517.117    81.2565      216.089     -98.7435     
1 1 1 5  2  11 o 0 250.6  17.6  ?    ?   449.08   -48.9611     596.452    -48.9611     287.634     -48.9611     
1 1 1 5  2  14 o 0 340.5  22.2  ?    ?   722.509  116.564      581.231    116.564      88.2921     116.564      
1 1 1 5  2  15 o 0 326.9  21.4  ?    ?   871.302  -42.1768     512.131    -42.1768     110.539     137.823      
1 1 1 5  2  16 o 0 125    9.9   ?    ?   785.451  -129.188     127.647    -129.188     430.828     50.8115      
1 1 1 5  2  17 o 0 47.8   5.6   ?    ?   356.738  -66.8629     116.392    -66.8629     135.752     113.137      
1 1 1 5  2  18 o 0 41.7   4.7   ?    ?   322.362  -105.362     101.271    -105.362     125.024     74.6379      
1 1 1 5  2  19 o 0 679.8  51    ?    ?   1061.47  -36.446      815.071    -36.446      113.173     -36.446      
1 1 1 5  2  20 o 0 476    35.9  ?    ?   824.391  171.317      713.124    171.317      172.65      171.317      
1 1 1 5  2  21 o 0 88.8   7.1   ?    ?   398.21   100.514      236.548    100.514      22.0676     -79.4864     
1 1 1 5  2  22 o 0 63.6   5.5   ?    ?   320.597  159.491      181.239    159.491      27.0316     -20.509      
1 1 1 5  2  23 o 0 1316.4 91    ?    ?   1611.17  93.1499      1008.21    93.1499      26.8714     -86.8501     
1 1 1 5  2  24 o 0 163.1  12.4  ?    ?   534.352  -18.4946     317.441    -18.4946     2.87643     -18.4946     
1 1 1 5  2  25 o 0 919.9  75.5  ?    ?   1342.14  -95.6929     757.602    -95.6929     24.8529     84.3071      
1 1 1 5  2  26 f 1 169.3  12.8  ?    ?   423.049  125.996      375.639    125.996      132.96      125.996      
1 1 1 5  2  27 f 1 290.3  21.2  ?    ?   839.007  -123.227     359.821    -123.227     113.571     56.7726      
1 1 1 5  2  28 o 0 754.2  57.1  ?    ?   1084.07  -139.682     728.471    -139.682     124.469     -139.682     
1 1 1 5  2  29 o 0 25.1   6.4   ?    ?   250.717  132.788      31.1919    132.788      107.872     -47.2119     
1 1 1 5  2  30 o 0 19.1   7.5   ?    ?   84.5283  -87.3115     16.5522    -87.3115     32.975      92.6885      
1 1 1 5  2  31 o 0 127.8  11.7  ?    ?   455.136  167.34       270.452    167.34       8.40388     167.34       
1 1 1 5  2  32 o 0 49.1   8.1   ?    ?   476.678  -125.711     52.2364    -125.711     211.825     54.2891      
1 1 1 5  2  33 o 0 254.3  23.3  ?    ?   722.693  80.0791      374.755    80.0791      2.93217     80.0791      
1 1 1 5  2  34 o 0 70.6   9.4   ?    ?   457.826  140.746      149.9      140.746      72.9038     -39.2539     
1 1 1 5  2  35 o 0 23.7   6.7   ?    ?   151.249  61.8625      73.5784    61.8625      1.46617     61.8625      
1 1 1 5  2  36 o 0 16.8   6.5   ?    ?   232.879  84.7683      29.4174    84.7683      77.772      -95.2317     
1 1 1 5  2  37 o 0 12.1   7.1   ?    ?   355.295  -100.88      51.5433    79.1197      259.249     79.1197      
1 1 1 5  2  38 o 0 55.3   9.7   ?    ?   335.315  -77.6808     176.254    -77.6808     19.2269     102.319      
1 1 1 5  2  39 o 0 27     7.8   ?    ?   179.948  -177.711     131.377    -177.711     30.9075     -177.711     
1 1 1 5  2  40 o 0 12.9   8.4   ?    ?   122.974  -43.7342     56.0517    -43.7342     9.11993     136.266      
1 1 1 5  2  41 o 0 112.1  11    ?    ?   469.698  149.836      270.498    149.836      30.4384     149.836      
1 1 1 5  2  42 o 0 101.7  10.5  ?    ?   542.506  -167.429     217.727    -167.429     37.3379     12.5714      
1 1 1 5  2  43 o 0 41.4   8.5   ?    ?   243.724  47.198       178.599    47.198       77.225      47.198       
1 1 1 5  3  0  o 0 2.3    0.6   ?    ?   85.1376  -90          4.06392    -90          61.2225     90           
1 1 1 5  3  1  o 0 198.5  14.9  ?    ?   603.765  155.498      435.386    155.498      17.7022     -24.5018     
1 1 1 5  3  2  o 0 529.8  39.6  ?    ?   1055.56  -61.6691     688.181    -61.6691     89.2646     118.331      
1 1 1 5  3  3  o 0 1211.1 90.1  ?    ?   1622.49  -106.373     994.467    -106.373     160.848     73.6269      
1 1 1 5  3  5  o 0 179.8  14.8  ?    ?   466.018  -106.903     447.636    -106.903     121.748     -106.903     
1 1 1 5  3  6  o 0 1885.8 140.3 ?    ?   1858.71  -73.686      1318.28    -73.6861     24.356      -73.6861     
1 1 1 5  3  7  o 0 1295.7 96.6  ?    ?   1552.32  16.3561      1011.77    16.3561      9.481       16.3561      
1 1 1 5  3  8  o 0 69.3   5.4   ?    ?   301.949  109.995      197.737    109.995      3.07365     109.995      
1 1 1 5  3  9  o 0 39.2   3     ?    ?   204.64   -103.74      94.6553    -103.74      37.1413     76.2604      
1 1 1 5  3  10 o 0 602.2  41.8  ?    ?   1086.1   87.2618      667.654    87.2618      31.1711     -92.7382     
1 1 1 5  3  11 o 0 167.7  11.9  ?    ?   377.57   -158.468     456.595    -158.468     199.196     -158.468     
1 1 1 5  3  13 o 0 35     3     ?    ?   416.762  46.5597      9.35768    46.5597      273.592     -133.44      
1 1 1 5  3  14 o 0 212.9  15    ?    ?   361.769  -148.301     611.184    -148.301     353.635     -148.301     
1 1 1 5  3  15 o 0 24.4   2.7   ?    ?   151.19   178.689      37.7801    178.689      69.4294     -1.31126     
1 1 1 5  3  16 o 0 382.2  31.8  ?    ?   769.878  -75.3234     662.351    -75.3234     119.049     -75.3234     
1 1 1 5  3  17 o 0 10.2   3.1   ?    ?   298.465  83.7468      98.7716    -96.2532     308.204     -96.2532     
1 1 1 5  3  18 o 0 132.4  11.4  ?    ?   385.701  -141.571     392.149    -141.571     123.274     -141.571     
1 1 1 5  3  19 o 0 1010.1 75.5  ?    ?   1200.27  83.084       1047.72    83.084       259.351     83.084       
1 1 1 5  3  20 o 0 100.1  7.8   ?    ?   238.831  -50.1473     333.594    -50.1473     178.023     -50.1473     
1 1 1 5  3  21 o 0 43.9   4.5   ?    ?   339.683  -51.0728     97.3909    -51.0728     121.85      128.927      
1 1 1 5  3  22 o 0 230    17.8  ?    ?   765.866  109.565      347.879    109.565      146.699     -70.4349     
1 1 1 5  3  23 o 0 155.1  12.6  ?    ?   641.129  -154.505     264.863    -154.505     144.678     25.4946      
1 1 1 5  3  24 o 0 851.3  59.3  ?    ?   1160.39  -37.8474     815.113    -37.8474     135.75      -37.8474     
1 1 1 5  3  25 o 0 32.5   4.7   ?    ?   174.087  165.366      66.4451    165.366      34.5124     -14.6344     
1 1 1 5  3  26 o 0 68.7   7     ?    ?   344.242  168.318      166.373    168.318      30.6104     -11.6823     
1 1 1 5  3  27 f 1 17.6   5.3   ?    ?   425.482  45.7896      76.4128    -134.21      315.321     -134.21      
1 1 1 5  3  28 o 0 631.9  47.9  ?    ?   937.266  153.675      691.985    153.675      172.199     153.675      
1 1 1 5  3  29 o 0 737.3  61.4  ?    ?   1115.7   110.044      671.238    110.044      55.1519     110.044      
1 1 1 5  3  30 o 0 81.5   10.8  ?    ?   401.861  -22.8824     184.707    -22.8824     49.7484     157.118      
1 1 1 5  3  31 o 0 257.2  20    ?    ?   470.166  91.592       496.144    91.592       226.55      91.592       
1 1 1 5  3  32 o 0 300.3  22.4  ?    ?   443.635  -48.6188     571.061    -48.6188     326.268     -48.6188     
1 1 1 5  3  33 o 0 347.7  25.7  ?    ?   741.546  149.096      493.691    149.096      113.604     149.096      
1 1 1 5  3  34 o 0 24.6   7.2   ?    ?   192.61   4.64554      77.5588    4.64554      15.8384     -175.354     
1 1 1 5  3  35 o 0 108.7  11.3  ?    ?   337.402  26.1565      293.566    26.1565      135.479     26.1565      
1 1 1 5  3  36 o 0 133    12.7  ?    ?   518.53   -158.52      253.706    -158.52      4.84164     -158.52      
1 1 1 5  3  37 o 0 48.1   7.8   ?    ?   180.736  9.29064      227.186    9.29064      119.742     9.29064      
1 1 1 5  3  38 o 0 20.7   7.5   ?    ?   80.4257  10.2192      91.3951    10.2192      44.548      10.2192      
1 1 1 5  3  39 o 0 21.6   7.9   ?    ?   82.6834  -144.037     102.213    -144.037     56.1827     -144.037     
1 1 1 5  3  40 o 0 37.7   7.9   ?    ?   317.313  63.2667      121.391    63.2667      46.3064     -116.733     
1 1 1 5  3  41 o 0 202.5  19.3  ?    ?   597.428  89.6756      375.347    89.6756      70.8134     89.6756      
1 1 1 5  3  42 o 0 20.9   7     ?    ?   222.53   140.608      84.7825    140.608      19.5779     -39.3924     
1 1 1 5  4  0  o 0 7.6    1.1   ?    ?   167.773  -90          26.1763    -90          98.7899     90           
1 1 1 5  4  1  o 0 92.9   7     ?    ?   452.397  176.656      232.907    176.656      97.6155     -3.34366     
1 1 1 5  4  2  o 0 447.1  33.5  ?    ?   1010.02  -2.9681      585.509    -2.9681      140.026     177.032      
1 1 1 5  4  3  o 0 147.7  11.1  ?    ?   628.571  -150.97      274.45     -150.97      170.907     29.03        
1 1 1 5  4  6  o 0 2439.7 198.9 ?    ?   1853.18  112.32       1531.48    112.32       337.758     112.32       
1 1 1 5  4  7  f 1 819    61.2  ?    ?   1087.47  -97.7038     893.557    -97.7038     197.05      -97.7038     
1 1 1 5  4  8  o 0 115.6  8.2   ?    ?   533.643  -96.0764     223.399    -96.0764     118.583     83.9236      
1 1 1 5  4  9  o 0 178.1  11.7  ?    ?   555.365  139.077      357.309    139.077      1.9139      139.077      
1 1 1 5  4  10 o 0 160.4  10.6  ?    ?   570.836  -2.13231     328.492    -2.13231     58.5248     177.868      
1 1 1 5  4  11 o 0 1910.1 131.9 ?    ?   1278.65  -16.1748     1678.63    -16.1748     812.989     -16.1748     
1 1 1 5  4  12 o 0 140.5  10    ?    ?   359.885  -71.2034     395.501    -71.2035     152.318     -71.2035     
1 1 1 5  4  13 o 0 137.8  10.7  ?    ?   747.743  -139.602     161.542    -139.602     342.488     40.3978      
1 1 1 5  4  14 o 0 610.9  45.8  ?    ?   1049.29  -114.767     797.552    -114.767     55.8954     -114.767     
1 1 1 5  4  15 o 0 103.7  8.3   ?    ?   338.947  167.283      335.191    167.283      96.5522     167.283      
1 1 1 5  4  16 o 0 719    59    ?    ?   1223.53  53.5311      795.726    53.5311      61.6479     -126.469     
1 1 1 5  4  17 o 0 143.9  11.2  ?    ?   644.678  67.8429      267.957    67.8429      181.283     -112.157     
1 1 1 5  4  18 f 1 51.7   4.4   ?    ?   255.007  105.072      159.949    105.072      6.44767     -74.9276     
1 1 1 5  4  19 o 0 20.4   3.2   ?    ?   300.957  -128.938     14.5432    51.0615      210.907     51.0615      
1 1 1 5  4  20 o 0 486.5  36.7  ?    ?   635.99   -72.3524     832.435    -72.3524     420.844     -72.3524     
1 1 1 5  4  21 o 0 51.7   4.9   ?    ?   469.098  -162.219     67.3196    -162.219     233.539     17.7815      
1 1 1 5  4  22 o 0 166.2  11.5  ?    ?   375.621  -85.9045     437.734    -85.9045     196.657     -85.9045     
1 1 1 5  4  23 o 0 394.7  27.8  ?    ?   1194.54  -113.909     318.77     -113.909     384.613     66.0914      
1 1 1 5  4  24 o 0 227.4  15.6  ?    ?   656.417  33.2027      368.924    33.2027      13.1552     -146.797     
1 1 1 5  4  25 o 0 254.5  18.7  ?    ?   837.718  90.9874      309.254    90.9874      173.828     -89.0126     
1 1 1 5  4  26 f 1 21.7   4.9   ?    ?   137.548  -14.3142     18.3738    -14.3142     59.7034     165.686      
1 1 1 5  4  27 o 0 110.7  10.1  ?    ?   414.731  68.9671      247.75     68.9671      15.5129     68.9671      
1 1 1 5  4  28 o 0 593    41.8  ?    ?   1290.83  17.9186      454.406    17.9186      266.002     -162.081     
1 1 1 5  4  29 o 0 101.5  10.3  ?    ?   503.686  -116.671     188.733    -116.671     105.512     63.3285      
1 1 1 5  4  30 o 0 28.1   6.7   ?    ?   133.059  96.2722      63.564     96.2722      13.6926     -83.7278     
1 1 1 5  4  31 f 1 43.2   8.3   ?    ?   233.28   -138.69      134.681    -138.69      4.55566     -138.69      
1 1 1 5  4  32 o 0 455.8  36.2  ?    ?   922.258  101.063      509.982    101.063      3.38446     101.063      
1 1 1 5  4  33 o 0 233.1  18.2  ?    ?   673.922  -46.2044     365.872    -46.2044     21.953      -46.2044     
1 1 1 5  4  34 o 0 76.2   8.7   ?    ?   258.022  -45.069      243.068    -45.069      118.481     -45.069      
1 1 1 5  4  35 o 0 10.9   7.8   ?    ?   59.1846  97.0656      9.84765    97.0656      17.7694     -82.9344     
1 1 1 5  4  36 f 1 62.1   9     ?    ?   219.293  36.7335      212.44     36.7335      107.877     36.7335      
1 1 1 5  4  37 o 0 107.4  11.3  ?    ?   306.611  4.17445      354.866    4.17445      173.289     4.17445      
1 1 1 5  4  38 o 0 60.4   8.5   ?    ?   248.632  140.636      239.372    140.635      95.083      140.635      
1 1 1 5  4  39 o 0 27.7   7.5   ?    ?   160.808  10.4639      140.466    10.4639      51.2632     10.4639      
1 1 1 5  4  40 o 0 24.3   7.4   ?    ?   193.711  -70.8277     112.187    -70.8277     10.167      -70.8277     
1 1 1 5  4  41 o 0 213    18.8  ?    ?   566.975  -30.441      407.991    -30.441      119.948     -30.441      
1 1 1 5  4  42 o 0 11.3   6.6   ?    ?   166.475  50.2566      46.4002    50.2566      31.4192     -129.743     
1 1 1 5  5  0  o 0 2.7    0.8   ?    ?   7.87407  -90          0.41591    -90          5.40874     90           
1 1 1 5  5  2  o 0 2120.4 157.8 ?    ?   1616.76  72.0424      1685.08    72.0424      527.027     72.0424      
1 1 1 5  5  3  o 0 158.8  13.1  ?    ?   569.284  78.7731      339.371    78.7731      63.2423     -101.227     
1 1 1 5  5  4  o 0 95.1   8.8   ?    ?   268.508  -150.974     315.611    -150.974     127.613     -150.974     
1 1 1 5  5  6  o 0 1449.8 108   ?    ?   1600.34  145.143      1090.43    145.143      61.8415     145.143      
1 1 1 5  5  7  o 0 621    43.1  ?    ?   952.796  -28.6732     768.53     -28.6732     158.482     -28.6732     
1 1 1 5  5  8  o 0 86.5   6.7   ?    ?   190.623  -64.3362     267.642    -64.3362     145.926     -64.3362     
1 1 1 5  5  9  o 0 107.7  7.2   ?    ?   476.829  -11.3317     246.122    -11.3317     76.1753     168.668      
1 1 1 5  5  10 f 1 82.1   6     ?    ?   547.664  -68.7645     126.822    -68.7645     241.705     111.235      
1 1 1 5  5  11 o 0 387.8  27.1  ?    ?   946.723  84.3443      503.432    84.3443      134.013     -95.6557     
1 1 1 5  5  12 o 0 95.3   7.5   ?    ?   446.998  -138.021     224.07     -138.021     76.2188     41.9791      
1 1 1 5  5  14 o 0 36.5   3.3   ?    ?   253.616  -89.1035     96.4451    -89.1035     81.6798     90.8965      
1 1 1 5  5  15 o 0 475.4  39.2  ?    ?   935.824  -139.659     684.476    -139.659     29.8677     -139.659     
1 1 1 5  5  16 o 0 63.8   5.5   ?    ?   381.774  179.539      171.407    179.539      94.3626     -0.460553    
1 1 1 5  5  17 o 0 42.8   3.8   ?    ?   467.676  -87.4324     32.735     -87.4324     291.016     92.5676      
1 1 1 5  5  18 o 0 79.9   7     ?    ?   366.486  -73.011      224.424    -73.011      14.8616     106.989      
1 1 1 5  5  19 o 0 387.5  27.3  ?    ?   862.19   -82.7538     559.835    -82.7538     0.964659    -82.7538     
1 1 1 5  5  20 o 0 749.9  56.2  ?    ?   1039.29  118.766      883.433    118.766      215.2       118.766      
1 1 1 5  5  21 o 0 106.8  8.3   ?    ?   398.44   130.476      284.508    130.476      30.6008     130.476      
1 1 1 5  5  22 o 0 134.1  9.5   ?    ?   467.898  -79.885      313.196    -79.885      14.7864     -79.885      
1 1 1 5  5  23 o 0 1079.7 70    ?    ?   1230.05  -130.037     964.688    -130.037     244.879     -130.037     
1 1 1 5  5  24 f 1 818.7  56.9  ?    ?   837.015  60.6405      957.607    60.6405      473.135     60.6405      
1 1 1 5  5  25 o 0 72.5   7.9   ?    ?   217.529  -122.41      211.366    -122.41      86.672      -122.41      
1 1 1 5  5  26 o 0 0.4    5.6   ?    ?   147.564  -11.2195     62.6406    168.78       145.949     168.78       
1 1 1 5  5  27 o 0 395.7  30.4  ?    ?   718.659  -115.628     555.983    -115.628     155.851     -115.628     
1 1 1 5  5  28 o 0 297.4  21.9  ?    ?   727.819  -123.988     412.935    -123.988     9.00634     -123.988     
1 1 1 5  5  29 o 0 301.8  20.9  ?    ?   1020.03  19.7548      275.127    19.7548      317.512     -160.245     
1 1 1 5  5  30 o 0 26.4   6.4   ?    ?   182.111  141.408      57.5704    141.408      47.6037     -38.5925     
1 1 1 5  5  31 o 0 36.5   7.8   ?    ?   250.151  -52.6411     101.957    -52.6411     37.2125     127.359      
1 1 1 5  5  32 o 0 168.1  16.8  ?    ?   499.106  171.081      327.406    171.081      54.6364     171.081      
1 1 1 5  5  33 o 0 491.8  35.7  ?    ?   944.605  18.7624      550.889    18.7624      71.2181     18.7624      
1 1 1 5  5  34 o 0 27.6   7.4   ?    ?   206.295  -22.8863     88.8819    -22.8863     10.2484     157.114      
1 1 1 5  5  35 f 1 20.7   8.3   ?    ?   227.65   80.948       50.9368    80.948       54.5192     -99.052      
1 1 1 5  5  36 o 0 5      8.1   ?    ?   119.46   -53.2007     4.3273     126.799      74.8734     126.799      
1 1 1 5  5  37 o 0 361.6  26.7  ?    ?   625.753  -147.336     633.744    -147.336     264.827     -147.336     
1 1 1 5  5  38 o 0 17.6   6.9   ?    ?   173.743  -154.149     70.6371    -154.149     29.7526     25.8512      
1 1 1 5  5  39 o 0 11.4   7.1   ?    ?   158.948  1.73907      37.7272    1.73907      50.069      -178.261     
1 1 1 5  5  40 o 0 70.4   9.2   ?    ?   366.382  -78.2581     211.686    -78.2581     19.5243     -78.2581     
1 1 1 5  5  41 o 0 11.6   7.3   ?    ?   143.58   -111.222     47.4504    -111.222     25.1992     68.778       
1 1 1 5  5  42 o 0 -1.3   7.1   ?    ?   89.8105  -1.53821     17.4273    -1.53821     20.5526     178.462      
1 1 1 5  6  0  o 0 4.6    1     ?    ?   63.0189  90           5.90287    90           40.4822     -90          
1 1 1 5  6  1  o 0 225.2  18.5  ?    ?   569.297  -55.8479     501.198    -55.8479     88.3616     -55.8479     
1 1 1 5  6  2  o 0 2432.7 198.3 ?    ?   1849.88  -57.024      1580.05    -57.024      349.339     -57.024      
1 1 1 5  6  3  o 0 1288.5 96    ?    ?   1771.96  69.3922      882.077    69.3922      283.043     -110.608     
1 1 1 5  6  5  o 0 453.8  33.9  ?    ?   1437.44  38.6324      265.843    38.6324      663.046     -141.368     
1 1 1 5  6  6  o 0 875.3  60.5  ?    ?   1311.2   -73.6053     807.276    -73.6053     35.0169     106.395      
1 1 1 5  6  7  o 0 1562.6 116.5 ?    ?   1762.2   -170.204     1060.27    -170.204     66.6037     9.79592      
1 1 1 5  6  8  f 1 31.7   2.8   ?    ?   289.093  29.1999      45.7704    29.1999      149.143     -150.8       
1 1 1 5  6  9  o 0 42.6   3     ?    ?   220.721  -137.133     114.222    -137.133     34.5408     42.8675      
1 1 1 5  6  10 o 0 681.9  47.2  ?    ?   1276.51  -77.7237     661.92     -77.7237     196.17      102.276      
1 1 1 5  6  11 f 1 529.6  34.4  ?    ?   656.89   -155.998     879.74     -155.998     440.456     -155.998     
1 1 1 5  6  12 o 0 368.1  24    ?    ?   875.452  110.085      515.602    110.085      69.6908     -69.9148     
1 1 1 5  6  13 o 0 55.6   4.4   ?    ?   555.526  57.3057      38.8501    57.3057      350.572     -122.694     
1 1 1 5  6  14 o 0 261.5  24.4  ?    ?   1032.71  19.1525      269.217    19.1525      452.018     -160.847     
1 1 1 5  6  15 f 1 952.1  78    ?    ?   864.896  62.1326      1273.61    62.1326      673.738     62.1326      
1 1 1 5  6  16 o 0 175.5  16.7  ?    ?   639.789  -164.222     345.741    -164.222     96.9153     15.7779      
1 1 1 5  6  17 o 0 85.8   6.1   ?    ?   614.769  -124.4       107.981    -124.4       291.606     55.6003      
1 1 1 5  6  18 o 0 24.4   2.9   ?    ?   218.607  98.9747      32.5029    98.9747      109.319     -81.0253     
1 1 1 5  6  19 o 0 45.1   4.1   ?    ?   171.333  -39.4338     133.966    -39.4338     23.624      -39.4338     
1 1 1 5  6  20 o 0 457.4  34.5  ?    ?   575.451  93.3978      820.072    93.3978      452.465     93.3978      
1 1 1 5  6  21 o 0 58.2   5.3   ?    ?   315.938  122.471      160.149    122.471      42.0097     -57.5288     
1 1 1 5  6  22 o 0 156.5  11.7  ?    ?   640.145  100.805      266.615    100.805      139.02      -79.1953     
1 1 1 5  6  23 o 0 612.8  40    ?    ?   1057.84  97.6424      643.013    97.6424      27.9346     97.6424      
1 1 1 5  6  24 f 1 2459.4 169.8 ?    ?   1714.83  114.275      1494.73    114.275      508.462     114.275      
1 1 1 5  6  25 o 0 25.3   5.3   ?    ?   209.164  -44.4997     31.2462    -44.4997     87.9017     135.5        
1 1 1 5  6  26 o 0 59.9   7.6   ?    ?   468.136  -75.4282     84.1393    -75.4282     178.517     104.572      
1 1 1 5  6  27 o 0 488.3  37.5  ?    ?   1007.73  167.522      506.165    167.522      51.49       -12.4782     
1 1 1 5  6  28 o 0 446.6  29.9  ?    ?   1120.36  -75.093      387.927    -75.093      230.123     104.907      
1 1 1 5  6  29 o 0 142.5  11.5  ?    ?   510.983  95.2734      277.524    95.2734      20.6508     -84.7266     
1 1 1 5  6  30 o 0 58.2   7.8   ?    ?   320.078  93.1561      148.707    93.1561      35.0732     -86.8439     
1 1 1 5  6  31 o 0 243.5  19.2  ?    ?   631.499  71.6397      393.263    71.6397      43.9388     71.6397      
1 1 1 5  6  32 o 0 26.9   7.2   ?    ?   224.766  -127.914     76.0632    -127.914     39.5623     52.0861      
1 1 1 5  6  33 o 0 97.2   11.4  ?    ?   670.195  -136.528     108.769    -136.528     229.684     43.4718      
1 1 1 5  6  34 o 0 52.7   9     ?    ?   274.331  164.847      165.136    164.847      34.0247     164.847      
1 1 1 5  6  35 o 0 -2.6   8     ?    ?   84.4794  -38.2534     16.7887    141.747      55.8158     141.747      
1 1 1 5  6  36 o 0 106.9  14.3  ?    ?   216.674  -49.8986     393.052    -49.8986     265.762     -49.8986     
1 1 1 5  6  37 o 0 96.4   11.8  ?    ?   283.498  -118.744     332.536    -118.744     166.249     -118.744     
1 1 1 5  6  38 o 0 28.5   6.9   ?    ?   184.76   -58.9404     134.529    -58.9404     28.3068     -58.9404     
1 1 1 5  6  39 o 0 23.2   6.7   ?    ?   121.953  -127.992     123.77     -127.992     56.7388     -127.992     
1 1 1 5  6  40 o 0 9.7    6.4   ?    ?   89.1996  165.891      35.2439    165.891      11.3153     -14.109      
1 1 1 5  6  41 f 1 149.3  15.9  ?    ?   435.038  107.454      367.074    107.454      160.845     107.454      
1 1 1 5  6  42 o 0 51.9   9.9   ?    ?   295.963  78.5754      194.327    78.5754      69.7446     78.5754      
1 1 1 5  7  0  o 0 16.8   2.7   ?    ?   319.759  90           84.1883    90           133.79      -90          
1 1 1 5  7  1  o 0 56.4   4.8   ?    ?   400.585  153.914      114.109    153.914      155.438     -26.0862     
1 1 1 5  7  2  o 0 1048.2 78.2  ?    ?   1301.76  13.6688      999.362    13.6688      133.968     13.6688      
1 1 1 5  7  3  o 0 170.4  12.9  ?    ?   632.103  12.4381      304.711    12.4381      110.993     -167.562     
1 1 1 5  7  4  o 0 67.2   5.2   ?    ?   268.985  -68.3096     202.017    -68.3096     26.7498     -68.3096     
1 1 1 5  7  5  o 0 461.7  37.9  ?    ?   916.954  110.536      603.036    110.536      10.1605     110.536      
1 1 1 5  7  6  o 0 66.5   5.2   ?    ?   363.027  -31.9202     163.329    -31.9202     69.9117     148.08       
1 1 1 5  7  7  o 0 1380.8 102.9 ?    ?   1330.42  -137.29      1272.46    -137.29      370.363     -137.29      
1 1 1 5  7  8  f 1 49.7   4.1   ?    ?   465.331  70.2552      53.2322    70.2552      260.126     -109.745     
1 1 1 5  7  10 o 0 357.6  23.3  ?    ?   1039.19  67.9203      395.807    67.9203      300.829     -112.08      
1 1 1 5  7  11 o 0 453.3  29.5  ?    ?   658.228  167.932      774.075    167.932      334.292     167.932      
1 1 1 5  7  12 o 0 141.1  9.4   ?    ?   633.593  -124.947     269.267    -124.947     174.483     55.053       
1 1 1 5  7  13 o 0 1.3    1.9   ?    ?   98.9554  10.4044      61.1925    -169.596     130.238     -169.596     
1 1 1 5  7  14 o 0 208.5  22.7  ?    ?   633.36   -119.867     422.74     -119.867     17.3322     60.1329      
1 1 1 5  7  15 o 0 507.9  41.8  ?    ?   847.987  -5.44909     781.162    -5.44909     194.74      -5.44909     
1 1 1 5  7  16 o 0 230.4  16.5  ?    ?   635.532  58.8531      467.287    58.8531      30.126      58.8531      
1 1 1 5  7  17 o 0 4.6    2.2   ?    ?   273.654  79.7255      131.264    -100.274     308.88      -100.274     
1 1 1 5  7  18 o 0 47.5   4.2   ?    ?   384.064  119.788      93.3337    119.788      154.275     -60.2123     
1 1 1 5  7  19 o 0 811.3  52.7  ?    ?   1269.71  55.9671      800.458    55.9671      12.0531     -124.033     
1 1 1 5  7  20 o 0 178.8  14.1  ?    ?   564.673  53.1742      367.019    53.1742      8.63331     53.1742      
1 1 1 5  7  21 o 0 200.9  15.7  ?    ?   692.754  -107.8       330.224    -107.8       110.148     72.1998      
1 1 1 5  7  22 f 1 94.9   7.8   ?    ?   379.671  156.65       232.509    156.65       11.4444     156.65       
1 1 1 5  7  23 f 1 241.6  16.4  ?    ?   339.798  41.7261      545.373    41.7261      349.007     41.7261      
1 1 1 5  7  24 o 0 230.1  18    ?    ?   641.493  -165.103     373        -165.103     5.53498     -165.103     
1 1 1 5  7  25 o 0 22.6   5.2   ?    ?   103.737  175.404      19.5796    175.404      39.1253     -4.59613     
1 1 1 5  7  26 f 1 151.5  12.9  ?    ?   386.873  33.0745      347.896    33.0745      132.804     33.0745      
1 1 1 5  7  27 o 0 123.5  10.9  ?    ?   475.952  166.543      244.264    166.543      20.43       -13.4571     
1 1 1 5  7  28 o 0 1394.1 90.5  ?    ?   1325.55  30.2751      1098.87    30.2751      326.396     30.2751      
1 1 1 5  7  29 o 0 104    9.3   ?    ?   310.042  -50.9689     285.095    -50.9689     105.326     -50.9689     
1 1 1 5  7  30 o 0 122.1  10.6  ?    ?   395.675  -151.19      284.495    -151.19      58.7369     -151.19      
1 1 1 5  7  31 o 0 116.2  12.3  ?    ?   351.762  -12.3537     294.528    -12.3537     101.153     -12.3537     
1 1 1 5  7  32 o 0 39     7.7   ?    ?   335.279  17.6959      91.4901    17.6959      79.9292     -162.304     
1 1 1 5  7  33 o 0 53.4   9.6   ?    ?   343.152  -103.912     144.741    -103.912     21.4379     76.0878      
1 1 1 5  7  34 o 0 56.7   8.1   ?    ?   232.011  136.805      196.938    136.805      88.2428     136.805      
1 1 1 5  7  35 o 0 15.3   7.6   ?    ?   80.6113  -92.0913     26.7186    -92.0913     10.3027     87.9087      
1 1 1 5  7  36 o 0 15.8   6.9   ?    ?   184.934  -132.113     44.3863    -132.113     63.6282     47.8871      
1 1 1 5  7  37 o 0 126.7  13.7  ?    ?   458.582  121.617      313.588    121.617      46.1403     121.617      
1 1 1 5  7  38 o 0 18.2   6.7   ?    ?   172.38   68.9043      74.1877    68.9043      24.3601     -111.096     
1 1 1 5  7  39 o 0 15.5   6.8   ?    ?   27.9885  -133.665     32.8056    -133.665     17.929      -133.665     
1 1 1 5  7  40 o 0 23.5   6.7   ?    ?   155.757  127.779      125.049    127.779      45.1078     127.779      
1 1 1 5  7  41 o 0 32.2   7.5   ?    ?   246.149  -71.6348     135.308    -71.6348     18.9482     -71.6348     
1 1 1 5  7  42 o 0 38.3   9.2   ?    ?   292.08   -54.6484     146.219    -54.6484     23.9207     -54.6484     
1 1 1 5  8  0  o 0 3.3    1     ?    ?   218.496  90           12.6238    90           135.738     -90          
1 1 1 5  8  1  o 0 95     6.7   ?    ?   437.874  -40.8051     228.362    -40.8051     65.5952     139.195      
1 1 1 5  8  2  o 0 887.3  66.3  ?    ?   985.754  49.1937      1054.05    49.1937      399.396     49.1937      
1 1 1 5  8  3  o 0 191.3  17.8  ?    ?   415.207  -76.1909     471.806    -76.1909     198.778     -76.1909     
1 1 1 5  8  5  o 0 97.1   7.5   ?    ?   444.186  -107.205     236.262    -107.205     68.5266     72.7951      
1 1 1 5  8  6  o 0 55.2   5     ?    ?   614.274  64.0162      11.5925    -115.984     430.325     -115.984     
1 1 1 5  8  7  f 1 49     4.1   ?    ?   439.429  -137.01      64.3713    -137.01      232.719     42.9899      
1 1 1 5  8  10 o 0 402.4  26.2  ?    ?   850.456  -171.739     582.509    -171.739     13.7517     -171.739     
1 1 1 5  8  11 o 0 78.2   5.8   ?    ?   268.259  -17.7004     275.429    -17.7004     87.4747     -17.7004     
1 1 1 5  8  12 o 0 300.1  22.6  ?    ?   831.323  5.02724      478.124    5.02724      101.95      -174.973     
1 1 1 5  8  14 o 0 272.9  20.6  ?    ?   677.498  -19.3335     525.009    -19.3335     56.5256     -19.3335     
1 1 1 5  8  15 o 0 128.7  10.2  ?    ?   571.076  121.027      270.194    121.027      122.664     -58.9728     
1 1 1 5  8  16 o 0 428.8  30.1  ?    ?   747.709  -164.864     689.845    -164.864     204.358     -164.864     
1 1 1 5  8  17 o 0 55.8   4.9   ?    ?   331.16   -26.0017     151.006    -26.0017     62.6632     153.998      
1 1 1 5  8  18 o 0 375.9  26.5  ?    ?   951.548  -176.887     481.845    -176.887     127.842     3.11285      
1 1 1 5  8  19 f 1 2125.4 137.2 ?    ?   2097.82  -34.4261     1259.42    -34.4261     71.0291     145.574      
1 1 1 5  8  20 o 0 36.6   4.5   ?    ?   70.4603  56.1388      53.3435    56.1388      8.44334     56.1388      
1 1 1 5  8  21 o 0 67.5   6.6   ?    ?   185.772  -175.334     214.666    -175.334     97.3594     -175.334     
1 1 1 5  8  22 o 0 74.7   6.6   ?    ?   464.228  -59.6348     134.508    -59.6348     134.66      120.365      
1 1 1 5  8  23 o 0 101.5  9.3   ?    ?   288.606  12.9965      279.496    12.9965      113.422     12.9965      
1 1 1 5  8  24 o 0 724.3  54.5  ?    ?   919.525  -66.3293     805.949    -66.3293     282.824     -66.3293     
1 1 1 5  8  25 o 0 31.5   5.7   ?    ?   157.871  31.7699      63.0603    31.7699      25.4743     -148.23      
1 1 1 5  8  26 o 0 348.9  27    ?    ?   850.812  112.75       424.319    112.75       46.6753     -67.2501     
1 1 1 5  8  27 o 0 571.1  37.7  ?    ?   958.236  -5.66034     608.043    -5.66034     78.784      -5.66034     
1 1 1 5  8  28 o 0 228.5  17.8  ?    ?   425.516  -174.941     481.458    -174.941     235.179     -174.941     
1 1 1 5  8  29 o 0 84.9   8.5   ?    ?   315.692  -11.3968     231.258    -11.3968     49.4557     -11.3968     
1 1 1 5  8  30 o 0 103.9  9.4   ?    ?   346.72   -56.9647     271.779    -56.9647     79.2409     -56.9647     
1 1 1 5  8  31 o 0 62.3   7.6   ?    ?   339.315  -95.3223     158.441    -95.3223     26.8423     84.6777      
1 1 1 5  8  32 o 0 204.7  17    ?    ?   532.355  34.2009      385.642    34.2009      115.271     34.2009      
1 1 1 5  8  33 o 0 50.1   8.7   ?    ?   332.313  20.9437      137.577    20.9437      22.2931     -159.056     
1 1 1 5  8  34 o 0 66.1   10    ?    ?   333.058  -167.641     187.688    -167.641     32.6702     -167.641     
1 1 1 5  8  35 o 0 24.4   7.5   ?    ?   171.651  138.089      88.134     138.089      6.1941      138.089      
1 1 1 5  8  36 o 0 -0.8   6.8   ?    ?   100.777  -19.9731     18.8871    160.027      78.5498     160.027      
1 1 1 5  8  37 o 0 33.1   7.1   ?    ?   107.183  -41.2683     172.231    -41.2683     109.979     -41.2683     
1 1 1 5  8  38 o 0 125.3  13.9  ?    ?   400.447  159.857      336.696    159.857      114.138     159.857      
1 1 1 5  8  39 o 0 0.8    6.4   ?    ?   88.55    -146.974     3.39222    33.0264      50.1688     33.0264      
1 1 1 5  8  40 o 0 16.9   7.2   ?    ?   141.903  -179.45      82.7709    -179.45      10.3832     -179.45      
1 1 1 5  8  41 f 1 -2.4   6.5   ?    ?   43.4635  154.665      1.55133    154.665      18.8187     -25.3348     
1 1 1 5  9  0  o 0 5.8    1.3   ?    ?   32.9935  -90          3.79184    -90          19.8732     90           
1 1 1 5  9  1  o 0 239.9  16.8  ?    ?   1073.81  -174.589     183.298    -174.589     579.256     5.41064      
1 1 1 5  9  3  o 0 468.9  35.1  ?    ?   893.501  -79.5979     675.442    -79.5979     52.7066     -79.5979     
1 1 1 5  9  4  o 0 164.3  12.5  ?    ?   597.555  169.518      327.123    169.518      85.8974     -10.4824     
1 1 1 5  9  5  o 0 175.6  12.3  ?    ?   717.098  -87.1896     275.756    -87.1897     216.185     92.8103      
1 1 1 5  9  6  o 0 1636.6 133.6 ?    ?   1833.87  -155.406     1107.32    -155.406     142.341     24.5943      
1 1 1 5  9  7  o 0 391.3  27.2  ?    ?   804.958  48.1515      602.75     48.1515      57.5038     48.1515      
1 1 1 5  9  8  o 0 36.1   2.9   ?    ?   247.064  -120.615     79.0759    -120.615     87.3714     59.3851      
1 1 1 5  9  9  o 0 56.7   4.7   ?    ?   288.85   -129.459     184.825    -129.459     18.8512     50.5406      
1 1 1 5  9  10 o 0 414.9  28.9  ?    ?   974.18   162.258      575.343    162.258      108.329     -17.7421     
1 1 1 5  9  11 o 0 583.7  40.5  ?    ?   716.413  81.2684      978.247    81.2684      477.809     81.2684      
1 1 1 5  9  12 o 0 93.9   8.1   ?    ?   598.419  0.0283638    151.974    0.0283638    264.075     -179.972     
1 1 1 5  9  13 f 1 71.4   5.7   ?    ?   171.852  154.23       250.001    154.23       131.412     154.23       
1 1 1 5  9  14 o 0 12.7   2     ?    ?   385.801  -153.418     114.611    26.5819      380.135     26.5819      
1 1 1 5  9  15 o 0 19.1   2.3   ?    ?   504.26   -35.4517     118.421    144.548      444.499     144.548      
1 1 1 5  9  16 o 0 685.7  47.6  ?    ?   1100.4   -88.014      780.389    -88.014      69.8668     -88.014      
1 1 1 5  9  17 o 0 23.6   3.1   ?    ?   205.195  -176.984     29.5592    -176.984     102.054     3.01642      
1 1 1 5  9  18 o 0 140.1  11.4  ?    ?   367.534  -100.506     385.242    -100.506     151.21      -100.506     
1 1 1 5  9  19 o 0 660.7  46.1  ?    ?   1085.86  -168.156     741.406    -168.156     48.1233     -168.156     
1 1 1 5  9  20 o 0 438.1  30.9  ?    ?   919.562  -12.4467     571.093    -12.4467     10.9941     167.553      
1 1 1 5  9  21 o 0 2.8    3.6   ?    ?   372.421  49.4724      172.603    -130.528     389.197     -130.528     
1 1 1 5  9  22 o 0 13.5   3.8   ?    ?   228.518  25.759       36.3743    -154.241     168.356     -154.241     
1 1 1 5  9  23 o 0 1199.5 109.6 ?    ?   1538.95  -114.861     836.542    -114.861     42.7846     65.1388      
1 1 1 5  9  24 o 0 235.3  18.9  ?    ?   583.5    -11.8828     407.513    -11.8828     78.6315     -11.8828     
1 1 1 5  9  25 o 0 744.6  52    ?    ?   1328.8   45.234       588.065    45.234       151.784     -134.766     
1 1 1 5  9  26 o 0 179.1  13.2  ?    ?   472.538  -151.508     356.658    -151.508     93.9615     -151.508     
1 1 1 5  9  27 o 0 706.8  49.7  ?    ?   997.184  52.0151      752.454    52.0151      171.104     52.0151      
1 1 1 5  9  28 o 0 665.8  47.1  ?    ?   934.002  -91.9554     733.321    -91.9554     191.111     -91.9554     
1 1 1 5  9  29 o 0 363.2  26.8  ?    ?   705.531  -113.513     518.681    -113.513     115.313     -113.513     
1 1 1 5  9  30 o 0 108.8  9.9   ?    ?   475.076  74.9369      220.691    74.9369      41.2223     -105.063     
1 1 1 5  9  31 o 0 14.7   6     ?    ?   335.353  -117.154     30.3919    62.8458      202.486     62.8458      
1 1 1 5  9  32 f 1 28     7.6   ?    ?   105.78   -77.2548     85.5627    -77.2548     34.2345     -77.2548     
1 1 1 5  9  33 o 0 16.4   7.5   ?    ?   166.782  21.3526      30.4343    21.3526      49.2315     -158.647     
1 1 1 5  9  34 o 0 91     12.6  ?    ?   339.17   -69.7921     246.503    -69.7921     89.7544     -69.7921     
1 1 1 5  9  35 o 0 14.6   6.5   ?    ?   192.722  -139.303     34.8586    -139.303     78.5124     40.6973      
1 1 1 5  9  36 o 0 30.4   7.1   ?    ?   207.062  -118.459     136.38     -118.459     14.6479     -118.459     
1 1 1 5  9  37 o 0 128.2  11.5  ?    ?   455.802  45.2613      317.445    45.2613      54.5416     45.2613      
1 1 1 5  9  38 o 0 41.3   7.9   ?    ?   211.784  60.1728      182.915    60.1728      66.0157     60.1728      
1 1 1 5  9  39 o 0 10.2   7.6   ?    ?   124.182  30.5064      39.4428    30.5064      25.7116     -149.494     
1 1 1 5  9  40 o 0 24     8.3   ?    ?   202.963  123.558      107.984    123.558      10.9298     123.558      
1 1 1 5  9  41 o 0 108.5  11.9  ?    ?   480.01   -157.854     277.628    -157.854     74.1425     -157.854     
1 1 1 5  10 0  o 0 1.4    1.3   ?    ?   241.292  90           4.71041    90           167.527     -90          
1 1 1 5  10 1  o 0 100.4  7.8   ?    ?   582.26   126.365      170.213    126.365      241.784     -53.6346     
1 1 1 5  10 3  o 0 159.3  11.2  ?    ?   581.143  -76.0772     327.492    -76.0772     76.7952     103.923      
1 1 1 5  10 5  o 0 74.5   5     ?    ?   144.134  -53.66       227.559    -53.66       128.794     -53.66       
1 1 1 5  10 7  o 0 704.1  57.8  ?    ?   1186.17  76.0925      817.485    76.0925      26.5184     -103.908     
1 1 1 5  10 8  o 0 94.8   7.5   ?    ?   489.924  7.20764      225.214    7.20764      121.379     -172.792     
1 1 1 5  10 9  o 0 30.1   2.6   ?    ?   412.595  85.6743      4.69962    -94.3257     294.999     -94.3257     
1 1 1 5  10 10 o 0 688.5  51.4  ?    ?   992.633  25.1474      921.008    25.1474      226.265     25.1474      
1 1 1 5  10 11 o 0 189.8  15.9  ?    ?   642.912  -134.17      379.236    -134.17      68.404      45.8301      
1 1 1 5  10 12 o 0 155.7  11.9  ?    ?   724.129  167.603      245.351    167.603      256.192     -12.3974     
1 1 1 5  10 13 o 0 66.5   5.4   ?    ?   277.195  -75.092      224.345    -75.092      33.3963     -75.092      
1 1 1 5  10 14 o 0 180.3  12.9  ?    ?   727.845  121.969      281.325    121.969      191.906     -58.0307     
1 1 1 5  10 15 o 0 341.5  22.4  ?    ?   760.152  53.9413      551.964    53.9413      60.7222     53.9413      
1 1 1 5  10 16 o 0 230.4  15.4  ?    ?   695.859  114.405      398.051    114.405      48.72       -65.5954     
1 1 1 5  10 17 o 0 25.1   3.1   ?    ?   224.895  125.339      34.8837    125.339      108.498     -54.6608     
1 1 1 5  10 18 o 0 253.6  18.1  ?    ?   447.246  -18.5817     571.734    -18.5817     285.737     -18.5817     
1 1 1 5  10 19 o 0 290.3  20.8  ?    ?   1153.05  137.284      210.509    137.284      520.812     -42.7156     
1 1 1 5  10 20 o 0 405.8  26.7  ?    ?   835.981  31.0735      532.489    31.0735      45.1092     31.0735      
1 1 1 5  10 21 o 0 16.3   4     ?    ?   108.835  -36.1599     1.6127     143.84       64.6572     143.84       
1 1 1 5  10 22 o 0 75.5   7.8   ?    ?   251.738  130.367      216.09     130.367      71.743      130.367      
1 1 1 5  10 23 o 0 267    23.1  ?    ?   1034.76  -148.881     214.777    -148.881     372.135     31.119       
1 1 1 5  10 24 o 0 185.7  15.4  ?    ?   429.04   -51.5158     395.116    -51.5158     155.091     -51.5158     
1 1 1 5  10 25 o 0 205.9  15.8  ?    ?   471.515  -22.4617     406.075    -22.4617     145.519     -22.4617     
1 1 1 5  10 26 f 1 49.7   6.1   ?    ?   106.308  -44.879      116.535    -44.879      58.0341     -44.879      
1 1 1 5  10 27 o 0 53.1   6.4   ?    ?   342.963  65.5621      120.983    65.5621      77.437      -114.438     
1 1 1 5  10 28 f 1 466.7  33.4  ?    ?   997.864  -66.6707     487.514    -66.6707     85.8565     113.329      
1 1 1 5  10 29 o 0 222    17.8  ?    ?   570.736  -130.419     392.493    -130.419     75.2092     -130.419     
1 1 1 5  10 30 o 0 23.6   6.8   ?    ?   127.692  -175.887     53.4293    -175.887     16.4279     4.11279      
1 1 1 5  10 31 o 0 -0.3   5.8   ?    ?   80.423   -109.538     25.2849    70.4617      66.2393     70.4617      
1 1 1 5  10 32 o 0 86     11    ?    ?   531.608  -174.883     156.408    -174.883     100.231     5.11679      
1 1 1 5  10 33 o 0 176.6  17.5  ?    ?   535.62   133.438      338.637    133.438      88.2645     133.438      
1 1 1 5  10 34 o 0 50     8.3   ?    ?   212.318  9.774        178.447    9.774        76.5731     9.774        
1 1 1 5  10 35 o 0 7.6    6.2   ?    ?   84.0197  95.8415      11.9123    95.8415      38.1263     -84.1585     
1 1 1 5  10 36 o 0 34.5   6.8   ?    ?   265.193  -106.386     131.698    -106.386     23.3758     73.6135      
1 1 1 5  10 37 o 0 72.2   8.1   ?    ?   365.877  -18.8685     222.035    -18.8685     17.1333     -18.8685     
1 1 1 5  10 38 o 0 120.2  10.9  ?    ?   414.9    -52.4264     322.775    -52.4264     101.74      -52.4264     
1 1 1 5  10 39 o 0 3.1    7.1   ?    ?   23.4763  -74.7839     5.7343     -74.7839     6.35348     105.216      
1 1 1 5  10 40 o 0 31     7.6   ?    ?   319.165  -164.587     98.7841    -164.587     52.715      15.4133      
1 1 1 5  10 41 f 1 34.5   10.1  ?    ?   284.242  68.6047      125.965    68.6047      6.65524     68.6047      
1 1 1 5  11 0  o 0 1.4    1.6   ?    ?   94.5225  -90          1.93554    -90          65.1624     90           
1 1 1 5  11 1  o 0 157.7  12    ?    ?   200.08   -28.8822     504.242    -28.8822     363.306     -28.8822     
1 1 1 5  11 2  o 0 891.7  66.7  ?    ?   928.758  -148.087     1140.89    -148.087     491.739     -148.087     
1 1 1 5  11 3  o 0 101.7  7.9   ?    ?   796.01   -37.4941     52.0395    -37.4941     528.752     142.506      
1 1 1 5  11 4  o 0 57     4.6   ?    ?   354.004  121.742      163.488    121.742      92.9095     -58.2579     
1 1 1 5  11 5  o 0 85.8   6.2   ?    ?   405.535  -79.8168     247.868    -79.8168     43.7976     100.183      
1 1 1 5  11 6  o 0 272.9  19.1  ?    ?   587.459  122.856      601.314    122.856      181.608     122.856      
1 1 1 5  11 7  o 0 104.3  7.5   ?    ?   315.323  -135.068     350.897    -135.068     127.033     -135.068     
1 1 1 5  11 8  o 0 75.9   5.7   ?    ?   394.177  11.942       213.985    11.942       64.1812     -168.058     
1 1 1 5  11 9  o 0 24     2.6   ?    ?   151.557  -139.947     35.3202    -139.947     71.0132     40.0535      
1 1 1 5  11 10 o 0 27.9   3.4   ?    ?   194.367  7.37851      56.049     7.37851      79.548      -172.621     
1 1 1 5  11 11 o 0 227.2  18.9  ?    ?   229.398  -146.314     676.171    -146.314     517.038     -146.314     
1 1 1 5  11 12 o 0 140.5  11.8  ?    ?   439.477  32.0571      359.45     32.0571      73.0406     32.0571      
1 1 1 5  11 13 o 0 66.6   5.2   ?    ?   258.973  -39.5869     218.279    -39.5869     49.719      -39.5869     
1 1 1 5  11 14 o 0 169.9  11.4  ?    ?   589.309  75.9875      340.168    75.9875      41.0454     -104.012     
1 1 1 5  11 15 o 0 1383.6 89.4  ?    ?   1772.43  99.3013      975.122    99.3013      164.002     -80.6987     
1 1 1 5  11 16 o 0 34.9   3.3   ?    ?   462.19   -16.401      3.87749    163.599      298.876     163.599      
1 1 1 5  11 17 o 0 12.6   2.5   ?    ?   237.784  -19.4375     49.5621    160.563      201.817     160.563      
1 1 1 5  11 18 o 0 47     4.6   ?    ?   370.17   -102.333     91.7932    -102.333     143.364     77.6672      
1 1 1 5  11 19 o 0 53.2   5.2   ?    ?   538.858  92.7004      27.6936    92.7004      287.077     -87.2996     
1 1 1 5  11 20 o 0 1294.7 89.7  ?    ?   1232.55  107.153      1105.63    107.153      389.962     107.153      
1 1 1 5  11 21 o 0 189.9  18.2  ?    ?   564.127  -64.2984     343.825    -64.2984     19.4321     -64.2984     
1 1 1 5  11 22 o 0 12.3   4.8   ?    ?   206.103  -127.46      39.9222    52.5396      157.217     52.5396      
1 1 1 5  11 23 o 0 467.2  39.2  ?    ?   1035.85  12.0805      473.271    12.0805      108.51      -167.919     
1 1 1 5  11 24 o 0 810.5  56.7  ?    ?   898.347  -46.6262     875.952    -46.6262     377.281     -46.6262     
1 1 1 5  11 25 o 0 377.3  25.5  ?    ?   773.802  156.921      493.944    156.921      64.8232     156.921      
1 1 1 5  11 26 o 0 48.7   6.3   ?    ?   338.69   14.3792      107.4      14.3792      89.6886     -165.621     
1 1 1 5  11 27 o 0 78.4   7.7   ?    ?   273.128  128.352      231.126    128.352      72.7595     128.352      
1 1 1 5  11 28 o 0 251.3  19    ?    ?   512.835  -155.146     472.74     -155.146     185.592     -155.146     
1 1 1 5  11 29 o 0 147    12.4  ?    ?   528.948  -126.86      276.105    -126.86      15.5591     53.1405      
1 1 1 5  11 30 o 0 24.8   6.7   ?    ?   187.675  -95.7743     72.1425    -95.7743     24.2542     84.2257      
1 1 1 5  11 31 o 0 48.2   7.3   ?    ?   141.747  54.773       176.097    54.773       107.025     54.773       
1 1 1 5  11 32 o 0 412.5  32.4  ?    ?   854.893  15.5994      507.521    15.5994      98.1826     15.5994      
1 1 1 5  11 33 o 0 106.3  13.3  ?    ?   576.65   -164.712     183.016    -164.712     84.3358     15.2884      
1 1 1 5  11 34 o 0 -2.7   7.4   ?    ?   152.892  -136.45      42.1967    43.5496      132.496     43.5496      
1 1 1 5  11 35 o 0 15.9   6.9   ?    ?   173.055  -41.0676     57.4144    -41.0676     44.8123     138.932      
1 1 1 5  11 36 o 0 66.8   7.7   ?    ?   324.494  -59.5046     224.209    -59.5046     35.996      -59.5046     
1 1 1 5  11 37 o 0 208.7  18.2  ?    ?   468.833  -127.945     466.785    -127.945     206.344     -127.945     
1 1 1 5  11 38 o 0 26.5   6.8   ?    ?   184.846  102.321      128.837    102.321      31.1535     102.321      
1 1 1 5  11 39 o 0 2.5    6.7   ?    ?   108.912  165.102      5.80647    165.102      49.8225     -14.8976     
1 1 1 5  11 40 o 0 35.3   8.4   ?    ?   205.708  -40.6703     173.382    -40.6703     85.4042     -40.6703     
1 1 1 5  12 0  f 1 55.3   6.5   ?    ?   690.534  -90          247.11     -90          263.912     90           
1 1 1 5  12 1  f 1 257.3  18    ?    ?   968.116  -49.4769     326.592    -49.4769     384.972     130.523      
1 1 1 5  12 3  o 0 718.9  53.7  ?    ?   1034.7   112.49       962.359    112.49       210.485     112.49       
1 1 1 5  12 4  o 0 31     2.6   ?    ?   361.752  7.56576      26.6824    7.56576      234.382     -172.434     
1 1 1 5  12 6  o 0 95.3   7.5   ?    ?   541.2    -76.9759     196.821    -76.9759     188.598     103.024      
1 1 1 5  12 7  o 0 88     6.6   ?    ?   276.344  46.0934      310.802    46.0934      115.244     46.0934      
1 1 1 5  12 8  o 0 131.8  11.2  ?    ?   529.871  108.172      310.037    108.172      62.6265     -71.828      
1 1 1 5  12 10 o 0 631.2  57.9  ?    ?   1054.26  -157.896     802.743    -157.896     70.1497     -157.896     
1 1 1 5  12 11 o 0 1638.6 149.9 ?    ?   1512.88  -123.21      1305.73    -123.21      313.789     -123.21      
1 1 1 5  12 12 o 0 256.9  21.5  ?    ?   715.373  34.4642      440.048    34.4642      26.1312     -145.536     
1 1 1 5  12 13 o 0 126.8  9.3   ?    ?   580.578  74.3097      242.492    74.3097      133.468     -105.69      
1 1 1 5  12 14 o 0 141.9  9.7   ?    ?   567.262  77.0477      286.425    77.0477      78.5099     -102.952     
1 1 1 5  12 15 o 0 148.9  10.2  ?    ?   807.246  -100.216     158.973    -100.216     356.785     79.7843      
1 1 1 5  12 16 f 1 511.7  33.4  ?    ?   1188.14  -50.7734     509.166    -50.7734     250.501     129.227      
1 1 1 5  12 17 o 0 6.3    2.4   ?    ?   119.851  -46.0954     47.9621    133.905      124.199     133.905      
1 1 1 5  12 18 o 0 389.8  27.5  ?    ?   832.794  63.301       515.052    63.301       27.8246     63.301       
1 1 1 5  12 19 o 0 452.1  31.9  ?    ?   652.645  7.17246      686.377    7.17246      307.872     7.17246      
1 1 1 5  12 20 o 0 1112.4 77    ?    ?   1566.54  -137.045     776.746    -137.045     126.099     42.9554      
1 1 1 5  12 21 o 0 58.2   8.6   ?    ?   127.095  119.441      144.144    119.441      71.6186     119.441      
1 1 1 5  12 22 o 0 96.3   10    ?    ?   148.058  -171.657     268.927    -171.657     185.507     -171.657     
1 1 1 5  12 23 f 1 83     8.6   ?    ?   311.51   -18.6852     218.401    -18.6852     45.2898     -18.6852     
1 1 1 5  12 24 o 0 278.7  20.6  ?    ?   611.498  -69.1904     448.408    -69.1904     107.852     -69.1904     
1 1 1 5  12 25 o 0 24.3   5.1   ?    ?   69.0364  -155.758     26.1637    -155.758     14.2041     24.2421      
1 1 1 5  12 26 o 0 113.6  9.5   ?    ?   375.729  -111.106     280.727    -111.106     61.68       -111.106     
1 1 1 5  12 27 o 0 165.6  12.6  ?    ?   555.473  -102.296     296.491    -102.296     22.8575     77.7043      
1 1 1 5  12 28 o 0 352.1  24.3  ?    ?   851.442  93.9553      432.021    93.9553      40.6496     -86.0447     
1 1 1 5  12 29 o 0 100.5  9.7   ?    ?   443.903  40.4185      229.416    40.4185      0.289363    -139.581     
1 1 1 5  12 30 o 0 0.9    6.4   ?    ?   38.4514  -175.223     10.448     4.77708      30.0275     4.77708      
1 1 1 5  12 31 o 0 114.5  12.6  ?    ?   289.021  -38.0015     323.7      -38.0015     184.084     -38.0015     
1 1 1 5  12 32 o 0 59.7   8.8   ?    ?   412.333  40.3946      138.978    40.3946      54.0254     -139.605     
1 1 1 5  12 33 o 0 47.2   6.9   ?    ?   278.651  -79.944      147.826    -79.944      13.8445     -79.944      
1 1 1 5  12 34 o 0 23.9   6.9   ?    ?   63.6197  -133.062     97.1377    -133.062     59.1406     -133.062     
1 1 1 5  12 35 f 1 55.9   9.2   ?    ?   247.13   -153.724     225.832    -153.724     81.1711     -153.724     
1 1 1 5  12 36 o 0 9.7    6.2   ?    ?   339.17   177.83       51.6688    -2.17013     242.448     -2.17013     
1 1 1 5  12 37 o 0 109.2  11.1  ?    ?   385.841  162.286      311.524    162.286      104.907     162.286      
1 1 1 5  12 38 o 0 20.2   6.3   ?    ?   272.078  56.6447      58.8177    56.6447      82.1086     -123.355     
1 1 1 5  12 39 o 0 12.6   6.3   ?    ?   60.12    -152.641     58.6401    -152.641     29.9098     -152.641     
1 1 1 5  12 40 o 0 35.3   7.4   ?    ?   279.888  30.5596      146.772    30.5596      28.0965     30.5596      
1 1 1 5  13 0  o 0 -0.4   2.4   ?    ?   53.4556  -90          0.88694    -90          38.4873     90           
1 1 1 5  13 1  o 0 124.4  10.6  ?    ?   604.119  152.836      252.586    152.836      189.712     -27.1638     
1 1 1 5  13 2  o 0 531.4  34.6  ?    ?   814.186  120.573      882.724    120.573      290.37      120.573      
1 1 1 5  13 3  o 0 434.8  28.3  ?    ?   971.503  128.288      627.342    128.288      74.9395     -51.7125     
1 1 1 5  13 4  o 0 45.1   3.4   ?    ?   354.569  -49.2048     106.679    -49.2048     147.981     130.795      
1 1 1 5  13 5  o 0 327.9  21.4  ?    ?   861.358  110.341      520.77     110.341      93.9103     -69.6592     
1 1 1 5  13 6  o 0 944.6  70.5  ?    ?   1038.33  10.27        1183.04    10.27        446.772     10.27        
1 1 1 5  13 7  o 0 378.8  28.5  ?    ?   778.03   -51.8332     654.143    -51.8332     105.916     -51.8332     
1 1 1 5  13 8  f 1 212.6  19.9  ?    ?   692.468  -164.899     378.799    -164.899     78.188      15.101       
1 1 1 5  13 9  o 0 69.5   6.3   ?    ?   417.676  59.9502      165.368    59.9502      110.548     -120.05      
1 1 1 5  13 10 o 0 1260   103.1 ?    ?   1509.7   -142.464     1051.84    -142.464     60.7325     -142.464     
1 1 1 5  13 11 o 0 1318   108.1 ?    ?   1324.58  -114.518     1211.13    -114.518     347.018     -114.518     
1 1 1 5  13 12 o 0 78.3   7.4   ?    ?   419.785  14.1012      191.214    14.1012      80.8784     -165.899     
1 1 1 5  13 13 o 0 0.3    2     ?    ?   232.667  -140.544     136.123    39.4562      285.932     39.4562      
1 1 1 5  13 14 o 0 535.8  40.4  ?    ?   1061.1   25.7116      627.125    25.7116      51.3871     -154.288     
1 1 1 5  13 15 o 0 35     3.5   ?    ?   51.5016  -165.643     37.5823    -165.643     4.5394      -165.643     
1 1 1 5  13 16 o 0 804.4  52.2  ?    ?   920.167  -176.024     991.184    -176.024     405.29      -176.024     
1 1 1 5  13 17 o 0 32.4   3.5   ?    ?   314.844  126.437      42.9141    126.437      141.502     -53.5626     
1 1 1 5  13 18 o 0 68.3   5.7   ?    ?   499.363  146.685      97.2914    146.685      193.614     -33.3155     
1 1 1 5  13 19 o 0 173.7  12.8  ?    ?   638.512  -27.3582     276.257    -27.3582     92.3683     152.642      
1 1 1 5  13 20 o 0 734.4  60.5  ?    ?   873.727  -3.42323     842.574    -3.42323     342.96      -3.42323     
1 1 1 5  13 21 o 0 102.5  10.4  ?    ?   502.433  173.059      188.043    173.059      95.7423     -6.94115     
1 1 1 5  13 22 o 0 0.7    5.4   ?    ?   127.65   24.0969      53.6455    -155.903     124.974     -155.903     
1 1 1 5  13 23 o 0 97.5   9.8   ?    ?   477.41   104.818      183.84     104.818      82.9491     -75.1819     
1 1 1 5  13 24 f 1 208.9  17.5  ?    ?   653.428  149.967      315.25     149.967      44.6074     -30.0328     
1 1 1 5  13 25 o 0 263.9  18.4  ?    ?   434.911  -124.107     536.199    -124.107     281.505     -124.107     
1 1 1 5  13 26 f 1 27.5   5.4   ?    ?   199.636  -172.541     61.6331    -172.541     53.4291     7.45921      
1 1 1 5  13 27 o 0 222.2  16.2  ?    ?   599.153  151.516      380.34     151.516      45.8245     151.516      
1 1 1 5  13 28 o 0 43.8   6.3   ?    ?   439.476  159.098      51.2884    159.098      190.484     -20.902      
1 1 1 5  13 29 o 0 90.5   8.7   ?    ?   484.664  1.52336      184.153    1.52336      64.3688     -178.477     
1 1 1 5  13 30 o 0 15.1   6.1   ?    ?   144.828  -61.6037     26.9651    -61.6037     43.5339     118.396      
1 1 1 5  13 31 o 0 16.3   6.7   ?    ?   276.994  -109.651     14.5925    -109.651     116.147     70.3489      
1 1 1 5  13 32 o 0 312.6  26.3  ?    ?   602.098  161.024      500.623    161.024      221.39      161.024      
1 1 1 5  13 33 o 0 142.7  13.6  ?    ?   413.559  30.6903      391.02     30.6903      146.525     30.6903      
1 1 1 5  13 34 o 0 43.2   8.1   ?    ?   194.138  74.2395      200.212    74.2395      85.3346     74.2395      
1 1 1 5  13 35 o 0 2      7     ?    ?   113.074  145.91       8.52505    -34.0903     74.2709     -34.0903     
1 1 1 5  13 36 o 0 7      7.3   ?    ?   184.845  113.142      3.62973    113.142      99.3812     -66.8575     
1 1 1 5  13 37 o 0 27.2   6.4   ?    ?   192.843  177.123      130.859    177.123      28.5468     177.123      
1 1 1 5  13 38 o 0 16.3   6.3   ?    ?   124.911  -116.377     84.3452    -116.377     20.2437     -116.377     
1 1 1 5  13 39 o 0 11.6   7.1   ?    ?   94.6979  -63.3363     75.0308    -63.3363     34.3081     -63.3363     
1 1 1 5  14 0  o 0 47.4   6     ?    ?   187.081  90           160.128    90           23.4472     90           
1 1 1 5  14 1  o 0 77.8   6.4   ?    ?   211.107  106.363      293.792    106.363      140.383     106.363      
1 1 1 5  14 2  o 0 1190.1 82.3  ?    ?   1556.36  66.6619      1080.45    66.6619      44.1244     -113.338     
1 1 1 5  14 3  o 0 258.4  17    ?    ?   643.57   25.9101      540.843    25.9101      78.5583     25.9101      
1 1 1 5  14 4  o 0 90.8   6.2   ?    ?   471.172  -160.446     213.283    -160.446     104.575     19.5544      
1 1 1 5  14 5  o 0 53.2   4.2   ?    ?   408.705  22.5892      109.281    22.5892      164.75      -157.411     
1 1 1 5  14 7  o 0 1245.5 86.1  ?    ?   1423.17  -172.122     1121.74    -172.122     174.908     -172.122     
1 1 1 5  14 8  f 1 126.6  10.7  ?    ?   610.603  -175.91      229.663    -175.91      172.997     4.09042      
1 1 1 5  14 9  o 0 88.6   8.9   ?    ?   312.894  178.538      277.556    178.538      71.9883     178.538      
1 1 1 5  14 10 o 0 7.5    2.2   ?    ?   153.383  127.935      54.1385    -52.0653     154.266     -52.0653     
1 1 1 5  14 12 o 0 270.3  20.7  ?    ?   460.168  101.161      608.232    101.161      311.782     101.161      
1 1 1 5  14 13 o 0 108.2  9.1   ?    ?   373.72   -115.147     298.071    -115.147     56.4325     -115.147     
1 1 1 5  14 14 o 0 3.4    2.4   ?    ?   59.4035  15.5619      29.9837    -164.438     68.117      -164.438     
1 1 1 5  14 15 o 0 950    65.9  ?    ?   1133.71  149.591      923.42     149.591      253.59      149.591      
1 1 1 5  14 16 o 0 75.8   6.3   ?    ?   374.805  111.867      180.744    111.867      38.9596     -68.1334     
1 1 1 5  14 17 o 0 7.6    2.6   ?    ?   135.388  -164.653     43.7123    15.3471      122.657     15.3471      
1 1 1 5  14 18 o 0 112.1  9.6   ?    ?   503.291  -110.582     213.806    -110.582     77.098      69.4184      
1 1 1 5  14 19 o 0 47.9   5.2   ?    ?   364.339  -65.9058     87.934     -65.9058     120.71      114.094      
1 1 1 5  14 20 o 0 328.1  25.3  ?    ?   734.536  12.3624      468.019    12.3624      52.3806     12.3624      
1 1 1 5  14 21 o 0 60.6   7.2   ?    ?   381.724  -12.9375     125.176    -12.9375     88.5948     167.063      
1 1 1 5  14 22 o 0 69     7.7   ?    ?   188.248  -43.619      207.321    -43.619      101.845     -43.619      
1 1 1 5  14 23 f 1 54.7   7.5   ?    ?   55.536   -155.171     81.4213    -155.171     50.7413     -155.171     
1 1 1 5  14 24 o 0 231.4  17.7  ?    ?   660.091  73.4145      364.668    73.4145      23.2933     -106.586     
1 1 1 5  14 25 o 0 80.4   7.8   ?    ?   190.193  7.47129      256.437    7.47129      146.079     7.47129      
1 1 1 5  14 26 o 0 84.4   7.9   ?    ?   359.093  25.8737      218.977    25.8737      17.545      25.8737      
1 1 1 5  14 27 o 0 44.1   6.1   ?    ?   334.583  23.8175      100.853    23.8175      84.1901     -156.182     
1 1 1 5  14 28 o 0 391.5  26.8  ?    ?   777.101  -169.663     534.26     -169.663     133.428     -169.663     
1 1 1 5  14 29 o 0 114.2  10.9  ?    ?   416.904  105.382      277.523    105.382      73.2545     105.382      
1 1 1 5  14 30 o 0 -2.7   6.5   ?    ?   179.096  82.1211      53.7748    -97.8789     140.113     -97.8789     
1 1 1 5  14 31 o 0 112.6  14.2  ?    ?   407.13   100.361      270.647    100.361      80.349      100.361      
1 1 1 5  14 32 o 0 22.4   6.7   ?    ?   178.079  -43.621      97.2604    -43.621      8.91919     136.379      
1 1 1 5  14 33 o 0 243.7  21.7  ?    ?   653.328  -76.3744     442.617    -76.3744     52.4523     -76.3744     
1 1 1 5  14 34 o 0 12.5   6.2   ?    ?   154.39   163.023      41.7094    163.023      48.9509     -16.9767     
1 1 1 5  14 35 o 0 23.8   6.7   ?    ?   245.754  -67.7765     89.6703    -67.7765     48.7422     112.224      
1 1 1 5  14 36 o 0 15.3   6.9   ?    ?   242.867  -82.9044     36.085     -82.9044     94.2313     97.0956      
1 1 1 5  14 37 o 0 139.7  12.1  ?    ?   479.821  72.9328      331.741    72.9328      82.5311     72.9328      
1 1 1 5  14 38 o 0 8      7.1   ?    ?   145.91   -130.132     34.538     -130.132     35.4319     49.8675      
1 1 1 5  14 39 o 0 26.7   8.9   ?    ?   215.192  -12.3812     121.43     -12.3812     29.8013     -12.3812     
1 1 1 5  15 0  o 0 10.2   3.6   ?    ?   5.63225  -90          1.09713    -90          2.77369     90           
1 1 1 5  15 1  o 0 289.2  20.3  ?    ?   927.159  -35.6605     384.814    -35.6605     249.361     144.34       
1 1 1 5  15 2  o 0 928.8  64.5  ?    ?   1312.41  -26.0585     936.869    -26.0585     43.7816     -26.0585     
1 1 1 5  15 3  o 0 615.4  40    ?    ?   1041.38  127.159      775.646    127.159      70.8362     127.159      
1 1 1 5  15 4  o 0 7.9    1.9   ?    ?   174.002  -41.7337     61.2414    138.266      178.341     138.266      
1 1 1 5  15 5  o 0 19.2   2.6   ?    ?   222.463  100.102      0.613729   100.102      148.227     -79.8981     
1 1 1 5  15 6  o 0 345    26.1  ?    ?   392.256  -3.96016     790.502    -3.96016     529.625     -3.96016     
1 1 1 5  15 7  o 0 380.4  26.5  ?    ?   823.449  -2.59446     585.104    -2.59446     40.791      -2.59446     
1 1 1 5  15 8  o 0 180.3  12.9  ?    ?   683.378  124.499      311.894    124.499      137.025     -55.5005     
1 1 1 5  15 9  o 0 14.8   2.9   ?    ?   128.768  -3.37585     9.0398     176.624      93.0934     176.624      
1 1 1 5  15 10 o 0 75.3   8     ?    ?   435.963  102.668      172.883    102.668      109.847     -77.3323     
1 1 1 5  15 11 o 0 1470.8 134.7 ?    ?   1548.93  55.9572      1161.64    55.9572      153.209     55.9572      
1 1 1 5  15 12 o 0 412.2  34.5  ?    ?   845.607  39.8119      592.048    39.8119      45.3004     39.8119      
1 1 1 5  15 13 o 0 28.5   4.1   ?    ?   339.399  -22.999      16.6085    -22.999      201.274     157.001      
1 1 1 5  15 14 o 0 294.7  22.8  ?    ?   597.363  99.3916      515.264    99.3916      162.277     99.3916      
1 1 1 5  15 15 o 0 372.5  28.5  ?    ?   479.675  9.13209      682.186    9.13209      400.079     9.13209      
1 1 1 5  15 16 f 1 78.2   6.7   ?    ?   433.656  -105.456     160.053    -105.456     92.267      74.5442      
1 1 1 5  15 17 o 0 19.3   2.9   ?    ?   199.858  -81.7735     2.80774    -81.7735     112.783     98.2265      
1 1 1 5  15 18 o 0 24.6   3.5   ?    ?   395.536  -63.8791     27.2268    116.121      253.935     116.121      
1 1 1 5  15 19 o 0 352.1  29.6  ?    ?   888.624  163.97       417.096    163.97       86.3223     -16.0299     
1 1 1 5  15 20 o 0 401.6  28.9  ?    ?   663.86   -154.969     596.62     -154.969     224.288     -154.969     
1 1 1 5  15 21 o 0 27.9   4.6   ?    ?   170.553  52.2117      55.8664    52.2117      39.8748     -127.788     
1 1 1 5  15 22 o 0 27.7   5.1   ?    ?   59.5935  -61.8238     29.4458    -61.8238     3.63669     118.176      
1 1 1 5  15 23 f 1 133.8  12.4  ?    ?   571.446  -119.906     229.279    -119.906     106.643     60.0937      
1 1 1 5  15 24 o 0 138.8  13.2  ?    ?   526.272  -48.0036     260.319    -48.0036     46.0384     131.996      
1 1 1 5  15 25 o 0 86.3   8.9   ?    ?   225.177  -56.2011     276.518    -56.2011     149.731     -56.2011     
1 1 1 5  15 26 f 1 17.5   5     ?    ?   75.5606  -63.9482     20.1917    -63.9482     21.6697     116.052      
1 1 1 5  15 27 o 0 49.2   6.4   ?    ?   388.275  -78.1228     108.867    -78.1228     92.3838     101.877      
1 1 1 5  15 28 o 0 253.2  20.4  ?    ?   704.981  16.9753      393.507    16.9753      46.2016     16.9753      
1 1 1 5  15 29 o 0 52.7   9.6   ?    ?   310.038  47.5075      154.326    47.5075      3.95475     47.5075      
1 1 1 5  15 30 o 0 -4.7   6.5   ?    ?   117.096  170.369      33.6309    -9.63085     88.7308     -9.63085     
1 1 1 5  15 31 o 0 36.2   7     ?    ?   349.718  -1.83895     99.8697    -1.83895     110.183     178.161      
1 1 1 5  15 32 o 0 12.3   6.2   ?    ?   169.636  97.768       33.5571    97.768       68.5614     -82.232      
1 1 1 5  15 33 o 0 70.9   9.1   ?    ?   337.844  -174.074     233.78     -174.074     33.6677     -174.074     
1 1 1 5  15 34 f 1 72.6   8.7   ?    ?   209.395  -63.9508     302.99     -63.9508     184.256     -63.9508     
1 1 1 5  15 35 o 0 33.3   7.1   ?    ?   241.293  70.5693      142.197    70.5693      11.422      70.5693      
1 1 1 5  15 36 o 0 92.1   10.2  ?    ?   358.42   176.195      282.814    176.195      94.6535     176.195      
1 1 1 5  15 37 o 0 49.1   8     ?    ?   183.525  -108.209     232.926    -108.209     143.908     -108.209     
1 1 1 5  15 38 o 0 17.4   6.8   ?    ?   168.455  8.18598      95.9868    8.18598      23.3843     8.18598      
1 1 1 5  16 0  o 0 12.9   3.2   ?    ?   67.1464  -90          17.7131    -90          27.9758     90           
1 1 1 5  16 1  o 0 82.3   6.5   ?    ?   593.826  -170.727     112.405    -170.727     289.957     9.27325      
1 1 1 5  16 2  o 0 1757.8 121.7 ?    ?   1644.26  38.8182      1381.12    38.8182      272.175     38.8182      
1 1 1 5  16 3  o 0 808.6  56.1  ?    ?   1053.57  -54.3144     976.557    -54.3144     269.541     -54.3144     
1 1 1 5  16 4  o 0 24.9   3.1   ?    ?   380.311  27.8779      18.7935    -152.122     272.657     -152.122     
1 1 1 5  16 5  f 1 349.3  26.4  ?    ?   885.804  31.0053      501.325    31.0053      85.1724     -148.995     
1 1 1 5  16 6  o 0 186.1  13.3  ?    ?   676.448  -72.6986     330.42     -72.6986     116.029     107.301      
1 1 1 5  16 7  o 0 664.7  46.1  ?    ?   1110.89  -97.3377     765.997    -97.3377     37.1905     -97.3377     
1 1 1 5  16 8  o 0 197.9  15.2  ?    ?   727.966  -22.6906     314.422    -22.6906     165.278     157.309      
1 1 1 5  16 9  o 0 39.2   6     ?    ?   167.432  -6.00655     104.916    -6.00655     4.71503     173.993      
1 1 1 5  16 10 o 0 342.5  28.7  ?    ?   869.041  -60.0957     478.196    -60.0957     87.1121     119.904      
1 1 1 5  16 11 o 0 1227.9 92.1  ?    ?   1358.9   -111.852     1021.86    -111.852     207.673     -111.852     
1 1 1 5  16 12 o 0 195.1  15.5  ?    ?   695.266  -9.46929     296.698    -9.46929     116.947     170.531      
1 1 1 5  16 13 o 0 71.5   7.2   ?    ?   227.793  18.6841      214.065    18.684       79.5301     18.684       
1 1 1 5  16 14 o 0 103.7  9.1   ?    ?   168.778  90.8908      302.389    90.8908      203.164     90.8908      
1 1 1 5  16 15 o 0 1332.7 109.4 ?    ?   1592.1   0.552586     922.481    0.552586     6.06515     -179.447     
1 1 1 5  16 16 o 0 144    13.1  ?    ?   368.543  -38.6906     349.576    -38.6906     136.428     -38.6906     
1 1 1 5  16 17 o 0 2.6    3.6   ?    ?   28.0907  71.2828      12.3707    -108.717     28.4401     -108.717     
1 1 1 5  16 18 o 0 35.3   4.2   ?    ?   538.758  25.9373      40.4131    -154.063     345.775     -154.063     
1 1 1 5  16 19 o 0 78.2   7.2   ?    ?   208.81   -103.891     229.273    -103.891     112.067     -103.891     
1 1 1 5  16 20 o 0 28.9   4.4   ?    ?   445.485  158.417      23.089     -21.583      273.449     -21.583      
1 1 1 5  16 21 o 0 18.2   4.3   ?    ?   273.022  112.102      12.1755    -67.8981     173.563     -67.8981     
1 1 1 5  16 22 o 0 67.2   8.1   ?    ?   292.64   -142.493     193.701    -142.493     20.8986     -142.493     
1 1 1 5  16 23 o 0 23.2   5.3   ?    ?   205.841  53.2637      39.2715    53.2637      80.8381     -126.736     
1 1 1 5  16 24 o 0 360    28.6  ?    ?   701.249  110.295      529.469    110.295      133.503     110.295      
1 1 1 5  16 25 o 0 101    9.8   ?    ?   366.795  82.3163      256.283    82.3163      51.868      82.3163      
1 1 1 5  16 26 o 0 23     5.1   ?    ?   177.687  -47.6898     65.6136    -47.6898     26.8419     132.31       
1 1 1 5  16 27 o 0 268.4  23.1  ?    ?   750.248  83.3732      394.627    83.3732      23.3837     83.3732      
1 1 1 5  16 28 o 0 221.2  19.4  ?    ?   647.147  -65.1607     365.719    -65.1607     50.2744     -65.1607     
1 1 1 5  16 29 o 0 330.8  32.1  ?    ?   872.042  -93.5032     407.351    -93.5032     5.28638     86.4968      
1 1 1 5  16 30 o 0 0.8    5.7   ?    ?   167.051  -136.541     38.813     43.4587      120.166     43.4587      
1 1 1 5  16 31 o 0 19.8   5.9   ?    ?   179.555  -34.2695     90.7003    -34.2696     18.1282     145.73       
1 1 1 5  16 32 o 0 69.4   8.3   ?    ?   349.192  -152.445     224.482    -152.445     16.5579     -152.445     
1 1 1 5  16 33 o 0 108.6  10.1  ?    ?   442.217  90.8184      282.374    90.8184      23.2983     90.8184      
1 1 1 5  16 34 o 0 19.1   8.6   ?    ?   154.928  11.8337      85.7392    11.8337      1.37145     -168.166     
1 1 1 5  16 35 f 1 8.1    7.2   ?    ?   119.332  -47.6548     28.3833    -47.6548     35.4168     132.345      
1 1 1 5  16 36 o 0 54.2   8.2   ?    ?   410.835  3.01014      140.629    3.01014      72.6731     -176.99      
1 1 1 5  16 37 o 0 24.3   7.9   ?    ?   300.354  168.194      84.7633    168.194      46.0935     -11.8058     
1 1 1 5  17 0  o 0 42.8   5.5   ?    ?   218.86   90           150.832    90           3.52212     90           
1 1 1 5  17 1  o 0 55.1   4.8   ?    ?   402.701  106.953      120.317    106.953      149.721     -73.0468     
1 1 1 5  17 2  f 1 338.1  31.7  ?    ?   591.03   -0.813102    664.539    -0.813102    266.703     -0.813102    
1 1 1 5  17 3  o 0 2374.5 177   ?    ?   2063.14  -63.783      1462.02    -63.783      76.0937     -63.783      
1 1 1 5  17 4  o 0 15.8   2.7   ?    ?   196.596  164.835      18.0501    -15.1651     149.46      -15.1651     
1 1 1 5  17 5  o 0 62.6   5.2   ?    ?   351.254  -114.256     168.551    -114.256     64.9973     65.7444      
1 1 1 5  17 6  o 0 580.9  37.9  ?    ?   1021.06  -74.7682     717.196    -74.7682     42.0648     -74.7682     
1 1 1 5  17 7  o 0 1071.1 74.2  ?    ?   1374.52  -111.819     981.826    -111.819     78.2684     -111.819     
1 1 1 5  17 8  f 1 129.1  9     ?    ?   330.128  -76.3003     378.027    -76.3003     162.884     -76.3003     
1 1 1 5  17 9  f 1 72.3   7.1   ?    ?   675.678  -124.506     19.9161    -124.506     385.851     55.4938      
1 1 1 5  17 10 o 0 280.8  21.7  ?    ?   1003.76  -130.596     270.02     -130.596     330.358     49.4043      
1 1 1 5  17 11 o 0 338.2  26.1  ?    ?   892.922  8.43163      415.785    8.43163      116.268     -171.568     
1 1 1 5  17 12 o 0 28.9   4.2   ?    ?   315.192  -90.3832     25.8348    -90.3832     160.636     89.6168      
1 1 1 5  17 13 f 1 21.7   4.1   ?    ?   289.224  152.219      4.4283     -27.7814     173.828     -27.7814     
1 1 1 5  17 14 o 0 111.8  10    ?    ?   372.939  -28.5931     276.564    -28.5931     59.2702     -28.5931     
1 1 1 5  17 15 o 0 695    57.4  ?    ?   993.182  -114.426     748.328    -114.426     175.592     -114.426     
1 1 1 5  17 16 o 0 1018.5 83.7  ?    ?   1395.8   -82.1863     788.402    -82.1863     9.65344     97.8137      
1 1 1 5  17 17 o 0 37.2   5.8   ?    ?   170.059  87.0215      88.2211    87.0215      8.14133     -92.9785     
1 1 1 5  17 18 o 0 51.8   5.8   ?    ?   252.172  -66.602      144.984    -66.602      1.80283     -66.602      
1 1 1 5  17 19 o 0 405.1  31.5  ?    ?   976.245  -49.5691     423.734    -49.5691     125.102     130.431      
1 1 1 5  17 20 o 0 371    25.2  ?    ?   807.147  -115.358     498.871    -115.358     21.4193     -115.358     
1 1 1 5  17 21 o 0 32.9   4.9   ?    ?   268.686  63.6938      73.3138    63.6938      85.515      -116.306     
1 1 1 5  17 22 o 0 102.2  9.2   ?    ?   326.853  -111.05      275.604    -111.05      84.5986     -111.05      
1 1 1 5  17 23 o 0 115.4  11.9  ?    ?   533.326  59.8023      211.547    59.8023      90.183      -120.198     
1 1 1 5  17 24 o 0 684.2  57.2  ?    ?   976.583  71.2665      714.407    71.2665      168.851     71.2665      
1 1 1 5  17 25 o 0 43.2   8.3   ?    ?   356.276  18.767       100.668    18.767       85.2492     -161.233     
1 1 1 5  17 26 o 0 26.3   5.6   ?    ?   92.7954  147.406      75.8078    147.406      29.7332     147.406      
1 1 1 5  17 27 f 1 15.7   6.2   ?    ?   89.4146  106.52       25.6595    106.52       17.9845     -73.4802     
1 1 1 5  17 28 o 0 379.3  30.4  ?    ?   751.739  -144.224     528.15     -144.224     170.83      -144.224     
1 1 1 5  17 29 o 0 16.5   5.6   ?    ?   277.375  -152.227     16.6538    -152.227     119.115     27.7734      
1 1 1 5  17 30 o 0 6.5    5     ?    ?   57.8135  -30.1052     4.01162    -30.1052     31.2291     149.895      
1 1 1 5  17 31 o 0 9.6    5.2   ?    ?   92.1054  107.167      22.2309    107.167      32.9591     -72.8334     
1 1 1 5  17 32 o 0 1.4    6     ?    ?   93.0474  -98.3668     12.3184    81.6332      67.2094     81.6332      
1 1 1 5  17 33 o 0 13.6   6.1   ?    ?   160.685  31.767       53.9977    31.767       37.0359     -148.233     
1 1 1 5  17 34 o 0 43.8   6.6   ?    ?   229.917  115.959      193.202    115.959      68.9457     115.959      
1 1 1 5  17 35 f 1 13.4   7     ?    ?   187.008  -125.268     48.6679    -125.268     49.0378     54.7324      
1 1 1 5  17 36 o 0 -1.3   6.9   ?    ?   129.105  114.389      1.88322    -65.6108     64.4074     -65.6108     
1 1 1 5  17 37 o 0 11.9   9.7   ?    ?   144.092  26.7889      68.2145    26.7889      6.16775     26.7889      
1 1 1 5  18 0  o 0 13.9   4.2   ?    ?   172.284  -90          43.1962    -90          72.6261     90           
1 1 1 5  18 1  f 1 446.2  33.8  ?    ?   780.234  -54.713      705.732    -54.713      184.272     -54.713      
1 1 1 5  18 2  o 0 1503.2 123.4 ?    ?   1603.05  -123.927     1187.18    -123.927     117.112     -123.927     
1 1 1 5  18 3  f 1 2099.3 156.5 ?    ?   2024.33  90.6406      1217.74    90.6406      26.8313     -89.3594     
1 1 1 5  18 4  o 0 37.4   4.1   ?    ?   116.34   97.0437      77.4476    97.0437      6.06916     97.0437      
1 1 1 5  18 5  o 0 2.5    2.7   ?    ?   115.14   -124.636     57.4036    55.3636      127.691     55.3636      
1 1 1 5  18 6  o 0 725.6  50.6  ?    ?   1214.17  70.7061      694.507    70.7061      42.7313     -109.294     
1 1 1 5  18 7  o 0 282    20.3  ?    ?   816.321  160.587      383.436    160.587      109.424     -19.4128     
1 1 1 5  18 8  o 0 586.1  41    ?    ?   1098.26  -157.84      608.68     -157.84      52.4642     22.1603      
1 1 1 5  18 9  o 0 69.3   5.6   ?    ?   335.833  -145.047     179.482    -145.047     21.4223     34.9528      
1 1 1 5  18 10 o 0 324.4  25    ?    ?   933.32   -177.819     371.734    -177.819     182.939     2.18094      
1 1 1 5  18 11 o 0 491.6  40.9  ?    ?   1010.64  128.889      539.467    128.889      57.0317     -51.1113     
1 1 1 5  18 12 o 0 185.1  16    ?    ?   630.99   179.605      305.89     179.605      63.854      -0.394766    
1 1 1 5  18 13 o 0 63.8   6.9   ?    ?   361.551  -135.337     149.023    -135.337     60.788      44.6633      
1 1 1 5  18 14 o 0 20     4.4   ?    ?   238.011  165.858      2.6241     165.858      134.406     -14.1416     
1 1 1 5  18 15 o 0 1760.6 144.1 ?    ?   1614.53  -172.817     1146.34    -172.817     224.495     -172.817     
1 1 1 5  18 16 o 0 342.5  29.1  ?    ?   592.079  -88.7364     561.776    -88.7364     226.649     -88.7364     
1 1 1 5  18 17 o 0 6.1    5     ?    ?   142.361  -104.571     45.8022    75.4294      126.569     75.4294      
1 1 1 5  18 18 o 0 194.9  19.9  ?    ?   682.866  -67.502      296.782    -67.502      111.183     112.498      
1 1 1 5  18 19 f 1 9.7    3.1   ?    ?   229.538  146.374      50.7547    -33.6255     187.562     -33.6255     
1 1 1 5  18 20 o 0 1147.5 86.4  ?    ?   1468.63  172.94       832.194    172.94       36.1448     -7.05961     
1 1 1 5  18 21 o 0 41     5.3   ?    ?   321.228  -116.055     87.994     -116.055     99.8376     63.9453      
1 1 1 5  18 22 o 0 49.3   6.4   ?    ?   113.041  15.0056      154.333    15.0056      90.3145     15.0056      
1 1 1 5  18 23 o 0 463.3  39.6  ?    ?   1123.04  -131.09      448.592    -131.09      146.141     48.9098      
1 1 1 5  18 24 o 0 453.1  43.7  ?    ?   719.223  -70.8287     631.26     -70.8287     255.22      -70.8287     
1 1 1 5  18 25 o 0 96.4   14.1  ?    ?   558.448  86.4978      173.358    86.4978      104.592     -93.5022     
1 1 1 5  18 26 f 1 10.2   6.8   ?    ?   340.793  178.004      52.3182    -1.99601     219.15      -1.99601     
1 1 1 5  18 27 o 0 13.1   5.4   ?    ?   250.052  -127.343     3.93616    -127.343     115.331     52.6571      
1 1 1 5  18 28 o 0 44.2   6.4   ?    ?   401.663  94.5032      89.3559    94.5032      108.038     -85.4968     
1 1 1 5  18 29 o 0 111.4  9.8   ?    ?   514.872  73.7523      262.183    73.7523      53.1005     -106.248     
1 1 1 5  18 30 o 0 15.6   5.9   ?    ?   120.957  76.4331      66.3018    76.4331      6.55151     -103.567     
1 1 1 5  18 31 o 0 5.8    5.6   ?    ?   122.195  45.4529      0.480922   45.4529      72.0218     -134.547     
1 1 1 5  18 32 o 0 17.7   5.3   ?    ?   129.212  65.0799      96.3586    65.0799      22.6877     65.0799      
1 1 1 5  18 33 o 0 48     6.6   ?    ?   308.929  -100.614     174.45     -100.614     6.3199      -100.614     
1 1 1 5  18 34 o 0 4.1    5.5   ?    ?   76.4875  -88.8948     10.189     -88.8949     30.1835     91.1051      
1 1 1 5  18 35 o 0 6.2    6.7   ?    ?   147.045  157.079      24.1157    157.079      47.6893     -22.9208     
1 1 1 5  18 36 o 0 24.8   9.5   ?    ?   230.017  165.259      104.591    165.259      4.65526     165.259      
1 1 1 5  19 0  o 0 19     6.1   ?    ?   150.713  -90          46.6795    -90          46.3822     90           
1 1 1 5  19 1  o 0 1333.1 99.7  ?    ?   1598.88  170.171      975.378    170.171      9.02332     -9.82861     
1 1 1 5  19 2  o 0 283.3  22    ?    ?   567.943  112.191      530.629    112.191      182.156     112.191      
1 1 1 5  19 3  o 0 1252.5 93.7  ?    ?   1449.72  20.4611      999.213    20.4611      113.184     20.4611      
1 1 1 5  19 4  o 0 74.8   6.6   ?    ?   111.477  -74.2651     193.663    -74.2651     125.828     -74.2651     
1 1 1 5  19 5  o 0 355.2  23.6  ?    ?   793.772  2.46239      504.998    2.46239      24.2768     2.46239      
1 1 1 5  19 6  o 0 433.6  30.6  ?    ?   862.71   125.862      567.187    125.862      47.4015     125.862      
1 1 1 5  19 7  o 0 322    24.9  ?    ?   764.652  125.935      467.748    125.935      9.5778      125.935      
1 1 1 5  19 8  o 0 17     3.3   ?    ?   37.3616  155.568      1.31635    155.568      20.9393     -24.4319     
1 1 1 5  19 9  o 0 46     4.4   ?    ?   155.283  -106.997     119.355    -106.997     27.4282     -106.997     
1 1 1 5  19 10 o 0 61.3   6.7   ?    ?   600.044  12.973       22.8237    12.973       330.08      -167.027     
1 1 1 5  19 11 o 0 256.2  20.6  ?    ?   595.415  76.2342      449.093    76.2342      102.07      76.2342      
1 1 1 5  19 12 o 0 316.5  27.3  ?    ?   972.499  146.611      329.735    146.611      232.964     -33.3892     
1 1 1 5  19 13 o 0 6.6    4     ?    ?   75.032   -0.541465    25.1378    179.459      68.2225     179.459      
1 1 1 5  19 14 o 0 170.8  16.6  ?    ?   682.201  138.443      245.102    138.443      143.505     -41.5575     
1 1 1 5  19 15 o 0 1185.2 97.4  ?    ?   1250.61  140.247      969.761    140.247      255.186     140.247      
1 1 1 5  19 16 f 1 505.8  47.7  ?    ?   933.429  108.628      598.044    108.628      37.4227     108.628      
1 1 1 5  19 17 o 0 30.4   6.1   ?    ?   295.109  -102.705     47.6141    -102.705     128.446     77.2953      
1 1 1 5  19 18 o 0 37.6   7.4   ?    ?   160.104  -121.68      110.705    -121.68      15.1368     -121.68      
1 1 1 5  19 19 o 0 85.8   9.3   ?    ?   292.566  -117.088     249.007    -117.088     76.1467     -117.088     
1 1 1 5  19 20 f 1 161.6  18.5  ?    ?   565.499  67.9013      295.671    67.9013      27.4019     -112.099     
1 1 1 5  19 21 o 0 30.8   6.1   ?    ?   263.379  156.371      74.674     156.371      74.4967     -23.6295     
1 1 1 5  19 22 o 0 11.2   4.3   ?    ?   272.875  62.1113      32.0379    -117.889     176.618     -117.889     
1 1 1 5  19 23 f 1 109    9.8   ?    ?   381.933  -140.969     280.694    -140.969     81.327      -140.969     
1 1 1 5  19 24 o 0 42.4   7.1   ?    ?   305.566  155.676      126.04     155.676      26.2616     -24.3243     
1 1 1 5  19 25 o 0 14.4   5.3   ?    ?   112.462  -123.843     31.2285    -123.843     23.3061     56.1568      
1 1 1 5  19 26 o 0 5.1    9.3   ?    ?   202.508  -98.5492     17.4231    81.4508      114.247     81.4508      
1 1 1 5  19 27 o 0 23.1   6.6   ?    ?   240.568  70.987       67.5329    70.987       51.0404     -109.013     
1 1 1 5  19 28 o 0 185.6  16.8  ?    ?   531.685  16.2498      420.383    16.2498      93.6677     16.2498      
1 1 1 5  19 29 f 1 74.8   9.2   ?    ?   250.062  -63.6116     296.68     -63.6116     145.845     -63.6116     
1 1 1 5  19 30 o 0 10.4   5     ?    ?   33.1521  93.762       16.3696    93.762       3.39175     -86.238      
1 1 1 5  19 31 o 0 40.1   6.1   ?    ?   235.301  -119.318     177.616    -119.318     42.756      -119.318     
1 1 1 5  19 32 o 0 -1     5.3   ?    ?   110.301  -73.6269     20.1548    106.373      80.5349     106.373      
1 1 1 5  19 33 o 0 111.4  10.2  ?    ?   320.854  41.9879      355.509    41.9879      185.058     41.9879      
1 1 1 5  19 34 o 0 12.2   5.5   ?    ?   72.214   -82.4558     64.8762    -82.4558     29.3628     -82.4558     
1 1 1 5  19 35 o 0 20.8   6.6   ?    ?   200.856  -69.3062     108.243    -69.3062     20.302      -69.3062     
1 1 1 5  20 0  o 0 26.2   6.4   ?    ?   102.918  90           46.815     90           15.8797     -90          
1 1 1 5  20 1  o 0 140    12.9  ?    ?   325.846  99.3703      376.583    99.3703      178.591     99.3703      
1 1 1 5  20 2  o 0 218    19    ?    ?   423.07   -37.387      488.496    -37.387      232.224     -37.387      
1 1 1 5  20 3  o 0 135.8  11.9  ?    ?   274.771  -89.2165     382.828    -89.2165     216.987     -89.2165     
1 1 1 5  20 4  o 0 48.5   6.2   ?    ?   283.421  171.889      123.762    171.889      46.6027     -8.1106      
1 1 1 5  20 5  f 1 51.4   6     ?    ?   214.67   98.7422      146.987    98.7422      18.862      98.7422      
1 1 1 5  20 6  o 0 164.2  12.6  ?    ?   464.697  -68.0836     359.453    -68.0836     83.3572     -68.0836     
1 1 1 5  20 7  o 0 30.7   4.5   ?    ?   323.684  113.751      35.1203    113.751      156.166     -66.249      
1 1 1 5  20 8  o 0 230.7  15.8  ?    ?   748.56   26.8336      327.523    26.8336      112.318     -153.166     
1 1 1 5  20 9  o 0 123.2  9.3   ?    ?   502.746  84.8425      245.408    84.8425      48.193      -95.1575     
1 1 1 5  20 10 o 0 372.8  24.8  ?    ?   920.233  -2.84953     439.251    -2.84953     94.6761     177.15       
1 1 1 5  20 11 o 0 715.3  54.9  ?    ?   1186.17  -44.4816     659.709    -44.4816     23.7969     135.518      
1 1 1 5  20 12 o 0 121.2  12.1  ?    ?   367.285  -176.541     300.733    -176.541     88.2028     -176.541     
1 1 1 5  20 13 o 0 47.9   6.8   ?    ?   331.618  32.8001      105.805    32.8001      84.6209     -147.2       
1 1 1 5  20 14 o 0 72.3   8.3   ?    ?   576.248  -114.931     72.6324    -114.931     276.355     65.0691      
1 1 1 5  20 16 o 0 102.6  12.2  ?    ?   655.989  84.1205      110.246    84.1205      284.205     -95.8795     
1 1 1 5  20 17 o 0 48.8   8.2   ?    ?   243.037  -64.4441     147.574    -64.4441     2.79869     -64.4441     
1 1 1 5  20 18 o 0 18.7   5.7   ?    ?   123.832  82.9337      32.8095    82.9337      38.7633     -97.0663     
1 1 1 5  20 19 o 0 109.2  11.1  ?    ?   581.46   -69.2296     173.768    -69.2296     158.848     110.77       
1 1 1 5  20 20 o 0 101.4  12.6  ?    ?   509.574  32.2393      206.796    32.2393      66.1522     -147.761     
1 1 1 5  20 21 o 0 75.7   8.5   ?    ?   272.917  -167.755     242.367    -167.755     97.8343     -167.755     
1 1 1 5  20 22 o 0 23.1   4.7   ?    ?   291.591  105.713      48.5544    105.713      98.6641     -74.2867     
1 1 1 5  20 23 o 0 5.6    3.9   ?    ?   88.3742  137.237      16.3292    -42.7634     60.3948     -42.7634     
1 1 1 5  20 24 o 0 18.8   5.9   ?    ?   293.393  -133.833     28.9143    -133.833     113.481     46.167       
1 1 1 5  20 25 o 0 37.2   6.8   ?    ?   256.528  -21.3978     125.448    -21.3978     2.62828     -21.3978     
1 1 1 5  20 26 o 0 5.5    5.5   ?    ?   172.847  -25.8027     27.3756    154.197      133.301     154.197      
1 1 1 5  20 27 o 0 40.9   8     ?    ?   228.445  85.9877      183.609    85.9877      42.8943     85.9877      
1 1 1 5  20 28 o 0 195.3  16    ?    ?   553.041  100.772      422.886    100.772      86.7144     100.772      
1 1 1 5  20 29 o 0 101.6  10.2  ?    ?   414.79   -116.537     284.679    -116.537     36.5643     -116.537     
1 1 1 5  20 30 o 0 1.7    5     ?    ?   108.039  22.6529      15.4054    -157.347     77.5791     -157.347     
1 1 1 5  20 31 o 0 27     5.7   ?    ?   164.078  -161.882     146.492    -161.882     56.2552     -161.882     
1 1 1 5  20 32 o 0 3.5    5.2   ?    ?   166.001  -85.6174     10.2975    94.3826      98.9482     94.3826      
1 1 1 5  20 33 o 0 16.3   5.7   ?    ?   169.095  168.336      85.7338    168.336      2.08767     168.336      
1 1 1 5  20 34 f 1 8.5    6     ?    ?   166.007  -66.6523     42.9504    -66.6523     30.0169     113.348      
1 1 1 5  21 0  f 1 6.4    6.2   ?    ?   130.62   -90          10.9875    -90          67.0746     90           
1 1 1 5  21 1  o 0 174.7  13.6  ?    ?   652.584  -74.2497     282.401    -74.2497     107.74      105.75       
1 1 1 5  21 2  o 0 639.1  45.1  ?    ?   1126.04  155.835      643.502    155.835      27.819      -24.1647     
1 1 1 5  21 3  o 0 744    56.3  ?    ?   1114.38  153.627      749.846    153.627      87.6857     153.627      
1 1 1 5  21 4  o 0 38.8   7.4   ?    ?   272.148  12.5768      88.4845    12.5768      72.6075     -167.423     
1 1 1 5  21 5  o 0 200.8  16.4  ?    ?   556.241  -171.699     379.734    -171.699     51.8921     -171.699     
1 1 1 5  21 6  o 0 206.1  15.6  ?    ?   657.763  47.4209      333.41     47.4209      52.4276     -132.579     
1 1 1 5  21 7  o 0 63.7   6.2   ?    ?   405.373  -26.2422     130.338    -26.2422     106.218     153.758      
1 1 1 5  21 8  o 0 184.7  13.2  ?    ?   523.722  -163.421     360.791    -163.421     53.3799     -163.421     
1 1 1 5  21 9  o 0 47.3   5.2   ?    ?   347.776  113.269      98.9612    113.269      103.946     -66.731      
1 1 1 5  21 10 o 0 718.4  54.6  ?    ?   1224.19  -136.026     629.279    -136.026     80.3791     43.9742      
1 1 1 5  21 11 o 0 535.3  45.1  ?    ?   981.245  -35.3638     614.734    -35.3638     14.085      -35.3638     
1 1 1 5  21 12 o 0 730.7  60.6  ?    ?   1203.19  -6.79584     678.901    -6.79584     52.2767     173.204      
1 1 1 5  21 13 o 0 7.2    4.9   ?    ?   188.224  -138.241     56.9812    41.759       171.661     41.759       
1 1 1 5  21 14 o 0 457.6  43.1  ?    ?   811.261  -17.9868     603.11     -17.9868     112.821     -17.9868     
1 1 1 5  21 15 f 1 248.2  23    ?    ?   702.877  70.3013      374.753    70.3013      45.334      -109.699     
1 1 1 5  21 16 o 0 80.1   10.3  ?    ?   262.908  149.947      255.169    149.947      102.186     149.947      
1 1 1 5  21 17 f 1 13.8   5.6   ?    ?   240.346  18.0277      17.4621    -161.972     155.643     -161.972     
1 1 1 5  21 18 f 1 22.6   8     ?    ?   99.5953  160.906      41.8338    160.906      14.8592     -19.0942     
1 1 1 5  21 19 f 1 152    20.1  ?    ?   350.195  -118.181     390.683    -118.181     203.948     -118.181     
1 1 1 5  21 20 o 0 109.3  11.7  ?    ?   276.431  142.882      326.411    142.882      180.239     142.882      
1 1 1 5  21 21 o 0 13.7   5.9   ?    ?   121.014  155.597      20.2647    155.597      40.7667     -24.4033     
1 1 1 5  21 22 o 0 29.7   7.2   ?    ?   345.836  -171.734     57.246     -171.734     115.087     8.26586      
1 1 1 5  21 23 o 0 118.1  11.3  ?    ?   567.691  100.647      224.609    100.647      50.8671     -79.3526     
1 1 1 5  21 24 o 0 67.9   10.2  ?    ?   244.758  132.024      229.864    132.024      107.231     132.024      
1 1 1 5  21 25 o 0 9.3    5     ?    ?   65.2463  141.269      9.44335    141.269      30.5737     -38.731      
1 1 1 5  21 26 o 0 7.4    5.1   ?    ?   173.925  125.648      6.72215    -54.3519     113.994     -54.3519     
1 1 1 5  21 27 o 0 27.4   5.3   ?    ?   163.169  92.96        146.515    92.96        47.1488     92.96        
1 1 1 5  21 28 o 0 42.8   7     ?    ?   153.513  46.664       218.567    46.664       126.521     46.664       
1 1 1 5  21 29 o 0 13.3   6.4   ?    ?   139.341  36.6469      56.8263    36.6469      23.5957     -143.353     
1 1 1 5  21 30 o 0 4.8    4.9   ?    ?   95.7728  167.374      5.04264    167.374      47.8134     -12.6256     
1 1 1 5  21 31 o 0 17.8   5.5   ?    ?   27.3637  -121.249     51.3444    -121.249     36.6715     -121.249     
1 1 1 5  21 32 o 0 7.1    5.2   ?    ?   130.736  -36.3815     29.8074    -36.3815     35.1666     143.618      
1 1 1 5  21 33 o 0 55     8.1   ?    ?   288.728  -167.289     224.773    -167.289     96.8649     -167.289     
1 1 1 5  22 0  o 0 11.2   6.5   ?    ?   17.0998  90           2.84614    90           7.36075     -90          
1 1 1 5  22 1  o 0 343.4  27    ?    ?   726.93   -154.121     509.887    -154.121     76.813      -154.121     
1 1 1 5  22 2  o 0 61     7.2   ?    ?   349.081  -156.595     149.422    -156.595     58.0263     23.4048      
1 1 1 5  22 3  o 0 637.3  48.7  ?    ?   1253.74  43.7848      547.634    43.7848      195.151     -136.215     
1 1 1 5  22 4  f 1 69.6   9.9   ?    ?   247.619  -25.3392     212.346    -25.3392     66.5426     -25.3392     
1 1 1 5  22 5  o 0 177.7  19.7  ?    ?   512.478  25.7864      351.73     25.7864      50.4286     25.7864      
1 1 1 5  22 6  o 0 10     5     ?    ?   308.22   -33.7215     84.5946    146.278      264.981     146.278      
1 1 1 5  22 7  o 0 118.3  10.5  ?    ?   389.366  94.0246      303.91     94.0246      62.8466     94.0246      
1 1 1 5  22 8  o 0 75.1   10.1  ?    ?   396.721  -153.548     178.085    -153.548     66.1884     26.4518      
1 1 1 5  22 9  o 0 69.7   8.7   ?    ?   321.271  28.335       194.759    28.335       1.88812     -151.665     
1 1 1 5  22 10 o 0 59.1   6     ?    ?   154.915  106.01       198.607    106.01       103.414     106.01       
1 1 1 5  22 11 o 0 691.8  48.5  ?    ?   1038.93  175.548      734.49     175.548      100.411     175.548      
1 1 1 5  22 12 o 0 26.2   6     ?    ?   121.045  27.7464      55.7944    27.7464      17.5486     -152.254     
1 1 1 5  22 13 o 0 31.4   6.4   ?    ?   98.8473  -102.248     69.0764    -102.248     9.64181     -102.248     
1 1 1 5  22 14 o 0 106.4  12.3  ?    ?   584.233  86.2745      168.5      86.2745      172.93      -93.7255     
1 1 1 5  22 15 o 0 212.4  20.6  ?    ?   548.779  -77.6734     402.578    -77.6734     84.6112     -77.6734     
1 1 1 5  22 16 o 0 159.9  16.8  ?    ?   360.207  -106.665     396.842    -106.665     190.016     -106.665     
1 1 1 5  22 17 f 1 42.3   8.9   ?    ?   199.121  95.6431      153.102    95.6431      46.1785     95.6431      
1 1 1 5  22 18 o 0 15.8   5.9   ?    ?   105.054  179.814      23.216     179.814      32.7769     -0.186204    
1 1 1 5  22 19 o 0 44.6   7.2   ?    ?   134.56   50.5013      168.784    50.5013      100.316     50.5013      
1 1 1 5  22 20 o 0 53     8     ?    ?   461.904  133.706      98.0704    133.706      134.381     -46.2938     
1 1 1 5  22 21 o 0 48.5   9.2   ?    ?   343.543  55.5738      137.069    55.5738      31.4576     -124.426     
1 1 1 5  22 22 o 0 8.9    8.6   ?    ?   122.124  -66.6355     6.7296     -66.6355     52.4578     113.364      
1 1 1 5  22 23 o 0 46.2   10.3  ?    ?   131      -71.0946     227.535    -71.0946     146.143     -71.0946     
1 1 1 5  22 24 o 0 39.2   6.4   ?    ?   212.094  26.4172      188.257    26.4172      55.5959     26.4172      
1 1 1 5  22 25 o 0 63.7   7.7   ?    ?   342.177  93.207       217.318    93.207       6.22879     93.207       
1 1 1 5  22 26 o 0 3.6    4.5   ?    ?   56.2609  135.37       5.5378     -44.6296     39.8242     -44.6296     
1 1 1 5  22 27 o 0 26.2   5.1   ?    ?   232.58   48.6056      116.144    48.6056      20.4488     -131.394     
1 1 1 5  22 28 o 0 34.6   5.6   ?    ?   197.555  -20.7286     176.006    -20.7286     64.9329     -20.7286     
1 1 1 5  22 29 o 0 32.7   7.1   ?    ?   268.32   -56.6039     129.456    -56.6039     18.9752     123.396      
1 1 1 5  22 30 o 0 14.4   6.5   ?    ?   155.344  -95.3426     67.9652    -95.3426     15.5757     84.6574      
1 1 1 5  22 31 o 0 44.4   6.4   ?    ?   359.446  -25.0413     147.224    -25.0413     32.0398     154.959      
1 1 1 5  22 32 o 0 7.5    5.3   ?    ?   39.8543  -178.452     34.3957    -178.452     16.6679     -178.452     
1 1 1 5  23 0  o 0 39.2   8.6   ?    ?   360.171  90           158.483    90           66.4405     -90          
1 1 1 5  23 1  o 0 232.4  17    ?    ?   778.822  164.714      324.611    164.714      160.959     -15.2856     
1 1 1 5  23 2  o 0 464.8  33.5  ?    ?   685.592  -18.3341     719.213    -18.3341     292.723     -18.3341     
1 1 1 5  23 3  o 0 141.3  13.1  ?    ?   489.96   21.3642      306.651    21.3642      0.425753    -158.636     
1 1 1 5  23 4  o 0 33.7   7.1   ?    ?   229.239  -93.5349     92.0766    -93.5349     51.1157     86.4651      
1 1 1 5  23 5  o 0 134.1  16.1  ?    ?   358.388  112.443      356.259    112.443      133.262     112.443      
1 1 1 5  23 6  o 0 420.5  36.9  ?    ?   866.735  -46.8077     540.428    -46.8077     3.48511     -46.8077     
1 1 1 5  23 7  o 0 56.1   8.1   ?    ?   254.721  155.193      177.233    155.193      20.201      155.193      
1 1 1 5  23 8  o 0 44.4   7     ?    ?   399.068  -34.1575     69.3514    -34.1575     175.356     145.843      
1 1 1 5  23 9  o 0 14.2   5     ?    ?   98.7389  65.0619      0.130027   65.0619      60.0647     -114.938     
1 1 1 5  23 10 o 0 65.6   7.3   ?    ?   450.189  -27.9285     128.306    -27.9285     138.937     152.072      
1 1 1 5  23 11 o 0 727.6  51.1  ?    ?   930.763  -112.903     830.964    -112.903     282.155     -112.903     
1 1 1 5  23 12 o 0 158.7  15.4  ?    ?   528.453  167.031      316.935    167.031      7.57898     167.031      
1 1 1 5  23 13 o 0 33     7.1   ?    ?   261.56   42.8266      87.0934    42.8266      64.8539     -137.173     
1 1 1 5  23 14 o 0 26.1   11.7  ?    ?   203.954  109.236      71.3791    109.236      39.8663     -70.7636     
1 1 1 5  23 15 o 0 65.3   9.6   ?    ?   439.384  -27.2614     142.696    -27.2614     94.9082     152.739      
1 1 1 5  23 16 o 0 26     6.5   ?    ?   291.618  -94.2456     54.2208    -94.2456     102.05      85.7544      
1 1 1 5  23 17 o 0 0.2    7.1   ?    ?   138.301  104.457      34.1269    -75.5435     104.947     -75.5435     
1 1 1 5  23 18 o 0 26.7   6.2   ?    ?   202.378  -115.239     90.539     -115.239     12.0526     64.7608      
1 1 1 5  23 19 o 0 13.4   6.7   ?    ?   212.754  105.071      15.2559    105.071      89.9797     -74.9291     
1 1 1 5  23 20 f 1 334.9  33.4  ?    ?   441.006  -162.756     624.585    -162.756     409.414     -162.756     
1 1 1 5  23 21 o 0 -0.4   7.2   ?    ?   133.361  36.337       26.1781    -143.663     93.6358     -143.663     
1 1 1 5  23 22 o 0 1      8.1   ?    ?   57.208   -157.994     7.34429    22.006       42.821      22.006       
1 1 1 5  23 23 o 0 -0.3   9.3   ?    ?   49.2468  45.3982      0.0467349  -134.602     30.8063     -134.602     
1 1 1 5  23 24 o 0 93.8   12.6  ?    ?   477.474  46.623       231.007    46.623       63.925      -133.377     
1 1 1 5  23 25 o 0 38.9   5.9   ?    ?   211.944  -106.206     184.584    -106.206     55.4745     -106.206     
1 1 1 5  23 26 o 0 0.4    4     ?    ?   84.8678  -13.1178     21.1918    166.882      71.0398     166.882      
1 1 1 5  23 27 o 0 41.9   5.6   ?    ?   283.391  -138.875     169.392    -138.875     9.95589     -138.875     
1 1 1 5  23 28 o 0 96.4   9     ?    ?   491.861  -154.28      239.915    -154.28      29.4151     25.72        
1 1 1 5  23 29 o 0 -8.6   4.8   ?    ?   82.265   50.4332      21.8814    -129.567     63.7057     -129.567     
1 1 1 5  23 30 o 0 0.8    6.3   ?    ?   96.3212  49.0883      6.71941    49.0883      41.4291     -130.912     
1 1 1 5  23 31 o 0 1.3    5.5   ?    ?   100.323  -115.046     16.4553    -115.046     28.2989     64.9537      
1 1 1 5  24 0  o 0 4.1    7.5   ?    ?   36.1759  90           3.13272    90           19.3084     -90          
1 1 1 5  24 1  o 0 83.2   9.1   ?    ?   420.79   -74.339      191.832    -74.339      68.8391     105.661      
1 1 1 5  24 2  o 0 234.9  18.6  ?    ?   540.735  44.9975      457.827    44.9975      123.517     44.9975      
1 1 1 5  24 3  o 0 125.7  14.7  ?    ?   551.88   -145.063     229.898    -145.063     110.427     34.9374      
1 1 1 5  24 4  o 0 7      12.5  ?    ?   105.64   80.2951      12.9203    -99.7049     77.8605     -99.7049     
1 1 1 5  24 5  o 0 69.4   8.4   ?    ?   468.182  -126.69      132.12     -126.69      148.86      53.3099      
1 1 1 5  24 6  o 0 17.2   7.9   ?    ?   37.3063  -56.9119     9.62412    -56.9119     12.6713     123.088      
1 1 1 5  24 7  o 0 25.6   6.3   ?    ?   141.457  -158.271     70.2943    -158.271     13.8466     21.7294      
1 1 1 5  24 8  o 0 155.4  14.7  ?    ?   543.065  48.0626      305.765    48.0626      15.5779     -131.937     
1 1 1 5  24 9  o 0 68.6   8.6   ?    ?   301.244  -108.577     207.923    -108.577     30.6864     -108.577     
1 1 1 5  24 10 o 0 60.4   8     ?    ?   278.358  39.054       189.052    39.054       26.2918     39.054       
1 1 1 5  24 11 o 0 110.8  11.5  ?    ?   353.503  -11.5549     311.424    -11.5549     117.068     -11.5549     
1 1 1 5  24 12 f 1 208.2  20.4  ?    ?   510.187  -177.968     431.268    -177.968     153.485     -177.968     
1 1 1 5  24 13 o 0 36.9   7.9   ?    ?   208.915  56.8169      129.647    56.8169      16.4733     56.8169      
1 1 1 5  24 14 o 0 32.1   8.5   ?    ?   403.365  -104.841     45.5443    -104.841     163.563     75.1595      
1 1 1 5  24 15 o 0 398.8  32    ?    ?   913.359  -160.917     502.248    -160.917     32.8168     -160.917     
1 1 1 5  24 16 o 0 18.4   6.1   ?    ?   205.991  -59.6397     41.4131    -59.6397     63.498      120.36       
1 1 1 5  24 17 o 0 1      5.6   ?    ?   145.95   39.7327      36.6287    -140.267     109.229     -140.267     
1 1 1 5  24 18 o 0 73.7   10.2  ?    ?   392.654  -101.383     195.341    -101.383     1.99003     -101.383     
1 1 1 5  24 19 o 0 72.7   9.4   ?    ?   352.101  99.2013      203.759    99.2013      24.2913     99.2013      
1 1 1 5  24 20 f 1 15.2   8.8   ?    ?   281.349  43.9461      5.00221    43.9461      170.537     -136.054     
1 1 1 5  24 21 o 0 39.4   9.8   ?    ?   167.822  -113.729     202.246    -113.729     96.4025     -113.729     
1 1 1 5  24 22 o 0 20.3   10.3  ?    ?   139.316  124.057      91.1275    124.057      4.33332     124.057      
1 1 1 5  24 23 o 0 138.6  16.8  ?    ?   461.33   29.5499      352.894    29.5499      68.5212     29.5499      
1 1 1 5  24 24 o 0 31.6   12    ?    ?   177.924  -132.63      146.391    -132.63      40.5263     -132.63      
1 1 1 5  24 25 f 1 56.9   8.6   ?    ?   290.992  -120.878     217.517    -120.878     47.217      -120.878     
1 1 1 5  24 26 o 0 8.2    6.9   ?    ?   89.6522  -136.715     30.3342    -136.715     20.0781     43.285       
1 1 1 5  24 27 o 0 -2.7   4.4   ?    ?   89.4707  1.98903      21.8916    -178.011     70.8844     -178.011     
1 1 1 5  24 28 o 0 157.8  12.3  ?    ?   635.607  42.4494      319.955    42.4494      3.37626     -137.551     
1 1 1 5  24 29 o 0 120.7  10.6  ?    ?   505.515  138.179      321.036    138.179      91.2723     138.179      
1 1 1 5  25 0  o 0 49.7   11.1  ?    ?   166.326  -90          149.245    -90          49.9255     -90          
1 1 1 5  25 1  o 0 51.9   10    ?    ?   177.571  34.8501      186.607    34.8501      80.6925     34.8501      
1 1 1 5  25 2  o 0 223.7  21.9  ?    ?   635.204  174.315      384.94     174.315      6.72945     174.315      
1 1 1 5  25 3  o 0 57.8   9.3   ?    ?   236.625  -95.4208     197.055    -95.4208     56.4953     -95.4208     
1 1 1 5  25 4  o 0 26.8   6.3   ?    ?   239.319  68.157       64.994     68.157       76.7505     -111.843     
1 1 1 5  25 5  o 0 11.2   5.7   ?    ?   205.863  -149.033     14.0016    30.9669      129.016     30.9669      
1 1 1 5  25 6  o 0 474.7  37.8  ?    ?   1025.81  152.043      538.408    152.043      32.3971     -27.9573     
1 1 1 5  25 7  o 0 99.9   14.6  ?    ?   306.185  130.619      304.745    130.619      135.146     130.619      
1 1 1 5  25 8  o 0 66.8   9.7   ?    ?   287.523  70.2464      218.371    70.2464      59.9171     70.2464      
1 1 1 5  25 9  o 0 20.3   5.6   ?    ?   210.554  177.184      48.4235    177.184      66.9645     -2.81584     
1 1 1 5  25 10 o 0 75.1   9.1   ?    ?   344.359  104.374      217.541    104.374      29.9738     104.374      
1 1 1 5  25 11 o 0 116    11.4  ?    ?   632.596  -0.755791    196.011    -0.755791    134.229     179.244      
1 1 1 5  25 12 o 0 39.8   5.4   ?    ?   269.867  -176.613     134.699    -176.613     5.18476     3.38743      
1 1 1 5  25 13 o 0 21.4   19.7  ?    ?   25.9268  -109.041     18.2701    -109.041     4.93293     -109.041     
1 1 1 5  25 14 o 0 38.5   8     ?    ?   160.663  111.619      157.391    111.619      76.5472     111.619      
1 1 1 5  25 15 o 0 134.1  17.1  ?    ?   651.597  163.871      221.435    163.871      103.629     -16.1286     
1 1 1 5  25 16 o 0 39.7   8.4   ?    ?   27.3889  26.2963      54.548     26.2963      41.0084     26.2963      
1 1 1 5  25 17 o 0 -3.2   6.6   ?    ?   70.6138  -136.826     22.6344    43.1736      67.5213     43.1736      
1 1 1 5  25 18 o 0 14.9   6.4   ?    ?   137.539  15.1571      49.6292    15.1571      36.9173     -164.843     
1 1 1 5  25 19 o 0 35.1   12.4  ?    ?   246.819  20.9389      136.413    20.9389      20.3403     -159.061     
1 1 1 5  25 20 o 0 34     9.4   ?    ?   218.371  1.77051      154.977    1.77051      17.8377     1.77051      
1 1 1 5  25 21 o 0 -5.3   10.5  ?    ?   41.7466  113.125      0.737399   -66.8747     26.705      -66.8747     
1 1 1 5  25 22 o 0 1.6    9.1   ?    ?   107.451  -122.73      7.87136    -122.73      56.7135     57.2701      
1 1 1 5  25 23 f 1 29.8   10.9  ?    ?   114.8    30.5791      154.206    30.5791      86.2623     30.5791      
1 1 1 5  25 24 o 0 34.7   9.6   ?    ?   186.51   67.1979      173.41     67.1979      67.2316     67.1979      
1 1 1 5  25 25 o 0 5.9    7.2   ?    ?   47.2977  -3.32281     19.363     -3.32281     6.88727     176.677      
1 1 1 5  25 26 o 0 4.1    7.1   ?    ?   50.1326  110.121      13.332     110.121      14.0879     -69.8788     
1 1 1 5  25 27 o 0 23.7   7.5   ?    ?   215.88   -65.7402     109.42     -65.7402     0.329624    114.26       
1 1 1 5  25 28 o 0 21.7   6.7   ?    ?   161.967  -44.632      131.188    -44.632      57.5774     -44.632      
1 1 1 5  26 0  f 1 12.3   8.8   ?    ?   31.6359  90           7.35073    90           10.1563     -90          
1 1 1 5  26 1  o 0 55.1   10.3  ?    ?   191.685  89.7117      206.653    89.7117      100.398     89.7117      
1 1 1 5  26 2  o 0 351.2  29.5  ?    ?   790.632  -157.837     506.562    -157.837     68.9708     -157.837     
1 1 1 5  26 3  f 1 79.9   11.1  ?    ?   308.129  83.2765      249.463    83.2765      79.7247     83.2765      
1 1 1 5  26 4  o 0 2.3    5.7   ?    ?   115.954  -17.29       29.7651    162.71       91.3803     162.71       
1 1 1 5  26 5  o 0 26.5   6.4   ?    ?   220.841  65.6157      90.0832    65.6157      26.8792     -114.384     
1 1 1 5  26 6  o 0 338.3  25.8  ?    ?   746.361  127.427      524.787    127.427      131.022     127.427      
1 1 1 5  26 7  o 0 118.2  16.7  ?    ?   489.768  30.9584      268.466    30.9584      11.2137     30.9584      
1 1 1 5  26 8  f 1 74     15.1  ?    ?   480.966  -67.6297     155.615    -67.6297     95.1194     112.37       
1 1 1 5  26 9  o 0 15.7   5.5   ?    ?   243.075  156.464      16.7017    156.464      109.648     -23.5357     
1 1 1 5  26 10 o 0 49.4   7.4   ?    ?   298.514  43.9577      165.468    43.9577      13.3691     43.9577      
1 1 1 5  26 11 o 0 185.6  17.2  ?    ?   517.067  66.6664      392.58     66.6664      130.839     66.6664      
1 1 1 5  26 12 o 0 50.8   7.5   ?    ?   386.778  -84.8522     131.323    -84.8522     63.0919     95.1478      
1 1 1 5  26 13 o 0 2.1    2.1   ?    ?   141.571  -145.648     49.2239    34.3518      119.849     34.3518      
1 1 1 5  26 14 o 0 -1.7   10.8  ?    ?   51.3624  134.391      2.28846    -45.6095     28.8791     -45.6095     
1 1 1 5  26 15 o 0 151.1  18.9  ?    ?   398.048  48.2485      443.495    48.2485      189.945     48.2485      
1 1 1 5  26 16 o 0 6.8    10.2  ?    ?   47.8719  50.3552      16.1268    50.3552      14.6985     -129.645     
1 1 1 5  26 17 o 0 7.8    11.4  ?    ?   106.125  -149.859     31.8569    -149.859     35.8231     30.1408      
1 1 1 5  26 18 o 0 -5.8   11.9  ?    ?   34.809   -132.083     2.28696    -132.083     19.7357     47.9166      
1 1 1 5  26 19 o 0 115.2  18.7  ?    ?   437.676  -129.713     306.024    -129.713     32.0669     -129.713     
1 1 1 5  26 20 o 0 30     12.7  ?    ?   66.8845  139.433      132.595    139.433      92.0975     139.433      
1 1 1 5  26 21 f 1 11.9   9     ?    ?   149.42   44.247       47.9115    44.247       41.2679     -135.753     
1 1 1 5  26 22 o 0 35     12.6  ?    ?   145.005  -75.208      173.044    -75.208      89.7076     -75.208      
1 1 1 5  26 23 o 0 19.9   9.7   ?    ?   213.712  -73.5707     77.7141    -73.5707     42.1599     106.429      
1 1 1 5  26 24 f 1 47.5   12.1  ?    ?   266.468  -170.746     185.193    -170.746     38.1116     -170.746     
1 1 1 5  26 25 o 0 19.2   8.3   ?    ?   212.292  -14.1173     80.9982    -14.1173     28.3221     165.883      
1 1 1 5  26 26 o 0 -3.1   7.8   ?    ?   57.646   98.1047      16.4871    98.1047      10.0812     -81.8953     
1 1 1 5  27 0  o 0 10.1   9.5   ?    ?   19.551   -90          3.96134    -90          6.30241     90           
1 1 1 5  27 1  o 0 37.7   9.6   ?    ?   189.184  -0.954025    144.203    -0.954025    44.9545     -0.954025    
1 1 1 5  27 2  o 0 46     9.4   ?    ?   167.612  -139.683     180.31     -139.683     92.4947     -139.683     
1 1 1 5  27 3  o 0 32.4   8.9   ?    ?   236.267  130.077      118.702    130.077      3.1295      -49.9231     
1 1 1 5  27 4  o 0 -9.9   7.4   ?    ?   26.5258  -21.5733     8.72463    158.427      22.3679     158.427      
1 1 1 5  27 5  f 1 2.4    5.9   ?    ?   220.896  52.8996      53.4825    -127.1       166.451     -127.1       
1 1 1 5  27 6  o 0 111.7  12.7  ?    ?   645.449  -122.624     182.568    -122.624     147.15      57.3762      
1 1 1 5  27 7  o 0 72.8   8.9   ?    ?   269.045  -159.823     251.573    -159.823     114.722     -159.823     
1 1 1 5  27 8  o 0 22.9   9.2   ?    ?   119.462  34.1042      73.9737    34.1042      13.5008     34.1042      
1 1 1 5  27 9  o 0 0.4    5.3   ?    ?   49.7986  -121.481     13.2057    58.5186      38.2792     58.5186      
1 1 1 5  27 10 o 0 76.5   8.8   ?    ?   392.133  -38.2144     202.29     -38.2144     3.0483      141.786      
1 1 1 5  27 11 o 0 48.7   7.2   ?    ?   321.494  -36.1994     181.922    -36.1994     25.6602     143.801      
1 1 1 5  27 12 o 0 64.5   8.7   ?    ?   228.8    20.0861      289.387    20.0861      142.682     20.0861      
1 1 1 5  27 13 o 0 3.3    2.6   ?    ?   88.6864  159.284      24.245     -20.7155     81.8208     -20.7155     
1 1 1 5  27 14 o 0 57.4   13.3  ?    ?   270.882  11.9173      232.609    11.9173      58.1578     11.9173      
1 1 1 5  27 15 o 0 109    16.6  ?    ?   265.509  97.4328      399.434    97.4328      229.901     97.4328      
1 1 1 5  27 16 o 0 31.5   12.2  ?    ?   232.1    157.076      124.185    157.076      22.996      -22.9245     
1 1 1 5  27 17 o 0 27.5   11.5  ?    ?   120.811  -123.517     138.059    -123.517     62.1834     -123.517     
1 1 1 5  27 18 o 0 80     15.5  ?    ?   368.924  144.495      249.38     144.495      25.0077     144.495      
1 1 1 5  27 19 o 0 27.9   11.7  ?    ?   232.161  -97.2354     104.137    -97.2354     35.5532     82.7646      
1 1 1 5  27 20 o 0 30.7   9.7   ?    ?   357.255  -67.1274     67.1948    -67.1274     139.489     112.873      
1 1 1 5  27 21 o 0 10.9   19.4  ?    ?   69.4915  -177.742     72.4656    -177.742     33.1851     -177.742     
1 1 1 5  27 22 o 0 39.5   10.5  ?    ?   252.979  -83.8448     164.29     -83.8448     23.0535     -83.8448     
1 1 1 5  27 23 o 0 19.4   9.8   ?    ?   191.079  -100.488     87.6608    -100.488     11.7189     79.5116      
1 1 1 5  27 24 o 0 33.2   9.6   ?    ?   229.268  118.041      159.692    118.041      52.8491     118.041      
1 1 1 5  27 25 o 0 41.6   8.9   ?    ?   310.672  64.5827      168.61     64.5827      25.8628     64.5827      
1 1 1 5  28 0  f 1 0.8    8.8   ?    ?   192.806  -90          20.9543    -90          81.1125     90           
1 1 1 5  28 1  o 0 33.8   9.5   ?    ?   135.694  -175.851     144.364    -175.851     72.3803     -175.851     
1 1 1 5  28 2  o 0 173.4  16.4  ?    ?   601.699  5.02579      316.97     5.02579      1.86161     -174.974     
1 1 1 5  28 3  o 0 62.3   9     ?    ?   382.07   -6.64788     165.901    -6.64788     36.1981     173.352      
1 1 1 5  28 4  o 0 4.2    6     ?    ?   100.072  121.688      11.7568    -58.3123     64.5657     -58.3123     
1 1 1 5  28 5  o 0 3.4    6.3   ?    ?   41.6212  -47.6267     5.73418    132.373      32.9112     132.373      
1 1 1 5  28 6  o 0 59.7   10.1  ?    ?   293.604  -99.0605     240.992    -99.0605     49.9593     -99.0605     
1 1 1 5  28 7  o 0 159.3  16.4  ?    ?   508.921  171.689      409.153    171.689      79.389      171.689      
1 1 1 5  28 8  o 0 71.9   11.2  ?    ?   308.098  121.975      277.589    121.975      74.8874     121.975      
1 1 1 5  28 9  o 0 15.8   11.4  ?    ?   186.857  -175.662     57.4741    -175.662     64.8173     4.33809      
1 1 1 5  28 10 o 0 137.9  17.2  ?    ?   451.47   -167.26      378.96     -167.26      85.1998     -167.26      
1 1 1 5  28 11 o 0 107.3  11.8  ?    ?   495.592  -39.2318     273.843    -39.2318     46.5838     140.768      
1 1 1 5  28 12 o 0 22.6   4.7   ?    ?   161.025  61.6311      126.904    61.6311      23.2819     61.6311      
1 1 1 5  28 13 f 1 1.9    2.9   ?    ?   60.1012  -155.994     18.5832    24.0059      56.8739     24.0059      
1 1 1 5  28 14 f 1 13.2   3.2   ?    ?   344.063  63.4297      28.3365    -116.57      245.797     -116.57      
1 1 1 5  28 15 o 0 18.4   11.5  ?    ?   150.884  61.5748      86.9628    61.5748      5.77492     -118.425     
1 1 1 5  28 16 o 0 8      11.2  ?    ?   65.2143  45.6968      35.0901    45.6968      4.63031     -134.303     
1 1 1 5  28 17 o 0 7.7    10.3  ?    ?   59.1742  3.65503      31.9897    3.65503      2.72169     -176.345     
1 1 1 5  28 18 o 0 -3     11.7  ?    ?   237.341  -15.3387     28.4235    164.661      166.238     164.661      
1 1 1 5  28 19 o 0 7      12.4  ?    ?   56.6023  -58.206      40.6081    -58.206      8.46        -58.206      
1 1 1 5  28 21 o 0 -1.4   11    ?    ?   31.2183  -70.7703     14.1236    -70.7703     2.22713     109.23       
1 1 1 5  28 22 o 0 0      10.9  ?    ?   91.3196  -171.561     43.7769    -171.561     0.87315     -171.561     
1 1 1 5  28 23 o 0 16.5   9.9   ?    ?   172.871  -140.465     86.5668    -140.465     6.39677     -140.465     
1 1 1 5  29 0  o 0 53.9   28.4  ?    ?   54.1023  90           92.133     90           56.5385     90           
1 1 1 5  29 1  o 0 55.3   9     ?    ?   126.677  -161.554     294.117    -161.554     210.799     -161.554     
1 1 1 5  29 2  o 0 66     9.1   ?    ?   303.394  -52.5131     261.037    -52.5131     61.6757     -52.5131     
1 1 1 5  29 3  o 0 61.2   9.1   ?    ?   251.09   -65.9561     270.69     -65.9561     105.956     -65.9561     
1 1 1 5  29 4  o 0 16.8   6.5   ?    ?   131.233  -12.9953     79.8634    -12.9953     6.04717     167.005      
1 1 1 5  29 5  o 0 58.1   8.6   ?    ?   296.716  -85.8396     232.817    -85.8396     39.118      -85.8396     
1 1 1 5  29 6  o 0 108.4  12.6  ?    ?   429.685  12.2845      317.591    12.2845      38.0402     12.2845      
1 1 1 5  29 7  o 0 188.7  17.2  ?    ?   487.429  97.8124      475.619    97.8124      159.067     97.8124      
1 1 1 5  29 8  o 0 21.2   7.1   ?    ?   139.937  142.841      113.887    142.841      23.422      142.841      
1 1 1 5  29 9  o 0 32.5   16.1  ?    ?   190.613  106.929      138.872    106.929      16.2769     106.929      
1 1 1 5  29 10 o 0 9      12    ?    ?   216.917  133.964      13.8073    133.964      124.911     -46.0357     
1 1 1 5  29 11 o 0 29.4   5.6   ?    ?   136.012  -84.3409     177.854    -84.3409     93.2957     -84.3409     
1 1 1 5  29 12 o 0 12.6   4.3   ?    ?   179.691  -69.8907     49.3474    -69.8907     61.606      110.109      
1 1 1 5  29 13 o 0 3.4    3.3   ?    ?   25.2139  -8.07796     2.85585    171.922      18.3101     171.922      
1 1 1 5  29 14 o 0 12     2.7   ?    ?   51.894   -132.371     50.1306    -132.371     19.4456     -132.371     
1 1 1 5  29 15 o 0 29.9   8     ?    ?   322.681  -10.6251     92.3063    -10.6251     96.8828     169.375      
1 1 1 5  29 16 o 0 19.1   7.7   ?    ?   288.442  -61.9788     44.1419    -61.9788     121.553     118.021      
1 1 1 5  29 17 o 0 9.7    13.5  ?    ?   46.1237  2.18506      43.5499    2.18506      17.3072     2.18506      
1 1 1 5  29 18 o 0 6.2    11.3  ?    ?   150.099  33.6392      44.5422    33.6392      35.2392     -146.361     
1 1 1 5  29 19 o 0 83.8   17.4  ?    ?   413.79   91.4278      228.101    91.4278      10.5073     91.4278      
1 1 1 5  29 20 o 0 -3.9   12.4  ?    ?   109.715  -113.713     39.6283    -113.713     12.1834     66.2869      
1 1 1 5  30 0  o 0 21.4   21.3  ?    ?   60.2565  90           43.5142    90           4.64276     90           
1 1 1 5  30 1  o 0 32.8   10.5  ?    ?   155.107  83.3834      171.323    83.3834      71.2736     83.3834      
1 1 1 5  30 2  o 0 241.6  23.7  ?    ?   659.416  173.578      459.922    173.578      34.8981     173.578      
1 1 1 5  30 3  o 0 29.8   7.6   ?    ?   258.069  -154.469     121.19     -154.469     44.915      25.5313      
1 1 1 5  30 4  o 0 4      6.2   ?    ?   77.1767  -99.1902     5.13812    -99.1902     43.3584     80.8098      
1 1 1 5  30 5  o 0 7.8    5.9   ?    ?   157.951  -127.517     13.6234    -127.517     85.3683     52.4833      
1 1 1 5  30 6  f 1 67.4   9.2   ?    ?   384.317  49.4281      218.656    49.4281      20.8065     -130.572     
1 1 1 5  30 7  o 0 23.2   6.6   ?    ?   297.077  14.4669      68.6847    14.4669      116.184     -165.533     
1 1 1 5  30 8  o 0 33.3   7     ?    ?   167.381  -125.59      186.525    -125.59      82.8267     -125.59      
1 1 1 5  30 9  o 0 24.4   16.3  ?    ?   149.256  17.3862      116.972    17.3862      27.5049     17.3862      
1 1 1 5  30 10 o 0 26.8   9.6   ?    ?   135.078  -126.773     147.957    -126.773     67.4412     -126.773     
1 1 1 5  30 11 o 0 61.3   9.8   ?    ?   206.669  167.777      286.886    167.777      164.455     167.777      
1 1 1 5  30 12 f 1 29.4   5.8   ?    ?   354.178  13.0644      78.7107    13.0644      129.16      -166.936     
1 1 1 5  30 13 o 0 2      3.6   ?    ?   82.9166  -8.49082     9.99812    171.509      57.8845     171.509      
1 1 1 5  30 14 o 0 0.8    3.9   ?    ?   98.3629  -81.1896     17.244     98.8104      73.6053     98.8104      
1 1 1 5  30 15 o 0 38.8   9     ?    ?   189.187  172.976      207.432    172.976      105.988     172.976      
1 1 1 5  30 16 o 0 19.7   8     ?    ?   198.934  -77.1319     93.382     -77.1319     12.3327     102.868      
1 1 1 5  30 17 o 0 -2.8   7.3   ?    ?   53.349   -134.488     14.7806    -134.488     10.7226     45.5121      
1 1 1 5  30 18 o 0 14.2   7.7   ?    ?   133.826  17.3328      91.2648    17.3328      27.9353     17.3328      
1 1 1 5  31 0  o 0 7.1    9.4   ?    ?   99.0034  -90          31.7682    -90          27.625      90           
1 1 1 5  31 1  f 1 19.6   9.5   ?    ?   256.002  -98.8153     56.6766    -98.8153     96.5185     81.1847      
1 1 1 5  31 2  o 0 37.6   10.8  ?    ?   221.97   97.6467      177.354    97.6467      44.2593     97.6467      
1 1 1 5  31 4  o 0 3.9    6.6   ?    ?   114.171  -149.006     6.73703    -149.006     61.5091     30.9938      
1 1 1 5  31 5  o 0 62     9.3   ?    ?   309.165  75.4695      241.005    75.4695      56.6588     75.4695      
1 1 1 5  31 6  o 0 74.2   10.7  ?    ?   237.049  -80.7018     317.383    -80.7018     176.476     -80.7018     
1 1 1 5  31 7  o 0 76.5   10.6  ?    ?   405.809  -107.387     238.663    -107.387     1.05639     -107.387     
1 1 1 5  31 8  o 0 50     9.9   ?    ?   242.151  117.515      227.3      117.515      86.1275     117.515      
1 1 1 5  31 9  o 0 8.5    6.4   ?    ?   45.239   117.408      27.8679    117.408      1.62299     117.408      
1 1 1 5  31 10 o 0 44.6   12.6  ?    ?   273.309  103.282      173.23     103.282      15.5414     103.282      
1 1 1 5  31 11 o 0 85.6   12.5  ?    ?   387.517  -22.82       279.539    -22.82       69.8154     -22.82       
1 1 1 5  31 12 o 0 15.2   5.1   ?    ?   162.391  -155.721     89.9229    -155.721     2.62077     -155.721     
1 1 1 5  31 13 o 0 2.6    4     ?    ?   40.1196  14.1931      3.26499    14.1931      18.148      -165.807     
1 1 1 5  31 14 o 0 9.4    3.2   ?    ?   139.859  -89.0456     68.4106    -89.0456     1.14114     -89.0456     
1 1 1 5  31 15 o 0 19.2   4.2   ?    ?   261.681  -147.975     95.7044    -147.975     29.1075     32.0252      
1 1 1 5  32 0  o 0 28.9   10.2  ?    ?   114.991  -90          124        -90          57.3776     -90          
1 1 1 5  32 1  o 0 11.9   6.6   ?    ?   155.384  -12.2957     53.6591    -12.2957     36.3879     167.704      
1 1 1 5  32 2  o 0 29     10.1  ?    ?   176.585  -5.60426     145.353    -5.60426     43.0624     -5.60426     
1 1 1 5  32 3  o 0 2.2    6.7   ?    ?   13.1312  -51.0548     4.33196    -51.0548     2.83899     128.945      
1 1 1 5  32 4  o 0 15.3   6.9   ?    ?   210.012  -13.5358     67.3156    -13.5358     47.1759     166.464      
1 1 1 5  32 5  o 0 7      6.6   ?    ?   38.9797  2.49806      25.5598    2.49806      4.35902     2.49806      
1 1 1 5  32 6  o 0 39.5   8.1   ?    ?   171.963  -72.8708     221.414    -72.8708     128.162     -72.8708     
1 1 1 5  32 7  o 0 12.4   7.6   ?    ?   173.4    94.9932      57.9443    94.9932      35.7511     -85.0068     
1 1 1 5  32 8  o 0 7.9    6.9   ?    ?   162.937  129.797      32.5379    129.797      55.1361     -50.203      
1 1 1 5  32 9  o 0 1.5    5.5   ?    ?   52.734   163.339      17.2622    163.339      8.38601     -16.6613     
1 1 1 5  32 10 o 0 8.1    5.6   ?    ?   150.688  46.6937      49.0329    46.6937      23.8632     -133.306     
1 1 1 5  32 11 o 0 53.4   12.7  ?    ?   323.98   4.59922      202.113    4.59922      46.3209     4.59922      
1 1 1 5  33 0  o 0 8.6    9.2   ?    ?   17.003   90           10.036     90           1.79454     90           
1 1 1 5  33 1  o 0 13.5   7.1   ?    ?   143.02   67.0769      87.6415    67.0769      18.2904     67.0769      
1 1 1 5  33 2  o 0 50.4   12.9  ?    ?   355.041  -177.926     175.16     -177.926     3.0431      -177.926     
1 1 1 5  33 3  o 0 59     12.5  ?    ?   287.417  -102.978     243.349    -102.978     104.141     -102.978     
1 1 1 5  33 4  o 0 -1     6.7   ?    ?   71.2364  3.97484      17.8296    3.97484      16.6193     -176.025     
1 1 1 6  0  0  o 0 1170.9 213.7 ?    ?   1159.95  1.95174e-14  1163.8     0            228.149     -8.00415e-14 
1 1 1 6  0  1  o 0 12     1.8   ?    ?   44.234   -90          11.8601    -90          23.1259     90           
1 1 1 6  0  2  f 1 1.9    0.8   ?    ?   18.8817  0            0.637215   0            13.7101     180          
1 1 1 6  0  3  o 0 51     6.8   ?    ?   404.21   90           223.571    90           79.3809     -90          
1 1 1 6  0  5  o 0 63.1   8.7   ?    ?   204.361  -90          199.094    -90          49.5835     -90          
1 1 1 6  0  6  o 0 18.7   3.1   ?    ?   109.646  0            40.7055    0            38.8521     180          
1 1 1 6  0  7  f 1 175.4  18.7  ?    ?   277.75   -90          382.942    -90          197.192     -90          
1 1 1 6  0  8  o 0 19.7   2.7   ?    ?   105.601  180          38.2743    180          32.1746     8.34695e-15  
1 1 1 6  0  9  o 0 31.7   3.9   ?    ?   401.354  -90          147.497    -90          119.127     90           
1 1 1 6  0  10 o 0 19.1   2.5   ?    ?   233.79   180          78.082     180          86.0448     6.36737e-15  
1 1 1 6  0  11 o 0 17.8   2.5   ?    ?   111.162  90           38.1304    90           39.6154     -90          
1 1 1 6  0  12 o 0 906.5  83    ?    ?   1688.25  -180         914.399    180          261.699     3.11825e-14  
1 1 1 6  0  14 o 0 27.9   4.1   ?    ?   438.344  1.3634e-15   157.923    0            160.377     -180         
1 1 1 6  0  15 o 0 30     4.5   ?    ?   99.4868  -90          63.2746    -90          8.57833     90           
1 1 1 6  0  16 o 0 22.7   4.5   ?    ?   86.0904  180          41.3653    180          20.4373     1.42019e-14  
1 1 1 6  0  17 o 0 75.9   9.4   ?    ?   266.344  -90          256.53     -90          66.6138     -90          
1 1 1 6  0  18 o 0 127.5  14.7  ?    ?   695.836  3.9627e-16   338.557    0            126.757     -180         
1 1 1 6  0  19 o 0 44.3   6.6   ?    ?   250.654  -90          163.203    -90          3.81049     90           
1 1 1 6  0  20 o 0 492.8  52.6  ?    ?   787.228  -1.71866e-15 652.446    0            132.608     6.73731e-15  
1 1 1 6  0  21 o 0 185.7  24.9  ?    ?   898.531  90           396.701    90           190.864     -90          
1 1 1 6  0  22 o 0 599.5  55.4  ?    ?   1132.95  180          707.389    180          33.4931     1.48196e-13  
1 1 1 6  0  23 o 0 51.8   7.6   ?    ?   235.073  90           169.567    90           17.5744     90           
1 1 1 6  0  24 o 0 19.7   6.7   ?    ?   267.51   -180         71.6102    180          86.8596     7.52582e-15  
1 1 1 6  0  25 o 0 27.5   6.3   ?    ?   275.662  -90          101.483    -90          60.2214     90           
1 1 1 6  0  26 o 0 99.3   11.8  ?    ?   161.62   180          206.225    180          112.702     180          
1 1 1 6  0  27 o 0 27.1   8.8   ?    ?   463.177  90           115.62     90           147.998     -90          
1 1 1 6  0  28 o 0 291.7  33.4  ?    ?   502.33   -2.68747e-16 421.599    0            140         5.40562e-16  
1 1 1 6  0  29 o 0 16.2   10.5  ?    ?   355.28   90           60.028     90           138.251     -90          
1 1 1 6  0  30 o 0 140.1  21.5  ?    ?   758.986  -2.19063e-15 299.231    0            148.251     180          
1 1 1 6  0  31 o 0 206.5  26.3  ?    ?   990.388  -90          357.874    -90          215.952     90           
1 1 1 6  0  32 o 0 85.7   15.3  ?    ?   368.811  1.29632e-16  224.42     0            18.8028     -1.41758e-15 
1 1 1 6  0  33 o 0 87.5   15.4  ?    ?   210.856  -90          216.995    -90          107.803     -90          
1 1 1 6  0  34 o 0 52.1   11.4  ?    ?   287.152  0            164.654    0            23.9818     0            
1 1 1 6  0  35 o 0 140.4  17.2  ?    ?   421.111  -90          272.822    -90          73.4903     -90          
1 1 1 6  0  36 o 0 9.1    9.2   ?    ?   237.355  180          40.6343    180          74.4501     3.82967e-15  
1 1 1 6  0  37 o 0 20.5   11.8  ?    ?   155.478  -90          81.7128    -90          11.6636     90           
1 1 1 6  0  38 f 1 83.8   16.3  ?    ?   129.46   -180         235.911    180          159.923     180          
1 1 1 6  0  39 o 0 114    18.3  ?    ?   387.436  90           273.562    90           55.6538     90           
1 1 1 6  0  40 o 0 28.6   9.6   ?    ?   251.931  1.77793e-15  124.923    0            9.59625     -180         
1 1 1 6  0  41 o 0 30.6   11.7  ?    ?   261.741  -90          120.647    -90          14.1577     90           
1 1 1 6  0  42 o 0 7.4    11    ?    ?   199.553  180          48.8832    180          45.6773     7.50919e-15  
1 1 1 6  1  0  o 0 1556.3 163.9 ?    ?   1636.57  180          1329.35    180          57.2673     -180         
1 1 1 6  1  1  o 0 552.6  45    ?    ?   876.329  60.8602      874.38     60.8602      206.78      60.8602      
1 1 1 6  1  3  o 0 648.1  52.9  ?    ?   1177.08  69.1768      755.079    69.1768      111.274     -110.823     
1 1 1 6  1  4  o 0 200    16.6  ?    ?   427.461  139.135      534.869    139.135      224.257     139.135      
1 1 1 6  1  5  o 0 509.3  46.7  ?    ?   341.258  95.0025      1104.88    95.0025      859.34      95.0025      
1 1 1 6  1  6  o 0 99.1   8.3   ?    ?   300.777  -54.6506     324.257    -54.6506     109.421     -54.6506     
1 1 1 6  1  7  o 0 136.8  10.4  ?    ?   571.404  88.9095      263.271    88.9095      114.234     -91.0905     
1 1 1 6  1  8  o 0 654.5  49    ?    ?   1112.04  4.76365      725.159    4.76365      6.52083     -175.236     
1 1 1 6  1  9  o 0 837.3  57.9  ?    ?   1320.29  108.821      781.385    108.821      84.4436     -71.1791     
1 1 1 6  1  10 o 0 127.7  9.1   ?    ?   352.415  -12.4643     375.909    -12.4643     131.468     -12.4643     
1 1 1 6  1  12 o 0 435.4  30.3  ?    ?   903.724  -47.6576     614.22     -47.6576     8.79227     132.342      
1 1 1 6  1  13 o 0 886.1  57.5  ?    ?   1344.94  -36.0974     845.481    -36.0974     78.3677     143.903      
1 1 1 6  1  14 o 0 292.4  19.2  ?    ?   830.043  128.182      481.26     128.182      116.006     -51.8178     
1 1 1 6  1  15 o 0 28.6   2.8   ?    ?   179.665  148.069      62.0356    148.069      66.6273     -31.931      
1 1 1 6  1  16 o 0 466.1  35.1  ?    ?   901.215  99.3526      709.683    99.3526      67.8313     99.3526      
1 1 1 6  1  17 o 0 436.9  36.2  ?    ?   829.754  -162.221     710.186    -162.221     122.898     -162.221     
1 1 1 6  1  18 o 0 11.7   3.7   ?    ?   232.038  166.096      55.8581    -13.904      209.954     -13.904      
1 1 1 6  1  19 o 0 46.8   5     ?    ?   357.256  40.4761      105.155    40.4761      131.352     -139.524     
1 1 1 6  1  20 o 0 181.3  15.5  ?    ?   560.58   140.546      386.709    140.546      18.7708     140.546      
1 1 1 6  1  21 o 0 25.2   4.2   ?    ?   150.211  -134.651     40.6883    -134.651     56.9827     45.3491      
1 1 1 6  1  23 o 0 207.5  15.1  ?    ?   601.852  119.113      372.233    119.113      13.1483     119.113      
1 1 1 6  1  24 o 0 210.3  14.5  ?    ?   585.239  -156.193     381.864    -156.193     36.7797     -156.193     
1 1 1 6  1  25 f 1 612    40.1  ?    ?   947.892  101.897      704.675    101.897      152.468     101.897      
1 1 1 6  1  26 o 0 120.5  10.3  ?    ?   204.319  163.854      342.653    163.854      224.901     163.854      
1 1 1 6  1  27 o 0 205.6  17.3  ?    ?   553.941  -68.0606     374.772    -68.0606     60.6877     -68.0606     
1 1 1 6  1  28 o 0 31.7   8.1   ?    ?   90.0138  -109.329     53.7511    -109.329     2.88891     -109.329     
1 1 1 6  1  29 o 0 280.7  22.4  ?    ?   588.989  -78.9557     490.507    -78.9557     142.17      -78.9557     
1 1 1 6  1  30 o 0 197.6  15.6  ?    ?   602.076  48.0007      337.995    48.0007      15.8893     -131.999     
1 1 1 6  1  31 o 0 948.4  78.4  ?    ?   1085.1   -67.2778     876.036    -67.2778     249.124     -67.2778     
1 1 1 6  1  32 o 0 93.2   11.5  ?    ?   347.43   -161.304     244.13     -161.304     50.9449     -161.304     
1 1 1 6  1  33 o 0 45.5   8.1   ?    ?   151.571  -53.8542     160.927    -53.8542     82.628      -53.8542     
1 1 1 6  1  34 o 0 48     7.5   ?    ?   355.993  -128.479     124.01     -128.479     49.9926     51.5213      
1 1 1 6  1  35 o 0 46     7.5   ?    ?   433.952  77.9983      87.7143    77.9984      117.268     -102.002     
1 1 1 6  1  36 o 0 100.1  10.1  ?    ?   446.307  126.098      220.08     126.098      4.09671     126.098      
1 1 1 6  1  37 o 0 -4     7.1   ?    ?   71.2705  3.03975      16.7928    -176.96      59.5213     -176.96      
1 1 1 6  1  38 o 0 173.8  17.2  ?    ?   395.9    -0.670688    450.328    -0.670688    217.722     -0.670688    
1 1 1 6  1  39 o 0 78.6   9.8   ?    ?   218.276  -48.271      311.845    -48.271      189.255     -48.271      
1 1 1 6  1  40 o 0 52.3   7.7   ?    ?   222.039  -110.232     224.374    -110.232     105.969     -110.232     
1 1 1 6  1  41 o 0 21.1   7.5   ?    ?   243.647  -111.029     71.7133    -111.029     53.6278     68.9706      
1 1 1 6  1  42 o 0 -6.3   7.4   ?    ?   101.083  -44.8796     5.68564    135.12       53.5359     135.12       
1 1 1 6  2  0  o 0 12     1.5   ?    ?   408.229  -180         84.2313    180          227.765     3.65936e-15  
1 1 1 6  2  1  o 0 296.1  24.2  ?    ?   614.466  128.002      632.128    128.002      171.639     128.002      
1 1 1 6  2  3  f 1 128.3  10.6  ?    ?   430.094  85.4246      352.988    85.4246      41.933      85.4246      
1 1 1 6  2  4  o 0 1562.4 127.5 ?    ?   1537     -15.1094     1342.11    -15.1094     241.018     -15.1094     
1 1 1 6  2  5  o 0 361.7  29.7  ?    ?   621.372  -136.757     706.6      -136.757     265.509     -136.757     
1 1 1 6  2  6  o 0 84.5   6.5   ?    ?   436.729  87.8976      191.36     87.8976      95.0269     -92.1024     
1 1 1 6  2  7  o 0 95.3   6.8   ?    ?   433.531  70.0949      225.153    70.0949      57.7762     -109.905     
1 1 1 6  2  8  o 0 210.4  14.8  ?    ?   556.772  70.3915      428.55     70.3915      66.4668     70.3915      
1 1 1 6  2  9  o 0 303.8  22.9  ?    ?   878.498  -10.0931     399.767    -10.0931     169.973     169.907      
1 1 1 6  2  10 o 0 396.8  27.6  ?    ?   873.62   -101.44      575.829    -101.44      23.7542     78.5596      
1 1 1 6  2  12 o 0 141.6  9.4   ?    ?   357.029  -124.472     403.968    -124.472     160.179     -124.472     
1 1 1 6  2  13 o 0 537.1  35    ?    ?   1047.16  -71.1239     648.621    -71.1239     64.1863     108.876      
1 1 1 6  2  14 o 0 196.9  13.1  ?    ?   630.237  -21.6796     414.449    -21.6796     35.1573     158.32       
1 1 1 6  2  16 f 1 208.9  16.1  ?    ?   858.318  -77.9182     286.776    -77.9182     318.247     102.082      
1 1 1 6  2  17 o 0 22.2   3.8   ?    ?   116.165  -66.4868     24.1139    -66.4868     57.5039     113.513      
1 1 1 6  2  18 o 0 639.1  52.6  ?    ?   1054.42  85.7995      774.879    85.7995      79.5042     85.7995      
1 1 1 6  2  19 o 0 19.9   4.1   ?    ?   201.903  118.239      8.7148     118.239      124.067     -61.7605     
1 1 1 6  2  20 o 0 7      3.3   ?    ?   152.065  -104.602     58.2393    75.3981      157.424     75.3981      
1 1 1 6  2  21 o 0 21     3.6   ?    ?   121.726  -124.62      19.4732    -124.62      59.207      55.3799      
1 1 1 6  2  22 o 0 131.5  10.1  ?    ?   610.05   -18.17       230.043    -18.17       164.553     161.83       
1 1 1 6  2  23 f 1 160    12.3  ?    ?   552.246  -76.337      304.943    -76.337      21.9452     103.663      
1 1 1 6  2  24 o 0 3.4    4.1   ?    ?   165.072  63.6477      71.9016    -116.352     169.04      -116.352     
1 1 1 6  2  25 o 0 275.3  21.5  ?    ?   623.067  -90.3592     461.254    -90.3592     99.087      -90.3592     
1 1 1 6  2  26 o 0 1375.4 103   ?    ?   1173.59  -127.23      1171.08    -127.23      497.795     -127.23      
1 1 1 6  2  27 o 0 164.1  13.2  ?    ?   344.667  132.796      395.076    132.796      200.492     132.796      
1 1 1 6  2  28 o 0 192.4  20    ?    ?   473.113  159.359      383.242    159.359      117.002     159.359      
1 1 1 6  2  29 o 0 286.7  22.9  ?    ?   645.847  110.201      466.628    110.201      86.1412     110.201      
1 1 1 6  2  30 o 0 1114.8 84    ?    ?   1252.76  -94.4321     925.667    -94.4321     192.022     -94.4321     
1 1 1 6  2  31 o 0 60.1   7.8   ?    ?   321.451  54.762       164.577    54.762       16.773      -125.238     
1 1 1 6  2  32 o 0 53     8.4   ?    ?   392.176  102.117      106.311    102.117      111.041     -77.8829     
1 1 1 6  2  33 o 0 157.9  14.2  ?    ?   454.055  119.997      345.039    119.997      111.208     119.997      
1 1 1 6  2  34 o 0 340.2  25.9  ?    ?   682.892  -173.536     516.785    -173.536     183.976     -173.536     
1 1 1 6  2  35 o 0 96.5   9.8   ?    ?   209.858  -28.1244     311.084    -28.1244     212.228     -28.1244     
1 1 1 6  2  36 o 0 50.4   9.4   ?    ?   350.585  -66.1645     127.88     -66.1645     41.3401     113.835      
1 1 1 6  2  37 o 0 10.5   7.1   ?    ?   135.606  150.486      28.0417    150.486      53.0597     -29.5136     
1 1 1 6  2  38 o 0 20     8.3   ?    ?   138.061  1.57601      92.3727    1.57601      11.4426     1.57601      
1 1 1 6  2  39 o 0 11     7.2   ?    ?   25.0094  148.275      16.4628    148.275      2.44692     148.275      
1 1 1 6  2  40 o 0 39     9.1   ?    ?   229.515  -150.062     165.389    -150.062     43.2427     -150.062     
1 1 1 6  2  41 f 1 48.3   7.7   ?    ?   243.763  53.1921      198.159    53.1921      73.3155     53.1921      
1 1 1 6  2  42 o 0 9.2    6.7   ?    ?   173.731  134.843      32.0132    134.843      50.0836     -45.1567     
1 1 1 6  3  0  f 1 164.3  17.6  ?    ?   273.433  -180         414.761    180          209.26      180          
1 1 1 6  3  1  o 0 110    8.3   ?    ?   427.266  18.3095      306.394    18.3095      9.65326     -161.691     
1 1 1 6  3  2  o 0 45.4   3.8   ?    ?   284.635  17.4043      124.024    17.4043      83.023      -162.596     
1 1 1 6  3  3  f 1 434.4  35.5  ?    ?   930.033  -132.507     621.54     -132.507     43.7119     47.4932      
1 1 1 6  3  4  o 0 1598.1 130.4 ?    ?   1545.37  -77.2352     1349.02    -77.2352     253.314     -77.2352     
1 1 1 6  3  5  o 0 883.4  65.9  ?    ?   1254.72  33.5123      928.679    33.5123      46.73       33.5123      
1 1 1 6  3  6  o 0 396.5  25.7  ?    ?   1162.32  92.5693      364.409    92.5693      390.553     -87.4307     
1 1 1 6  3  7  o 0 191.6  13.4  ?    ?   585.696  12.9267      371.71     12.9267      6.97993     -167.073     
1 1 1 6  3  8  o 0 962.9  66.6  ?    ?   1373.56  55.331       850.857    55.331       34.2812     -124.669     
1 1 1 6  3  9  f 1 2163.2 149.2 ?    ?   1759.16  -105.03      1451.45    -105.03      323.661     -105.03      
1 1 1 6  3  10 o 0 288.1  20.2  ?    ?   530.042  -153.039     611.326    -153.039     250.73      -153.039     
1 1 1 6  3  12 o 0 55.5   4.3   ?    ?   403.904  127.492      109.418    127.492      164.078     -52.5079     
1 1 1 6  3  13 o 0 298.8  21    ?    ?   809.297  82.7372      450.652    82.7372      95.7698     -97.2628     
1 1 1 6  3  14 o 0 52.7   4.3   ?    ?   542.357  -129.577     34.7225    -129.577     349.146     50.4227      
1 1 1 6  3  16 f 1 93     7.7   ?    ?   309.411  -80.4281     312.912    -80.4281     96.4164     -80.4281     
1 1 1 6  3  17 o 0 354.4  29.5  ?    ?   950.809  -95.6538     491.445    -95.6538     171.849     84.3462      
1 1 1 6  3  18 o 0 152.6  12    ?    ?   379.297  19.6971      421.964    19.6971      173.537     19.6971      
1 1 1 6  3  19 o 0 21.2   3.7   ?    ?   64.4347  163.689      13.7164    163.689      28.3794     -16.3111     
1 1 1 6  3  20 o 0 110.4  8     ?    ?   372.905  -103.704     311.999    -103.704     70.3148     -103.704     
1 1 1 6  3  21 o 0 122    9.3   ?    ?   467.881  -51.6516     291.678    -51.6516     8.90069     128.348      
1 1 1 6  3  22 o 0 292.3  22.4  ?    ?   718.549  -63.7838     484.932    -63.7838     22.8814     -63.7838     
1 1 1 6  3  23 o 0 50.3   6     ?    ?   287.25   -79.6181     127.71     -79.6181     41.7983     100.382      
1 1 1 6  3  24 o 0 134.3  11.6  ?    ?   525.706  40.799       256.948    40.799       50.7358     -139.201     
1 1 1 6  3  25 o 0 102.6  8.3   ?    ?   261.13   -109.647     291.542    -109.647     140.544     -109.647     
1 1 1 6  3  26 o 0 234.3  20.5  ?    ?   775.37   144.674      308.021    144.674      133.634     -35.3257     
1 1 1 6  3  27 o 0 415.6  32.1  ?    ?   948.827  102.498      461.874    102.498      71.2313     -77.5016     
1 1 1 6  3  28 o 0 24.8   5.8   ?    ?   269.666  20.328       25.3013    20.328       125.755     -159.672     
1 1 1 6  3  29 o 0 429.9  33.7  ?    ?   694.849  108.033      630.313    108.033      222.759     108.033      
1 1 1 6  3  30 o 0 207.9  18.3  ?    ?   750.363  -78.7243     271.209    -78.7243     166.367     101.276      
1 1 1 6  3  31 o 0 95.8   9.4   ?    ?   276.372  -165.5       284.117    -165.5       128.83      -165.5       
1 1 1 6  3  32 f 1 18     6.5   ?    ?   271.363  95.7969      0.218845   -84.2031     149.646     -84.2031     
1 1 1 6  3  33 o 0 68.9   8.4   ?    ?   200.907  -75.2054     235.017    -75.2054     131.937     -75.2054     
1 1 1 6  3  34 o 0 20.5   7.3   ?    ?   397.327  126.312      12.52      -53.6878     205.471     -53.6878     
1 1 1 6  3  35 o 0 85.1   9.8   ?    ?   347.127  -150.548     235.222    -150.548     72.2587     -150.548     
1 1 1 6  3  36 o 0 240.4  21.7  ?    ?   616.957  -15.6543     382.526    -15.6543     85.7003     -15.6543     
1 1 1 6  3  37 o 0 -1.5   6.9   ?    ?   94.7156  -131.96      18.7507    48.0397      75.2208     48.0397      
1 1 1 6  3  38 o 0 191    15.6  ?    ?   477.905  84.1051      440.098    84.1051      160.786     84.1051      
1 1 1 6  3  39 o 0 177.4  17.4  ?    ?   563.745  131.246      359.643    131.246      44.6031     131.246      
1 1 1 6  3  40 o 0 18.5   7.4   ?    ?   121.855  -175.839     92.5555    -175.839     27.8812     -175.839     
1 1 1 6  3  41 o 0 5.5    6.5   ?    ?   131.422  -82.2277     14.9093    -82.2277     52.3977     97.7723      
1 1 1 6  3  42 o 0 23.8   7.2   ?    ?   114.143  -41.7391     146.385    -41.7391     97.5172     -41.7391     
1 1 1 6  4  0  o 0 44.3   4.9   ?    ?   233.173  -2.37713e-14 166.707    0            7.0399      180          
1 1 1 6  4  1  o 0 634.2  47.3  ?    ?   961.866  -36.8804     888.702    -36.8804     184.035     -36.8804     
1 1 1 6  4  3  o 0 84.6   7     ?    ?   385.557  -53.6786     235.954    -53.6786     38.5207     126.321      
1 1 1 6  4  4  o 0 412.1  30.9  ?    ?   954.751  149.312      520.374    149.312      104.924     -30.6884     
1 1 1 6  4  5  o 0 436.5  35.8  ?    ?   950.896  8.54916      551.105    8.54916      66.4631     -171.451     
1 1 1 6  4  6  o 0 283.7  19.7  ?    ?   921.881  -97.2775     338.326    -97.2775     256.631     82.7225      
1 1 1 6  4  8  o 0 902.9  62.5  ?    ?   1189.9   -124.882     905.349    -124.882     143.66      -124.882     
1 1 1 6  4  9  o 0 479.1  31.1  ?    ?   692.759  -44.0948     800.651    -44.0948     331.512     -44.0948     
1 1 1 6  4  11 o 0 36     3     ?    ?   189.407  30.2994      83.7007    30.2994      43.9637     -149.701     
1 1 1 6  4  12 o 0 112.8  8.8   ?    ?   553.181  -42.3444     214.507    -42.3444     157.412     137.656      
1 1 1 6  4  13 f 1 208.4  14.8  ?    ?   638.687  55.7768      430.553    55.7768      18.672      -124.223     
1 1 1 6  4  14 o 0 270.4  19.1  ?    ?   747.535  97.5529      482.839    97.5529      42.5067     -82.4471     
1 1 1 6  4  15 o 0 9.4    2.6   ?    ?   221.051  -90.0158     72.7056    89.9843      227.43      89.9843      
1 1 1 6  4  16 f 1 265.3  20.2  ?    ?   931.167  79.519       348.774    79.519       298.26      -100.481     
1 1 1 6  4  17 f 1 209.5  14.9  ?    ?   380.987  -119.536     578.586    -119.536     315.292     -119.536     
1 1 1 6  4  18 o 0 269.5  20.6  ?    ?   507.614  -171.792     588.007    -171.792     256.219     -171.792     
1 1 1 6  4  19 o 0 14.8   3.6   ?    ?   63.4408  -15.5212     2.82803    164.479      44.0041     164.479      
1 1 1 6  4  20 o 0 179.7  13.2  ?    ?   493.476  160.175      414.687    160.175      96.8964     160.175      
1 1 1 6  4  21 o 0 821.5  57.1  ?    ?   1134.22  -133.359     885.957    -133.359     154.127     -133.359     
1 1 1 6  4  22 o 0 530.3  37.1  ?    ?   813.562  23.3027      759.657    23.3027      239.672     23.3027      
1 1 1 6  4  23 o 0 254.5  18.4  ?    ?   761.409  81.2863      359.523    81.2863      87.1507     -98.7137     
1 1 1 6  4  24 o 0 220.8  16.3  ?    ?   551.992  23.1452      410.512    23.1452      89.2882     23.1452      
1 1 1 6  4  25 o 0 601    45.5  ?    ?   945.601  119.475      680.366    119.475      136.607     119.475      
1 1 1 6  4  26 o 0 230.4  17.3  ?    ?   679.713  84.3157      351.51     84.3157      33.5763     -95.6843     
1 1 1 6  4  27 f 1 42.8   6.7   ?    ?   229.039  89.2128      108.21     89.2128      19.4768     -90.7872     
1 1 1 6  4  28 o 0 94.2   9.3   ?    ?   298.406  -65.4772     253.264    -65.4772     86.9531     -65.4772     
1 1 1 6  4  29 o 0 222.4  20.1  ?    ?   493.374  -79.2763     440.074    -79.2763     152.107     -79.2763     
1 1 1 6  4  30 o 0 553.5  39.6  ?    ?   1074.54  152.596      541.252    152.596      82.3979     -27.4041     
1 1 1 6  4  31 o 0 73.3   9.2   ?    ?   373.474  77.338       180.019    77.338       28.8653     -102.662     
1 1 1 6  4  32 o 0 42.7   8     ?    ?   260.234  -135.946     135.115    -135.946     0.276567    44.0541      
1 1 1 6  4  33 o 0 131    12.8  ?    ?   506.034  -43.5513     264.331    -43.5513     5.81219     -43.5513     
1 1 1 6  4  34 o 0 29.6   7.1   ?    ?   215.081  -66.4761     97.0566    -66.4761     6.95771     113.524      
1 1 1 6  4  35 o 0 199.2  18.6  ?    ?   701.11   39.8548      302.499    39.8548      25.3235     -140.145     
1 1 1 6  4  36 o 0 65.3   9     ?    ?   202.287  48.1306      281.321    48.1306      161.011     48.1306      
1 1 1 6  4  37 o 0 79.5   9.2   ?    ?   299.768  -61.9192     281.72     -61.9192     103.668     -61.9192     
1 1 1 6  4  38 o 0 13.7   7.9   ?    ?   38.5084  -103.185     29.2808    -103.185     6.85621     -103.185     
1 1 1 6  4  39 o 0 29.8   8.5   ?    ?   64.7348  -164.987     137.46     -164.987     101.411     -164.987     
1 1 1 6  4  40 o 0 35.6   7.9   ?    ?   232.671  100.204      150.932    100.204      27.8598     100.204      
1 1 1 6  4  41 o 0 23.3   7.5   ?    ?   148.427  -111.271     117.696    -111.271     41.9286     -111.271     
1 1 1 6  4  42 o 0 2.8    7.2   ?    ?   75.4577  62.9313      30.5912    62.9313      1.61249     -117.069     
1 1 1 6  5  0  o 0 367.9  39.1  ?    ?   676.204  1.56474e-14  577.053    0            112.461     -6.46419e-14 
1 1 1 6  5  1  o 0 542.6  37.5  ?    ?   1149.47  -176.491     587.514    -176.491     190.232     3.50879      
1 1 1 6  5  2  o 0 73.2   5.6   ?    ?   338.594  -129.087     204.388    -129.087     21.5091     50.9128      
1 1 1 6  5  3  o 0 95.3   8     ?    ?   488.026  110.557      197.718    110.557      123.901     -69.4432     
1 1 1 6  5  4  o 0 2005.2 149.3 ?    ?   1998.09  -98.0763     1218.6     -98.0763     84.7724     81.9237      
1 1 1 6  5  5  o 0 470.3  30.5  ?    ?   882.604  168.767      638.3      168.767      67.2828     168.767      
1 1 1 6  5  8  o 0 100.9  6.7   ?    ?   234.223  -174.217     329.851    -174.217     171.527     -174.217     
1 1 1 6  5  9  o 0 1284.2 88.7  ?    ?   1280.87  115.095      1223.67    115.095      360.572     115.095      
1 1 1 6  5  12 o 0 65.9   5     ?    ?   324.349  158.321      183.978    158.321      32.7973     -21.6794     
1 1 1 6  5  13 o 0 770.7  57.8  ?    ?   1079.11  -119.218     955.079    -119.218     198.8       -119.218     
1 1 1 6  5  14 o 0 93.8   9.3   ?    ?   403.317  162.309      267.762    162.309      13.8931     -17.6905     
1 1 1 6  5  15 o 0 35.8   3.7   ?    ?   361.604  80.9529      52.5545    80.9529      198.93      -99.0471     
1 1 1 6  5  16 o 0 98.9   8     ?    ?   525.229  -174.998     212.5      -174.998     151.042     5.00164      
1 1 1 6  5  17 o 0 107.9  8.1   ?    ?   487.215  -23.9508     247.193    -23.9508     69.7059     156.049      
1 1 1 6  5  18 f 1 140.2  11.2  ?    ?   250.11   155.4        438.92     155.4        276.916     155.4        
1 1 1 6  5  19 o 0 50.2   5.4   ?    ?   259.159  -121.939     151.684    -121.939     15.4434     58.0614      
1 1 1 6  5  20 o 0 364.5  25.7  ?    ?   710.723  107.814      611.667    107.814      156.88      107.814      
1 1 1 6  5  21 o 0 393.3  26    ?    ?   809.865  163.077      583.938    163.077      64.6683     163.077      
1 1 1 6  5  22 o 0 324    23    ?    ?   345.926  42.2866      735.113    42.2866      515.383     42.2866      
1 1 1 6  5  23 o 0 189.5  15.1  ?    ?   487.806  56.5383      389.397    56.5383      104.97      56.5383      
1 1 1 6  5  24 o 0 66.5   6.9   ?    ?   340.403  -152.976     162.766    -152.976     34.1444     27.0241      
1 1 1 6  5  25 o 0 263.9  21    ?    ?   863.966  -66.5662     306.38     -66.5662     187.53      113.434      
1 1 1 6  5  26 o 0 60.3   7.9   ?    ?   217.252  -42.6016     173.459    -42.6016     51.082      -42.6016     
1 1 1 6  5  27 o 0 351.5  25.6  ?    ?   831.725  93.0601      439.96     93.0601      22.3082     -86.9399     
1 1 1 6  5  28 o 0 110.9  10.3  ?    ?   506.151  -15.331      200.262    -15.331      80.2854     164.669      
1 1 1 6  5  29 o 0 36.9   6.8   ?    ?   341.102  65.8696      62.4077    65.8696      137.661     -114.13      
1 1 1 6  5  30 o 0 95.6   11.6  ?    ?   356.936  -104.027     241.468    -104.027     35.389      -104.027     
1 1 1 6  5  31 o 0 233.6  21.6  ?    ?   380.109  101.705      505.188    101.705      293.677     101.705      
1 1 1 6  5  32 o 0 20.9   6.9   ?    ?   225.838  45.8723      41.7334    45.8723      75.1777     -134.128     
1 1 1 6  5  33 o 0 127.8  11.3  ?    ?   444.221  62.9183      285.4      62.9183      59.5622     62.9183      
1 1 1 6  5  34 o 0 211.1  18.5  ?    ?   658.685  -15.0479     339.924    -15.0479     22.8881     -15.0479     
1 1 1 6  5  35 o 0 75.1   10.6  ?    ?   534.113  -123.867     128.348    -123.867     120.238     56.133       
1 1 1 6  5  36 o 0 258    23.9  ?    ?   620.455  169.352      495.674    169.352      128.318     169.352      
1 1 1 6  5  37 o 0 -1.2   6.8   ?    ?   30.7442  -65.5759     5.24997    114.424      23.431      114.424      
1 1 1 6  5  38 o 0 69.6   9.1   ?    ?   339.609  -123.863     223.526    -123.863     26.6058     -123.863     
1 1 1 6  5  39 o 0 193.9  15.5  ?    ?   574.679  -6.43461     385.534    -6.43461     66.8407     -6.43461     
1 1 1 6  5  40 o 0 26.5   8.4   ?    ?   212.594  41.3655      109.194    41.3655      2.80261     -138.635     
1 1 1 6  5  41 o 0 38.6   8.2   ?    ?   225.519  101.567      173.08     101.567      64.8645     101.567      
1 1 1 6  5  42 o 0 7.8    6.9   ?    ?   107.368  -141.359     51.2871    -141.359     5.64083     -141.359     
1 1 1 6  6  1  o 0 1205.1 89.8  ?    ?   1461.61  167.736      1041.26    167.736      57.3028     167.736      
1 1 1 6  6  3  o 0 1015.3 75.7  ?    ?   1555.91  162.344      794.808    162.344      227.715     -17.6561     
1 1 1 6  6  4  o 0 73.3   5.3   ?    ?   117.051  -155.071     191.937    -155.071     115.757     -155.071     
1 1 1 6  6  5  o 0 436.7  28.4  ?    ?   826.951  -32.5206     626.519    -32.5206     92.6431     -32.5206     
1 1 1 6  6  7  o 0 43.7   3.3   ?    ?   142.684  -131.098     109.82     -131.098     13.2531     -131.098     
1 1 1 6  6  8  o 0 790.1  51.1  ?    ?   1121.03  73.1805      884.464    73.1805      129.032     73.1805      
1 1 1 6  6  10 o 0 59.1   4.5   ?    ?   229.48   78.7191      183.068    78.7191      29.4913     78.7191      
1 1 1 6  6  11 o 0 44.3   3.6   ?    ?   344.678  -146.165     87.1406    -146.165     142.811     33.8347      
1 1 1 6  6  12 o 0 131.8  9.5   ?    ?   297.263  -117.913     433.777    -117.913     225.835     -117.913     
1 1 1 6  6  13 o 0 82.7   7.3   ?    ?   362.93   -50.1856     251.193    -50.1856     1.80713     129.814      
1 1 1 6  6  14 o 0 63.5   5.9   ?    ?   275.031  -136.437     214.471    -136.437     23.4832     -136.437     
1 1 1 6  6  15 o 0 42.7   4.5   ?    ?   261.118  94.2548      124.879    94.2548      55.6579     -85.7452     
1 1 1 6  6  16 o 0 15.9   2.9   ?    ?   269.462  -175.235     38.5396    4.76501      223.925     4.76501      
1 1 1 6  6  17 o 0 321.7  24.5  ?    ?   717.823  54.8543      547.773    54.8543      81.6021     54.8543      
1 1 1 6  6  18 o 0 362.1  27.5  ?    ?   575.131  -97.2618     692.252    -97.2618     321.095     -97.2618     
1 1 1 6  6  19 o 0 21.6   3.4   ?    ?   70.0566  112.876      15.534     112.876      29.3597     -67.1244     
1 1 1 6  6  20 f 1 33.6   4.2   ?    ?   129.703  -102.728     73.399     -102.728     8.85995     77.2718      
1 1 1 6  6  21 o 0 763.7  53.2  ?    ?   1160.25  71.4374      801.811    71.4374      62.5876     71.4374      
1 1 1 6  6  22 f 1 1135.4 73.6  ?    ?   1310.8   40.1286      963.341    40.1286      198.06      40.1286      
1 1 1 6  6  23 o 0 408.4  29    ?    ?   834.912  -121.893     531.239    -121.893     45.989      -121.893     
1 1 1 6  6  24 o 0 260    20.3  ?    ?   601.486  148.995      443.813    148.995      98.0333     148.995      
1 1 1 6  6  25 o 0 21.4   5.2   ?    ?   478.498  113.514      81.4199    -66.4859     353.287     -66.4859     
1 1 1 6  6  26 o 0 308.6  26.8  ?    ?   803.457  -96.436      398.996    -96.436      50.8459     83.564       
1 1 1 6  6  27 o 0 251.7  18.9  ?    ?   697.816  -48.7277     364.514    -48.7277     25.4556     131.272      
1 1 1 6  6  28 o 0 283.5  19.8  ?    ?   659.121  71.9149      452.919    71.9149      66.7794     71.9149      
1 1 1 6  6  29 f 1 132.1  11    ?    ?   166.488  123.526      388.815    123.526      291.979     123.526      
1 1 1 6  6  30 o 0 355.1  26.5  ?    ?   854.7    29.1719      427.897    29.1719      62.7559     -150.828     
1 1 1 6  6  31 o 0 555    40    ?    ?   922.775  -88.8154     620.994    -88.8154     110.394     -88.8154     
1 1 1 6  6  32 f 1 36.3   8.3   ?    ?   240.554  -111.569     113.941    -111.569     9.58525     68.4311      
1 1 1 6  6  33 o 0 110.5  11.5  ?    ?   378.923  -157.977     283.684    -157.977     98.8321     -157.977     
1 1 1 6  6  34 o 0 14.8   7.1   ?    ?   205.439  63.9157      24.3316    63.9157      72.6614     -116.084     
1 1 1 6  6  35 o 0 47.5   8.1   ?    ?   101.576  -18.214      163.548    -18.214      116.518     -18.214      
1 1 1 6  6  36 o 0 17.1   8.4   ?    ?   86.4923  -72.8773     51.4737    -72.8773     0.524726    -72.8773     
1 1 1 6  6  37 f 1 18.3   9.2   ?    ?   202.905  106.343      59.4407    106.343      59.6436     -73.6569     
1 1 1 6  6  38 o 0 24.4   6.6   ?    ?   47.5556  -149.195     85.8269    -149.195     58.387      -149.195     
1 1 1 6  6  39 o 0 58.5   8     ?    ?   369.069  71.728       178.188    71.728       19.8796     -108.272     
1 1 1 6  6  40 o 0 16     7     ?    ?   237.773  55.8905      45.1572    55.8905      78.1045     -124.109     
1 1 1 6  6  41 o 0 21     7.5   ?    ?   91.4104  -145.65      117.407    -145.65      73.7457     -145.65      
1 1 1 6  6  42 o 0 46.8   9.6   ?    ?   278.524  58.9987      184.975    58.9987      67.0974     58.9987      
1 1 1 6  7  0  o 0 494.7  45.5  ?    ?   1037.5   -2.4614e-14  661.674    0            42.4452     180          
1 1 1 6  7  1  o 0 299.4  22.5  ?    ?   385.45   -122.917     702.004    -122.917     443.573     -122.917     
1 1 1 6  7  3  o 0 120.7  8.5   ?    ?   213.165  166.268      377.534    166.268      237.714     166.268      
1 1 1 6  7  4  o 0 529.1  39.7  ?    ?   1219.83  131.19       501.538    131.19       291.244     -48.8104     
1 1 1 6  7  5  o 0 810.4  56    ?    ?   1268.27  -51.926      820.357    -51.926      47.1521     128.074      
1 1 1 6  7  6  o 0 83.6   5.6   ?    ?   698.337  -75.1341     39.375     -75.1341     435.114     104.866      
1 1 1 6  7  7  f 1 127    8.4   ?    ?   345.154  -84.8262     368.024    -84.8262     135.422     -84.8262     
1 1 1 6  7  8  o 0 62.5   4.6   ?    ?   216.934  -111.928     198.064    -111.928     52.1934     -111.928     
1 1 1 6  7  10 o 0 55.2   4     ?    ?   310.838  166.914      147.209    166.914      60.1398     -13.0856     
1 1 1 6  7  11 o 0 64.9   4.6   ?    ?   201.756  110.776      232.582    110.776      91.5324     110.776      
1 1 1 6  7  12 o 0 52.9   4.2   ?    ?   458.16   -72.1312     84.8126    -72.1312     234.309     107.869      
1 1 1 6  7  13 o 0 503.7  37.8  ?    ?   812.812  1.62256      802.066    1.62256      238.126     1.62256      
1 1 1 6  7  14 f 1 108.4  10.7  ?    ?   442.682  8.19335      289.326    8.19335      15.7251     -171.807     
1 1 1 6  7  15 o 0 9.4    3     ?    ?   102.075  -163.955     29.979     16.0451      100.17      16.0451      
1 1 1 6  7  16 o 0 38.9   3.8   ?    ?   357.24   -90.5815     66.0901    -90.5815     164.81      89.4185      
1 1 1 6  7  17 o 0 257.1  18.3  ?    ?   523.883  168.43       550.148    168.43       211.942     168.43       
1 1 1 6  7  18 o 0 306.5  20.3  ?    ?   705.462  -0.331373    525.404    -0.331373    72.9138     -0.331373    
1 1 1 6  7  19 o 0 19.8   3.3   ?    ?   182.057  47.9013      10.9093    47.9013      105.03      -132.099     
1 1 1 6  7  20 o 0 158.1  11.9  ?    ?   560.165  141.332      318.586    141.332      39.1043     -38.6677     
1 1 1 6  7  21 o 0 87.9   7.6   ?    ?   389.581  5.32889      226.181    5.32889      20.4456     -174.671     
1 1 1 6  7  22 o 0 537.9  35.3  ?    ?   907.647  -17.3437     647.568    -17.3437     119.705     -17.3437     
1 1 1 6  7  23 o 0 291.7  22.7  ?    ?   789.93   -78.0141     393.023    -78.0141     63.1273     101.986      
1 1 1 6  7  24 f 1 226.5  17.8  ?    ?   314.547  -61.481      521.831    -61.481      342.632     -61.481      
1 1 1 6  7  25 o 0 182.2  15.9  ?    ?   651.184  6.63769      280.339    6.63769      86.4768     -173.362     
1 1 1 6  7  26 o 0 1145.4 85.9  ?    ?   1361.7   -58.3191     881.799    -58.3191     124.275     -58.3191     
1 1 1 6  7  27 o 0 101.9  10    ?    ?   405.397  -119.291     227.205    -119.291     2.08769     -119.291     
1 1 1 6  7  28 o 0 198.8  14.7  ?    ?   532.998  152.427      378.342    152.427      68.0528     152.427      
1 1 1 6  7  29 f 1 65.1   7.5   ?    ?   105.906  142.238      182.129    142.238      120.913     142.238      
1 1 1 6  7  30 o 0 68.4   8.7   ?    ?   549.746  79.3694      78.45      79.3694      228.886     -100.631     
1 1 1 6  7  31 f 1 79.8   9.2   ?    ?   518.453  -74.5572     125.783    -74.5572     158.615     105.443      
1 1 1 6  7  32 o 0 9.9    7.1   ?    ?   148      4.73385      7.60359    -175.266     83.3406     -175.266     
1 1 1 6  7  33 o 0 111    11.2  ?    ?   384.298  -111.931     281.015    -111.931     94.653      -111.931     
1 1 1 6  7  34 o 0 173.8  17.1  ?    ?   566.358  -164.561     321.826    -164.561     55.9963     -164.561     
1 1 1 6  7  35 o 0 39.4   8.6   ?    ?   284.909  157.446      116.748    157.446      20.4609     -22.5538     
1 1 1 6  7  36 o 0 47.6   7.9   ?    ?   167.188  -50.4345     230.282    -50.4345     130.388     -50.4345     
1 1 1 6  7  37 o 0 61     8.5   ?    ?   264.265  -171.628     236.42     -171.628     81.4531     -171.628     
1 1 1 6  7  38 o 0 23.3   7.3   ?    ?   225      119.579      90.4634    119.579      35.8416     -60.4212     
1 1 1 6  7  39 o 0 77.7   9.5   ?    ?   387.738  -25.3059     226.66     -25.3059     19.7015     -25.3059     
1 1 1 6  7  40 o 0 25.1   6.9   ?    ?   237.087  -84.9182     102.688    -84.9182     19.5622     95.0818      
1 1 1 6  7  41 o 0 8.3    7.4   ?    ?   46.544   35.1764      30.7564    35.1764      8.64185     35.1764      
1 1 1 6  8  0  f 1 596.4  54.8  ?    ?   885.537  -3.39132e-14 765.719    0            133.069     1.61233e-13  
1 1 1 6  8  1  o 0 37.6   2.9   ?    ?   219.131  65.1469      95.217     65.1469      60.0571     -114.853     
1 1 1 6  8  3  o 0 243.9  18.4  ?    ?   579.936  -17.3361     510.528    -17.3361     107.703     -17.3361     
1 1 1 6  8  4  o 0 489.8  34.1  ?    ?   996.286  128.998      628.805    128.998      57.2303     -51.0024     
1 1 1 6  8  5  o 0 332.7  21.6  ?    ?   712.071  105.682      577.12     105.682      90.5547     105.682      
1 1 1 6  8  8  o 0 174.5  11.5  ?    ?   717.965  -99.2166     266.73     -99.2166     215.189     80.7834      
1 1 1 6  8  9  o 0 270.8  17.7  ?    ?   592.575  104.287      585.242    104.287      168.803     104.287      
1 1 1 6  8  12 o 0 210.4  17.6  ?    ?   552.397  0.29196      479.702    0.29196      96.4305     0.29196      
1 1 1 6  8  13 o 0 1090.3 89.2  ?    ?   1204.68  65.4195      1165.94    65.4195      333.754     65.4195      
1 1 1 6  8  14 o 0 567.5  42.6  ?    ?   891.826  172.039      829.008    172.039      215.818     172.039      
1 1 1 6  8  15 o 0 5.5    2.2   ?    ?   127.489  7.31801      55.7373    -172.682     138.142     -172.682     
1 1 1 6  8  16 o 0 590.1  41.1  ?    ?   920.411  -170.592     784.991    -170.592     190.614     -170.592     
1 1 1 6  8  17 f 1 184.9  13.4  ?    ?   966.816  -38.2172     142.938    -38.2172     476.012     141.783      
1 1 1 6  8  18 o 0 1318   85.3  ?    ?   1613.85  13.5078      1020.59    13.5078      8.32705     -166.492     
1 1 1 6  8  19 o 0 216.5  15.7  ?    ?   653.836  -174.826     386.074    -174.826     32.1236     5.17393      
1 1 1 6  8  20 f 1 377    26.7  ?    ?   593.847  -43.7557     682.851    -43.7557     307.035     -43.7557     
1 1 1 6  8  21 o 0 216    15.9  ?    ?   843.744  -165.925     246.972    -165.925     245.146     14.0753      
1 1 1 6  8  22 o 0 894.1  58.2  ?    ?   1243.91  -157.357     792.748    -157.357     71.8749     -157.357     
1 1 1 6  8  23 f 1 24.1   4.8   ?    ?   343.395  16.2712      9.18053    -163.729     205.654     -163.729     
1 1 1 6  8  24 o 0 96.5   8.9   ?    ?   403.133  39.7687      218.247    39.7687      10.4753     -140.231     
1 1 1 6  8  25 o 0 319    25.2  ?    ?   964.683  -90.7954     327.234    -90.7954     212.538     89.2046      
1 1 1 6  8  26 o 0 519.1  36.7  ?    ?   895.625  -64.6453     599.194    -64.6453     104.289     -64.6453     
1 1 1 6  8  27 o 0 432.9  29.3  ?    ?   804.19   98.4779      540.959    98.4779      97.3799     98.4779      
1 1 1 6  8  28 o 0 123.5  11.3  ?    ?   596.403  -99.9733     190.153    -99.9733     158.293     80.0267      
1 1 1 6  8  29 f 1 421.2  28.6  ?    ?   679.283  13.9885      610.744    13.9885      220.714     13.9885      
1 1 1 6  8  30 o 0 426.9  29.2  ?    ?   501.943  177.18       707.969    177.18       429.21      177.18       
1 1 1 6  8  31 o 0 110.4  11.1  ?    ?   535.287  158.913      209.268    158.913      67.5706     -21.0871     
1 1 1 6  8  32 o 0 79.2   9.4   ?    ?   457.269  120.38       175.201    120.38       49.0896     -59.6201     
1 1 1 6  8  33 o 0 2.4    7.2   ?    ?   114.079  143.134      21.2379    -36.866      76.2034     -36.866      
1 1 1 6  8  34 o 0 167.8  15.1  ?    ?   558.055  -144.562     313.852    -144.562     53.5917     -144.562     
1 1 1 6  8  35 o 0 63.5   8.4   ?    ?   167.77   121.55       285.019    121.55       185.383     121.55       
1 1 1 6  8  36 o 0 23.5   7.2   ?    ?   162.571  -46.2812     114.347    -46.2812     17.8173     -46.2812     
1 1 1 6  8  37 f 1 0.1    6.7   ?    ?   27.118   101.746      2.69278    -78.2542     18.4561     -78.2542     
1 1 1 6  8  38 o 0 116    12.1  ?    ?   408.647  -148.749     314.273    -148.749     86.2776     -148.749     
1 1 1 6  8  39 o 0 5.4    6.3   ?    ?   81.5829  170.009      13.2528    170.009      30.0299     -9.99096     
1 1 1 6  8  40 o 0 58.4   8.7   ?    ?   388.097  -55.5342     163.135    -55.5342     35.7879     124.466      
1 1 1 6  8  41 o 0 9.1    8.3   ?    ?   64.1673  79.9317      56.8749    79.9317      29.3478     79.9317      
1 1 1 6  9  0  o 0 31.1   3.8   ?    ?   349.143  180          148.56     180          100.242     -7.61306e-15 
1 1 1 6  9  1  o 0 219.9  16.6  ?    ?   834.818  35.9651      302.88     35.9651      286.374     -144.035     
1 1 1 6  9  3  o 0 123.9  8.8   ?    ?   560.157  22.4611      248.391    22.4611      139.897     -157.539     
1 1 1 6  9  4  o 0 790.9  54.7  ?    ?   1123.54  -154.941     897.565    -154.941     125.098     -154.941     
1 1 1 6  9  5  o 0 40.7   3     ?    ?   346.067  155.97       71.489     155.97       164.676     -24.0303     
1 1 1 6  9  6  o 0 62.6   4.6   ?    ?   491.285  67.4942      90.2781    67.4942      242.735     -112.506     
1 1 1 6  9  7  o 0 57.7   4     ?    ?   480.873  91.3637      76.6793    91.3637      247.3       -88.6363     
1 1 1 6  9  8  o 0 474.4  30.8  ?    ?   897.053  -36.8205     719.969    -36.8205     87.7427     -36.8205     
1 1 1 6  9  9  o 0 490.3  31.8  ?    ?   868.461  60.1658      757.503    60.1658      148.548     60.1658      
1 1 1 6  9  10 o 0 138.4  10.7  ?    ?   524.743  -27.9793     328.637    -27.9793     37.5297     152.021      
1 1 1 6  9  11 o 0 74.3   6     ?    ?   150.256  -23.9257     252.5      -23.9257     148.144     -23.9257     
1 1 1 6  9  12 o 0 86.8   6.9   ?    ?   476.408  70.5429      201.88     70.5429      127.432     -109.457     
1 1 1 6  9  13 o 0 556.7  41.7  ?    ?   803.201  -151.687     873.838    -151.687     321.333     -151.687     
1 1 1 6  9  14 o 0 274    19.3  ?    ?   406.368  -100.929     647.608    -100.929     384.84      -100.929     
1 1 1 6  9  15 f 1 3.5    2.1   ?    ?   228.007  95.8461      116.122    -84.1539     263.053     -84.1539     
1 1 1 6  9  16 o 0 363.2  25.5  ?    ?   869.84   -68.0222     514.35     -68.0222     44.3157     111.978      
1 1 1 6  9  17 o 0 172.4  11.8  ?    ?   583.892  -42.7071     344.332    -42.7071     28.2775     137.293      
1 1 1 6  9  19 o 0 46.6   5     ?    ?   184.636  127.418      135.738    127.418      18.383      127.418      
1 1 1 6  9  20 o 0 39.6   5.3   ?    ?   376.323  43.4972      51.8239    43.4972      168.167     -136.503     
1 1 1 6  9  21 o 0 709.2  53.5  ?    ?   1335.26  -120.92      577.115    -120.92      196.522     59.0797      
1 1 1 6  9  22 o 0 545.6  45.4  ?    ?   491.433  -50.873      865.506    -50.873      582.635     -50.873      
1 1 1 6  9  23 o 0 384.5  32.1  ?    ?   991.959  79.83        402.957    79.83        162.153     -100.17      
1 1 1 6  9  24 o 0 30     5.6   ?    ?   423.777  51.8915      9.88687    -128.108     248.138     -128.108     
1 1 1 6  9  25 o 0 265.6  18.4  ?    ?   727.059  74.968       375.35     74.968       28.6166     -105.032     
1 1 1 6  9  26 o 0 1484.5 96.3  ?    ?   1323.89  177.398      1105.87    177.398      371.079     177.398      
1 1 1 6  9  27 o 0 202.9  15.8  ?    ?   585.034  -142.305     358.021    -142.305     17.3504     -142.305     
1 1 1 6  9  28 o 0 21.7   6.3   ?    ?   228.546  -27.667      26.0573    -27.667      106.526     152.333      
1 1 1 6  9  29 o 0 94.5   10.8  ?    ?   298.141  -82.3834     270.826    -82.3834     103.839     -82.3834     
1 1 1 6  9  30 o 0 46.3   6.9   ?    ?   294.898  -78.1224     124.434    -78.1224     38.1865     101.878      
1 1 1 6  9  31 o 0 111.6  11.1  ?    ?   346.589  33.6377      295.835    33.6377      117.846     33.6377      
1 1 1 6  9  32 o 0 10     7.6   ?    ?   272.233  -122.762     27.0478    57.2376      159.644     57.2376      
1 1 1 6  9  33 f 1 30.7   7.9   ?    ?   60.9504  140.534      75.6782    140.534      46.9939     140.534      
1 1 1 6  9  34 o 0 164.5  16    ?    ?   439.311  -45.1484     348.777    -45.1484     135.917     -45.1484     
1 1 1 6  9  35 f 1 194    16.6  ?    ?   550.888  88.629       422.732    88.629       98.6508     88.629       
1 1 1 6  9  36 o 0 72.4   8.2   ?    ?   356.771  75.9028      228.252    75.9028      17.8564     75.9028      
1 1 1 6  9  37 o 0 81.6   8.8   ?    ?   358.538  44.5815      256.78     44.5815      53.7536     44.5815      
1 1 1 6  9  38 o 0 105.4  12.5  ?    ?   396.773  71.0132      295.823    71.0132      82.0057     71.0132      
1 1 1 6  9  39 o 0 35.6   9     ?    ?   373.024  155.282      85.4386    155.282      108.924     -24.7181     
1 1 1 6  9  40 o 0 90.5   10.6  ?    ?   326.943  -81.6452     292.636    -81.6452     135.528     -81.6452     
1 1 1 6  9  41 o 0 27.6   7.6   ?    ?   193.083  -173.759     143.586    -173.759     61.2957     -173.759     
1 1 1 6  10 0  f 1 322.4  34.5  ?    ?   362.229  -180         556.056    180          299.985     180          
1 1 1 6  10 1  o 0 301.5  22.7  ?    ?   743.917  -103.881     516.862    -103.881     5.95985     76.1187      
1 1 1 6  10 3  o 0 38.4   2.8   ?    ?   358      -135.063     55.6582    -135.063     191.838     44.9372      
1 1 1 6  10 4  f 1 106.5  7.2   ?    ?   351.591  -34.9696     312.606    -34.9696     72.019      -34.9696     
1 1 1 6  10 7  o 0 81.8   5.6   ?    ?   501.001  82.6935      174.536    82.6935      179.835     -97.3065     
1 1 1 6  10 8  o 0 247.3  18.7  ?    ?   689.463  39.3171      475.752    39.3171      9.11415     -140.683     
1 1 1 6  10 9  o 0 835.9  62.4  ?    ?   1201.76  -74.9615     940.371    -74.9615     99.8333     -74.9615     
1 1 1 6  10 10 o 0 116.7  8.4   ?    ?   579.015  -113.326     234.383    -113.326     168.469     66.6736      
1 1 1 6  10 12 o 0 18.9   2.2   ?    ?   350.859  177.676      48.176     -2.32446     289.771     -2.32446     
1 1 1 6  10 13 o 0 727.5  50.5  ?    ?   906.092  153.181      954.187    153.181      367.806     153.181      
1 1 1 6  10 14 o 0 55.1   4.6   ?    ?   389.081  -121.416     122.564    -121.416     128.997     58.5842      
1 1 1 6  10 15 o 0 15.3   2.5   ?    ?   83.9736  -156.716     2.52472    23.2844      56.4989     23.2844      
1 1 1 6  10 16 o 0 63.8   5.5   ?    ?   271.344  158.025      200.786    158.025      27.473      158.025      
1 1 1 6  10 17 o 0 699.5  48.7  ?    ?   1129.06  141.763      766.876    141.763      50.5835     141.763      
1 1 1 6  10 18 o 0 395.5  26.1  ?    ?   956.124  35.7894      493.622    35.7894      114.958     -144.211     
1 1 1 6  10 19 o 0 127.9  10.9  ?    ?   560.718  -11.0163     225.95     -11.0163     102.429     168.984      
1 1 1 6  10 20 o 0 430.8  30.4  ?    ?   880.25   106.915      536.635    106.915      25.4713     106.915      
1 1 1 6  10 21 o 0 85.4   8.1   ?    ?   390.817  -94.1769     197.726    -94.1769     27.8523     85.8231      
1 1 1 6  10 22 o 0 135.5  12.9  ?    ?   611.888  48.8496      209.102    48.8496      140.643     -131.15      
1 1 1 6  10 23 o 0 139    12.1  ?    ?   423.749  25.2216      309.156    25.2216      69.9864     25.2216      
1 1 1 6  10 24 o 0 209.4  15.8  ?    ?   644.549  -33.2761     329.738    -33.2761     30.0143     146.724      
1 1 1 6  10 25 o 0 378.3  25.5  ?    ?   528.182  120.894      625.96     120.894      331.281     120.894      
1 1 1 6  10 26 o 0 419.7  28.2  ?    ?   796.611  -135.153     562.45     -135.153     95.8401     -135.153     
1 1 1 6  10 27 o 0 87.2   8.4   ?    ?   195.744  -124.961     276.966    -124.961     162.661     -124.961     
1 1 1 6  10 28 o 0 6.5    5.8   ?    ?   171.1    83.3436      49.208     -96.6564     147.725     -96.6564     
1 1 1 6  10 29 o 0 276.6  21.2  ?    ?   755.285  -134.751     379.718    -134.751     40.1429     45.2493      
1 1 1 6  10 30 o 0 456.3  33.4  ?    ?   923.176  124.076      535.649    124.076      57.3722     124.076      
1 1 1 6  10 31 o 0 77     8.9   ?    ?   236.484  24.7953      247.745    24.7953      127.21      24.7953      
1 1 1 6  10 32 o 0 95.9   11.3  ?    ?   444.825  -56.0779     218.561    -56.0779     3.52276     -56.0779     
1 1 1 6  10 33 o 0 83.6   12    ?    ?   398.275  160.151      208.356    160.151      21.8419     160.151      
1 1 1 6  10 34 o 0 67.5   9.8   ?    ?   308.223  16.3345      242.439    16.3345      58.4799     16.3345      
1 1 1 6  10 35 o 0 26.9   6.6   ?    ?   191.346  23.9259      126.721    23.9259      12.4465     23.9259      
1 1 1 6  10 36 o 0 18.4   6.3   ?    ?   94.5818  -99.9272     85.653     -99.9272     30.1657     -99.9272     
1 1 1 6  10 37 o 0 6.3    6     ?    ?   32.5934  -169.761     7.8566     -169.761     10.4644     10.2395      
1 1 1 6  10 38 o 0 21     7.4   ?    ?   170.369  -62.0611     98.9139    -62.0611     7.77257     -62.0611     
1 1 1 6  10 39 o 0 37.2   8.7   ?    ?   263.476  -174.18      143.39     -174.18      7.10151     -174.18      
1 1 1 6  10 40 o 0 135.5  14.9  ?    ?   522.49   66.7674      297.388    66.7674      48.1182     66.7674      
1 1 1 6  11 1  o 0 61     4.9   ?    ?   389.912  -20.13       164.852    -20.1299     121.963     159.87       
1 1 1 6  11 3  o 0 53.7   3.8   ?    ?   363.619  -70.3094     144.141    -70.3094     119.366     109.691      
1 1 1 6  11 4  o 0 94     6.8   ?    ?   287.085  127.105      333.017    127.105      126.463     127.105      
1 1 1 6  11 5  o 0 318.1  24    ?    ?   595.299  130.838      679.294    130.838      253.921     130.838      
1 1 1 6  11 6  o 0 53.8   4.1   ?    ?   327.824  -58.982      158.133    -58.982      74.5862     121.018      
1 1 1 6  11 7  f 1 134.1  8.9   ?    ?   536.34   -95.2169     314.787    -95.2169     62.6191     84.7831      
1 1 1 6  11 8  o 0 167.7  12.8  ?    ?   504.016  -49.4636     417.695    -49.4636     64.2264     -49.4636     
1 1 1 6  11 9  o 0 529.4  39.8  ?    ?   857.096  77.7191      812.821    77.7191      215.17      77.7191      
1 1 1 6  11 10 f 1 99.1   9.6   ?    ?   431.254  102.304      268.528    102.304      29.7376     -77.6961     
1 1 1 6  11 11 o 0 27.8   3.3   ?    ?   367.757  170.717      3.42432    170.717      236.187     -9.28304     
1 1 1 6  11 12 o 0 173.5  12.4  ?    ?   423.589  65.9421      443.367    65.9421      167.646     65.9421      
1 1 1 6  11 13 o 0 201.7  14.4  ?    ?   549.292  -117.626     431.011    -117.626     75.5169     -117.626     
1 1 1 6  11 14 o 0 17.8   2.5   ?    ?   94.8205  172.119      5.82218    172.119      55.1789     -7.88132     
1 1 1 6  11 15 f 1 13.4   2.2   ?    ?   263.065  -17.1356     49.5821    162.864      217.328     162.864      
1 1 1 6  11 16 o 0 9.5    2.5   ?    ?   313.851  44.6454      100.072    -135.355     299.386     -135.355     
1 1 1 6  11 17 o 0 382.7  25.2  ?    ?   1012.76  -34.026      441.063    -34.026      204.348     145.974      
1 1 1 6  11 18 f 1 1603.1 110.8 ?    ?   1239.83  -3.78921     1430.79    -3.78921     648.675     -3.78921     
1 1 1 6  11 19 o 0 15.2   4.3   ?    ?   165.494  -130.452     13.3329    49.5482      109.61      49.5482      
1 1 1 6  11 20 o 0 104.5  10.3  ?    ?   280.191  108.468      291.108    108.468      129.025     108.468      
1 1 1 6  11 21 o 0 745.3  61.5  ?    ?   897.397  -33.492      842.088    -33.492      327.784     -33.492      
1 1 1 6  11 22 o 0 1036.5 85.3  ?    ?   1372.61  -117.567     808.526    -117.567     31.3507     -117.567     
1 1 1 6  11 23 o 0 218.7  17.8  ?    ?   617.332  139.475      360.428    139.475      14.5855     139.475      
1 1 1 6  11 24 o 0 25.3   4.9   ?    ?   25.4802  174.675      9.04962    174.675      5.06454     -5.32545     
1 1 1 6  11 25 o 0 678.4  44.6  ?    ?   1016.11  134.971      680.551    134.971      118.001     134.971      
1 1 1 6  11 26 o 0 221.3  16.6  ?    ?   538.073  104.94       414.033    104.94       98.0767     104.94       
1 1 1 6  11 27 o 0 169.6  12.9  ?    ?   475.249  -28.8515     348.543    -28.8515     73.1949     -28.8515     
1 1 1 6  11 28 o 0 10.9   5.4   ?    ?   125.427  173.028      10.0414    -6.97161     80.2492     -6.97161     
1 1 1 6  11 29 o 0 5      5.7   ?    ?   108.143  166.209      28.77      -13.7906     88.4095     -13.7906     
1 1 1 6  11 30 o 0 301.9  23.3  ?    ?   823.328  53.7048      393.577    53.7048      29.5765     -126.295     
1 1 1 6  11 31 o 0 285.7  25.5  ?    ?   674.277  -151.205     447.605    -151.205     118.68      -151.205     
1 1 1 6  11 32 o 0 31.8   8.9   ?    ?   13.8389  -5.81658     20.2314    -5.81658     13.6868     -5.81658     
1 1 1 6  11 33 f 1 10.9   8.8   ?    ?   429.025  -102.588     76.6749    77.412       284.653     77.412       
1 1 1 6  11 34 o 0 7.9    6.4   ?    ?   175.71   -147.803     8.85542    32.197       112.89      32.197       
1 1 1 6  11 35 o 0 43.8   6.8   ?    ?   257.331  17.4864      177.116    17.4864      24.6565     17.4864      
1 1 1 6  11 36 o 0 -0.2   6.9   ?    ?   144.641  -143.306     25.0672    36.6945      109.249     36.6945      
1 1 1 6  11 37 o 0 82.5   9.9   ?    ?   360.525  -163.799     251.563    -163.799     50.5115     -163.799     
1 1 1 6  11 38 o 0 7.6    6.1   ?    ?   198.305  82.5143      7.51295    82.5143      96.5462     -97.4857     
1 1 1 6  11 39 o 0 36.1   7     ?    ?   236.148  -20.9769     162.751    -20.9769     48.3744     -20.9769     
1 1 1 6  11 40 o 0 107.3  15.3  ?    ?   383.431  126.557      305.609    126.557      140.765     126.557      
1 1 1 6  12 0  o 0 67.1   7.8   ?    ?   105.146  1.64694e-14  144.053    0            66.6423     -1.91307e-14 
1 1 1 6  12 1  o 0 394.1  29.7  ?    ?   749.525  79.9356      721.868    79.9356      173.691     79.9356      
1 1 1 6  12 3  o 0 78.2   6.1   ?    ?   376.946  77.0417      236.546    77.0417      35.4207     -102.958     
1 1 1 6  12 4  o 0 556.2  38.6  ?    ?   945.837  21.9987      811.315    21.9987      133.466     21.9987      
1 1 1 6  12 5  o 0 79.2   5.5   ?    ?   358.671  -47.4261     246.558    -47.4261     8.80488     132.574      
1 1 1 6  12 8  o 0 190.7  14.5  ?    ?   764.993  153.698      304.379    153.698      230.22      -26.3022     
1 1 1 6  12 9  o 0 103.7  8.2   ?    ?   349.277  -136.605     326.245    -136.605     83.6003     -136.605     
1 1 1 6  12 10 o 0 93.4   8.2   ?    ?   485.4    19.3371      205.978    19.3371      112.25      -160.663     
1 1 1 6  12 11 o 0 16.2   2.3   ?    ?   170.241  -1.32431     7.74389    178.676      118.701     178.676      
1 1 1 6  12 12 o 0 181.8  15.5  ?    ?   804.795  83.182       236.061    83.182       285.362     -96.818      
1 1 1 6  12 14 o 0 356.5  23.5  ?    ?   765.16   -83.6278     567.21     -83.6278     77.5993     -83.6278     
1 1 1 6  12 15 f 1 10.3   2.1   ?    ?   105.205  12.0299      25.227     -167.97      92.6379     -167.97      
1 1 1 6  12 16 o 0 355    23.4  ?    ?   635.004  -39.2254     629.637    -39.2254     224.552     -39.2254     
1 1 1 6  12 17 o 0 1635.2 105.7 ?    ?   1847.55  -4.78015     997.57     -4.78015     87.3155     175.22       
1 1 1 6  12 18 o 0 1737.8 112.3 ?    ?   1917.32  -123.84      1011.18    -123.84      105.826     56.1603      
1 1 1 6  12 19 o 0 258.5  22    ?    ?   562.459  -155.488     465.115    -155.488     139.182     -155.488     
1 1 1 6  12 20 o 0 128.3  13.8  ?    ?   454.007  -91.3192     273.635    -91.3192     12.8944     -91.3192     
1 1 1 6  12 21 o 0 966.6  103.1 ?    ?   1269.59  -170.469     799.677    -170.469     77.4606     -170.469     
1 1 1 6  12 22 o 0 729.1  60.5  ?    ?   873.963  3.12962      824.169    3.12962      333.095     3.12962      
1 1 1 6  12 23 o 0 81.9   8.1   ?    ?   424.153  109.268      168.82     109.268      66.9505     -70.7316     
1 1 1 6  12 24 o 0 123.9  10.6  ?    ?   516.664  167.69       225.047    167.69       62.1519     -12.3096     
1 1 1 6  12 25 f 1 74.4   7.3   ?    ?   469.274  65.9417      132.728    65.9417      140.57      -114.058     
1 1 1 6  12 26 o 0 191.8  14.3  ?    ?   481.241  79.1981      388.915    79.1981      108.637     79.1981      
1 1 1 6  12 27 o 0 132.3  11.1  ?    ?   545.21   -21.7918     242.919    -21.7918     64.0517     158.208      
1 1 1 6  12 28 o 0 9.7    5.6   ?    ?   174.025  43.8453      25.8993    -136.155     122.499     -136.155     
1 1 1 6  12 29 o 0 169.2  13.9  ?    ?   714.973  16.5984      242.576    16.5984      127.534     -163.402     
1 1 1 6  12 30 o 0 254.1  22    ?    ?   662.347  -28.8933     413.024    -28.8933     87.3678     -28.8933     
1 1 1 6  12 31 o 0 81.5   10.6  ?    ?   416.499  177.528      194.768    177.528      6.6884      -2.47227     
1 1 1 6  12 32 o 0 38.1   8.8   ?    ?   89.5781  66.3638      123.959    66.3638      81.9557     66.3638      
1 1 1 6  12 33 o 0 54.3   8     ?    ?   321.157  -79.0986     190.034    -79.0986     2.02786     100.901      
1 1 1 6  12 34 o 0 42.3   8.7   ?    ?   198.543  -98.6787     196.344    -98.6787     77.4451     -98.6787     
1 1 1 6  12 35 o 0 113.8  11.6  ?    ?   499.342  100.374      263.517    100.374      30.4548     -79.6264     
1 1 1 6  12 36 o 0 5.1    5.9   ?    ?   132.369  88.9246      1.97677    88.9246      72.7478     -91.0754     
1 1 1 6  12 37 o 0 5      6     ?    ?   35.7424  -156.215     6.9187     -156.215     12.2991     23.7849      
1 1 1 6  12 38 o 0 7.8    6.3   ?    ?   152.142  64.7346      23.4914    64.7346      55.6684     -115.265     
1 1 1 6  12 39 o 0 57.9   8.4   ?    ?   228.807  10.7144      241.816    10.7144      131.931     10.7144      
1 1 1 6  13 0  o 0 244    26.4  ?    ?   904.352  -1.95835e-14 511.185    0            149.733     180          
1 1 1 6  13 1  o 0 18     2.5   ?    ?   163.987  137.012      1.47404    137.012      117.67      -42.9882     
1 1 1 6  13 2  o 0 32.5   2.7   ?    ?   324.588  66.1766      52.4822    66.1766      181.911     -113.823     
1 1 1 6  13 3  o 0 163    10.8  ?    ?   847.653  154.648      189.632    154.648      418.671     -25.3523     
1 1 1 6  13 4  o 0 135.2  9.1   ?    ?   418.944  -30.4318     391.15     -30.4318     92.3859     -30.4318     
1 1 1 6  13 5  o 0 542    37.6  ?    ?   1021.81  -68.3476     733.779    -68.3476     9.64053     -68.3476     
1 1 1 6  13 7  o 0 56.6   4.7   ?    ?   321.726  -44.18       161.333    -44.18       51.4557     135.82       
1 1 1 6  13 8  f 1 419.8  31.6  ?    ?   640.576  -141.705     755.119    -141.705     333.14      -141.705     
1 1 1 6  13 9  o 0 1010.7 75.7  ?    ?   1269.99  -134.631     1003.47    -134.631     169.756     -134.631     
1 1 1 6  13 10 o 0 242.7  18.7  ?    ?   773.964  50.3196      379.243    50.3196      125.774     -129.68      
1 1 1 6  13 11 o 0 54.6   5.6   ?    ?   436.765  7.65765      96.7985    7.65765      186.456     -172.342     
1 1 1 6  13 12 o 0 193.2  15    ?    ?   756.261  56.4942      289.065    56.4942      198.343     -123.506     
1 1 1 6  13 13 o 0 239.2  17.1  ?    ?   602.633  48.9913      468.701    48.9913      82.7905     48.9913      
1 1 1 6  13 14 f 1 672.8  46.9  ?    ?   1085.71  -135.039     761.74     -135.039     65.5416     -135.039     
1 1 1 6  13 15 o 0 60.7   5.2   ?    ?   388.528  -109.012     137.807    -109.012     110.241     70.9884      
1 1 1 6  13 16 o 0 274.8  19.6  ?    ?   683.879  -176.884     435.434    -176.884     33.4987     -176.884     
1 1 1 6  13 17 o 0 688.6  44.8  ?    ?   1094.76  167.826      700.243    167.826      61.7715     167.826      
1 1 1 6  13 18 o 0 182.6  12.7  ?    ?   376.707  -103.43      425.663    -103.43      207.086     -103.43      
1 1 1 6  13 19 o 0 27.6   3.9   ?    ?   51.2581  8.48554      20.6283    8.48554      8.85652     -171.514     
1 1 1 6  13 20 o 0 53.8   7     ?    ?   306.996  -52.6528     129.521    -52.6528     45.4523     127.347      
1 1 1 6  13 21 o 0 406.8  38.6  ?    ?   886.77   118.753      483.327    118.753      16.0992     -61.2471     
1 1 1 6  13 22 o 0 67.7   8.6   ?    ?   454.869  131.049      114.037    131.049      139.505     -48.9511     
1 1 1 6  13 23 o 0 226.6  18.6  ?    ?   710.85   -73.4035     316.866    -73.4035     79.5541     106.596      
1 1 1 6  13 24 o 0 55.7   6.6   ?    ?   315.203  44.3427      142.961    44.3427      41.7726     -135.657     
1 1 1 6  13 25 o 0 281.2  19.6  ?    ?   777.876  -51.0221     376.266    -51.0221     78.7242     128.978      
1 1 1 6  13 26 o 0 348.4  24    ?    ?   712.545  -120.691     501.119    -120.691     89.6951     -120.691     
1 1 1 6  13 27 o 0 45.4   6.4   ?    ?   232.935  -81.2906     143.372    -81.2906     13.3627     -81.2906     
1 1 1 6  13 28 o 0 20.2   5.8   ?    ?   142.473  -133.133     51.0093    -133.133     23.194      46.8673      
1 1 1 6  13 29 o 0 50.9   7.4   ?    ?   387.745  -13.4728     113.003    -13.4728     85.9379     166.527      
1 1 1 6  13 30 o 0 108.5  11.2  ?    ?   365.826  -131.987     283.942    -131.987     105.68      -131.987     
1 1 1 6  13 31 o 0 21.9   7     ?    ?   226.169  85.186       64.0716    85.186       42.8398     -94.814      
1 1 1 6  13 32 f 1 32.8   7.1   ?    ?   132.192  118.475      130.458    118.475      66.3602     118.475      
1 1 1 6  13 33 o 0 6      8.6   ?    ?   133.067  -64.2853     8.9681     -64.2853     71.4787     115.715      
1 1 1 6  13 34 o 0 134.2  12.6  ?    ?   313.108  71.0596      419.093    71.0596      232.873     71.0596      
1 1 1 6  13 35 o 0 49     8.1   ?    ?   276.778  -149.626     190.344    -149.626     32.3859     -149.626     
1 1 1 6  13 36 o 0 15.9   6.9   ?    ?   108.621  21.932       79.0774    21.932       19.9917     21.932       
1 1 1 6  13 37 o 0 42     6.9   ?    ?   216.807  49.0562      192.073    49.0562      77.8652     49.0562      
1 1 1 6  13 38 o 0 82     8.8   ?    ?   370.465  -102.523     257.641    -102.523     77.3783     -102.523     
1 1 1 6  13 39 o 0 6.8    6.8   ?    ?   69.6965  121.978      44.8031    121.978      14.6773     121.978      
1 1 1 6  14 0  o 0 695.4  74.2  ?    ?   1260.23  180          804.52     180          58.6191     8.57976e-14  
1 1 1 6  14 1  f 1 63.6   5.3   ?    ?   314.225  -33.2345     197.919    -33.2345     15.6308     146.766      
1 1 1 6  14 2  f 1 13.8   2.2   ?    ?   256.952  11.4577      49.0888    -168.542     222.757     -168.542     
1 1 1 6  14 3  o 0 54.8   4.1   ?    ?   318.804  16.4739      158.067    16.4739      56.7281     -163.526     
1 1 1 6  14 4  o 0 653.1  45.3  ?    ?   1210.47  -143.255     703.053    -143.255     111.501     36.7452      
1 1 1 6  14 5  o 0 576.7  40    ?    ?   1336.56  -143.063     525.51     -143.063     368.551     36.937       
1 1 1 6  14 6  o 0 16.6   2     ?    ?   186.492  -164.216     8.37711    15.7836      132.38      15.7836      
1 1 1 6  14 7  o 0 185.8  15.4  ?    ?   608.683  -166.393     370.506    -166.393     31.7875     13.6073      
1 1 1 6  14 8  o 0 327.4  24.7  ?    ?   747.957  112.597      545.323    112.597      53.9677     112.597      
1 1 1 6  14 9  o 0 1820.7 149.1 ?    ?   1488.36  30.246       1462.4     30.246       490.613     30.246       
1 1 1 6  14 10 o 0 50.6   5.5   ?    ?   310.738  -60.9976     138.478    -60.9976     63.1595     119.002      
1 1 1 6  14 11 o 0 95     10    ?    ?   384.713  84.0225      260.042    84.0225      11.9719     84.0225      
1 1 1 6  14 12 o 0 165.3  14.4  ?    ?   482.041  67.5881      383.235    67.5881      71.1234     67.5881      
1 1 1 6  14 14 o 0 80.9   7.3   ?    ?   230.675  -141.107     262.874    -141.107     115.535     -141.107     
1 1 1 6  14 15 o 0 13.5   2.5   ?    ?   81.9929  70.0384      8.46106    -109.962     56.6768     -109.962     
1 1 1 6  14 16 o 0 298.6  19.9  ?    ?   842.605  -146.993     380.093    -146.993     113.155     33.0068      
1 1 1 6  14 17 o 0 351.7  25    ?    ?   720.101  100.729      519.516    100.729      101.337     100.729      
1 1 1 6  14 18 o 0 288.2  22.3  ?    ?   656.577  77.5475      458.543    77.5475      80.4582     77.5475      
1 1 1 6  14 19 o 0 39.2   4.7   ?    ?   145.804  41.5421      92.5405    41.5421      9.50548     41.5421      
1 1 1 6  14 20 o 0 73.1   8     ?    ?   404.275  -86.7168     155.017    -86.7168     73.054      93.2832      
1 1 1 6  14 21 o 0 645.9  54.1  ?    ?   1045.09  30.305       650.059    30.305       66.3281     30.305       
1 1 1 6  14 22 o 0 743.6  56.7  ?    ?   1068.06  161.173      714.741    161.173      117.637     161.173      
1 1 1 6  14 23 o 0 200.1  19.1  ?    ?   649.368  -104.488     320.213    -104.488     61.4866     75.512       
1 1 1 6  14 24 o 0 46.2   6.1   ?    ?   184.935  -45.5856     145.146    -45.5856     36.6037     -45.5856     
1 1 1 6  14 25 o 0 64.7   7.1   ?    ?   308.184  -110.832     176.382    -110.832     2.26837     69.1678      
1 1 1 6  14 26 o 0 456    30.7  ?    ?   804.513  -178.809     588.441    -178.809     137.388     -178.809     
1 1 1 6  14 27 o 0 9.9    5.2   ?    ?   53.2222  136.589      1.06205    -43.4109     28.9226     -43.4109     
1 1 1 6  14 28 o 0 19     5.6   ?    ?   216.968  -154.317     36.8967    -154.317     75.0575     25.6829      
1 1 1 6  14 29 o 0 47.4   7     ?    ?   329.24   172.44       133.158    172.44       28.2902     -7.56022     
1 1 1 6  14 30 o 0 43.5   9.3   ?    ?   283.918  105.214      137.713    105.214      2.56811     105.214      
1 1 1 6  14 31 o 0 103.4  10.8  ?    ?   438.338  -72.0149     233.509    -72.0149     18.7918     -72.0149     
1 1 1 6  14 32 o 0 41.8   7.7   ?    ?   361.915  -174.391     117.32     -174.391     98.9442     5.60931      
1 1 1 6  14 33 o 0 41.9   8.5   ?    ?   164.727  -88.0779     206.199    -88.0779     107.564     -88.0779     
1 1 1 6  14 34 o 0 6.1    6.3   ?    ?   156.134  -140.677     2.49605    39.3226      94.4653     39.3226      
1 1 1 6  14 35 o 0 34.3   6.9   ?    ?   171.723  115.457      173.739    115.457      76.6775     115.457      
1 1 1 6  14 36 o 0 34.1   6.4   ?    ?   286.456  -27.1236     125.69     -27.1236     28.6315     152.876      
1 1 1 6  14 37 o 0 13.6   6.2   ?    ?   140.37   5.55629      64.4533    5.55629      8.77734     -174.444     
1 1 1 6  14 38 o 0 20.4   6.7   ?    ?   318.333  12.6446      44.3786    12.6446      109.025     -167.355     
1 1 1 6  15 1  o 0 39.6   3.7   ?    ?   246.173  -104.753     112.675    -104.753     54.4257     75.2468      
1 1 1 6  15 2  o 0 53.6   4.7   ?    ?   441.373  -175.867     94.2473    -175.867     203.872     4.13294      
1 1 1 6  15 3  o 0 17     2.3   ?    ?   185.076  -63.6648     5.7489     116.335      130.101     116.335      
1 1 1 6  15 4  o 0 726.8  54.4  ?    ?   1340.83  152.54       694.905    152.54       201.071     -27.4602     
1 1 1 6  15 5  o 0 312.1  21.9  ?    ?   717.277  -101.312     546.008    -101.312     69.4072     -101.312     
1 1 1 6  15 6  o 0 19.7   2.3   ?    ?   155.468  -67.507      13.3558    -67.507      89.3503     112.493      
1 1 1 6  15 7  o 0 16.8   2     ?    ?   115.087  -57.8466     1.46597    -57.8466     74.1158     122.153      
1 1 1 6  15 8  o 0 233.4  17.9  ?    ?   745.151  104.356      380.197    104.356      106.234     -75.6443     
1 1 1 6  15 9  o 0 1411.4 115.4 ?    ?   1238.07  54.2411      1341.31    54.2411      538.053     54.2411      
1 1 1 6  15 10 o 0 31.3   4.4   ?    ?   244.739  -144.092     62.3779    -144.092     97.0939     35.9076      
1 1 1 6  15 11 o 0 54.1   5.4   ?    ?   288.692  152.005      155.408    152.005      31.495      -27.9952     
1 1 1 6  15 12 o 0 604.8  45.6  ?    ?   1047.75  29.8378      707.037    29.8378      33.1976     29.8378      
1 1 1 6  15 13 o 0 226.6  19.6  ?    ?   809.408  -174.586     288.341    -174.586     191.08      5.41407      
1 1 1 6  15 14 o 0 390.9  32.8  ?    ?   905.774  -28.6793     476.773    -28.6793     55.8997     151.321      
1 1 1 6  15 15 o 0 179.3  14.5  ?    ?   571.061  84.8042      326.813    84.8042      7.5375      -95.1958     
1 1 1 6  15 16 o 0 312    22.3  ?    ?   932.902  -44.937      346.17     -44.937      195.769     135.063      
1 1 1 6  15 17 o 0 316.9  22.5  ?    ?   908.117  163.935      363.825    163.935      159.387     -16.0645     
1 1 1 6  15 18 o 0 282.9  21.9  ?    ?   963.449  139.073      281.773    139.073      267.335     -40.9266     
1 1 1 6  15 19 o 0 67.4   6.7   ?    ?   292.223  -2.41888     181.682    -2.41888     16.6493     -2.41888     
1 1 1 6  15 20 o 0 8.1    4.1   ?    ?   204.323  126.481      60.9303    -53.5192     175.213     -53.5192     
1 1 1 6  15 21 f 1 337.5  26.7  ?    ?   616.462  43.1046      529.964    43.1046      185.61      43.1046      
1 1 1 6  15 22 o 0 305    24.8  ?    ?   395.884  69.421       624.237    69.421       391.033     69.421       
1 1 1 6  15 23 f 1 28.5   7.4   ?    ?   324.033  44.5686      31.0865    44.5686      159.101     -135.431     
1 1 1 6  15 24 o 0 4.9    5.7   ?    ?   187.7    164.578      62.6256    -15.422      171.768     -15.422      
1 1 1 6  15 25 o 0 53.5   6.5   ?    ?   252.044  144.003      168.516    144.003      26.6997     144.003      
1 1 1 6  15 26 o 0 202.3  15    ?    ?   626.703  -0.0176155   350.312    -0.0176155   20.896      -0.0176155   
1 1 1 6  15 27 f 1 111.7  10.4  ?    ?   476.865  96.7416      241.151    96.7416      5.42518     -83.2584     
1 1 1 6  15 28 o 0 21.4   7     ?    ?   97.4212  19.4552      52.8153    19.4552      4.79156     19.4552      
1 1 1 6  15 29 o 0 122.9  15    ?    ?   407.299  8.17358      299.856    8.17358      104.844     8.17358      
1 1 1 6  15 30 o 0 57.8   7.6   ?    ?   288.26   136.046      183.276    136.046      47.4298     136.046      
1 1 1 6  15 31 o 0 107.6  9.6   ?    ?   372.344  -159.365     334.906    -159.365     110.823     -159.365     
1 1 1 6  15 32 o 0 2.2    6.4   ?    ?   52.7285  -5.98651     4.67306    174.013      36.4917     174.013      
1 1 1 6  15 33 o 0 84.9   9.6   ?    ?   413.755  130.718      236.195    130.718      9.58429     -49.2821     
1 1 1 6  15 34 o 0 25.3   8     ?    ?   128.494  -173.799     133.308    -173.799     60.0167     -173.799     
1 1 1 6  15 35 o 0 9.3    6.6   ?    ?   150.4    -108.951     29.647     -108.951     52.1739     71.0491      
1 1 1 6  15 36 o 0 14.6   6.7   ?    ?   70.1653  2.03176      69.2037    2.03176      32.2131     2.03176      
1 1 1 6  15 37 o 0 19.9   7.4   ?    ?   121.825  -162.177     112.254    -162.177     52.8871     -162.177     
1 1 1 6  15 38 o 0 47.6   8     ?    ?   303.602  -30.3432     187.999    -30.3432     56.4791     -30.3432     
1 1 1 6  16 1  f 1 92.7   7.6   ?    ?   188.358  -179.763     323.214    -179.763     196.87      -179.763     
1 1 1 6  16 2  o 0 33.1   3.6   ?    ?   298.177  -135.497     62.9789    -135.497     136.649     44.5028      
1 1 1 6  16 3  f 1 488.7  40.3  ?    ?   843.983  -28.4095     731.184    -28.4095     170.305     -28.4095     
1 1 1 6  16 4  o 0 1956.6 135   ?    ?   1600.13  -105.372     1524.64    -105.372     463.946     -105.372     
1 1 1 6  16 5  o 0 360.3  27.3  ?    ?   917.46   162.921      493.927    162.921      110.985     -17.0793     
1 1 1 6  16 6  o 0 385.9  26.9  ?    ?   880.867  91.3659      553.634    91.3659      23.924      -88.6341     
1 1 1 6  16 7  o 0 160.6  12.5  ?    ?   591.197  -74.6268     316.055    -74.6268     73.4474     105.373      
1 1 1 6  16 8  o 0 581.2  43.9  ?    ?   773.926  37.7578      864.437    37.7578      357.567     37.7578      
1 1 1 6  16 9  o 0 407.5  31    ?    ?   667.741  167.696      699.277    167.696      264.621     167.696      
1 1 1 6  16 10 o 0 22.1   3.6   ?    ?   353.574  153.987      25.177     -26.0127     237.263     -26.0127     
1 1 1 6  16 11 o 0 47.3   5.1   ?    ?   371.816  -106.397     86.5342    -106.397     135.041     73.6031      
1 1 1 6  16 12 o 0 131.3  11.8  ?    ?   192.837  -155.236     378.144    -155.236     264.003     -155.236     
1 1 1 6  16 13 o 0 776.5  64    ?    ?   1398.76  -42.5594     607.737    -42.5594     216.899     137.441      
1 1 1 6  16 14 o 0 72.9   8.1   ?    ?   313.601  13.5716      194.763    13.5716      11.2327     13.5716      
1 1 1 6  16 15 o 0 50.4   5.8   ?    ?   124.769  -75.7298     120.728    -75.7298     48.2679     -75.7298     
1 1 1 6  16 16 f 1 282    26.9  ?    ?   723.791  30.2054      414.365    30.2054      0.641902    -149.795     
1 1 1 6  16 17 o 0 253.9  21.9  ?    ?   722.229  71.4334      368.262    71.4334      43.4217     -108.567     
1 1 1 6  16 18 o 0 59.5   6.6   ?    ?   287.07   -128.863     157.738    -128.863     4.44819     51.1369      
1 1 1 6  16 19 o 0 20.5   4.4   ?    ?   131.008  -126.65      22.3446    -126.65      51.8275     53.3496      
1 1 1 6  16 20 o 0 61.6   7.2   ?    ?   283.779  92.821       166.941    92.821       7.85113     92.821       
1 1 1 6  16 21 o 0 136.6  11.7  ?    ?   294.701  -173.857     372.519    -173.857     198.678     -173.857     
1 1 1 6  16 22 o 0 287.8  26.4  ?    ?   803.518  10.4939      372.168    10.4939      101.51      -169.506     
1 1 1 6  16 23 o 0 78.3   10.2  ?    ?   172.925  59.6747      250.536    59.6747      149.762     59.6747      
1 1 1 6  16 24 o 0 150.9  13.9  ?    ?   371.467  107.612      368.461    107.612      158.887     107.612      
1 1 1 6  16 25 o 0 62.5   7.9   ?    ?   404.645  34.273       147.246    34.273       66.126      -145.727     
1 1 1 6  16 26 o 0 331.8  26.6  ?    ?   979.269  -28.258      358.355    -28.258      151.188     151.742      
1 1 1 6  16 27 f 1 56.4   9     ?    ?   344.832  -119.911     157.894    -119.91      12.3743     60.0895      
1 1 1 6  16 28 o 0 23.8   6.1   ?    ?   159.722  93.2336      86.186     93.2336      9.34409     93.2336      
1 1 1 6  16 29 o 0 12.4   6.1   ?    ?   221.332  -44.4481     6.04666    -44.4481     98.8227     135.552      
1 1 1 6  16 30 o 0 26.4   6.2   ?    ?   235.417  -150.248     104.934    -150.248     37.5958     29.7521      
1 1 1 6  16 31 o 0 14.8   5.8   ?    ?   82.9679  134.012      55.6689    134.012      5.27048     134.012      
1 1 1 6  16 32 o 0 46.3   6.6   ?    ?   275.362  16.6943      181.976    16.6943      17.2147     16.6943      
1 1 1 6  16 33 o 0 1.6    5.7   ?    ?   26.4703  112.975      1.35614    -67.0252     16.5741     -67.0252     
1 1 1 6  16 34 o 0 191.1  17.9  ?    ?   520.397  52.5992      417.816    52.5992      132.276     52.5992      
1 1 1 6  16 35 o 0 7.2    9.8   ?    ?   138.378  -139.046     35.5509    -139.046     38.0768     40.9541      
1 1 1 6  16 36 o 0 94.3   10.3  ?    ?   478.097  131.461      241.01     131.461      5.70794     131.461      
1 1 1 6  16 37 o 0 8      6.5   ?    ?   121.978  138.882      51.4787    138.882      1.92448     -41.1182     
1 1 1 6  17 0  o 0 234.2  25.5  ?    ?   259.515  4.4374e-14   453.049    0            277.845     -2.79815e-14 
1 1 1 6  17 1  o 0 188.1  14.7  ?    ?   667.749  174.501      337.735    174.501      111.473     -5.49889     
1 1 1 6  17 2  o 0 6.6    2.8   ?    ?   37.6518  32.3149      15.2754    -147.685     40.5029     -147.685     
1 1 1 6  17 3  o 0 120.6  9.7   ?    ?   455.102  -70.6673     299.051    -70.6673     4.5301      109.333      
1 1 1 6  17 4  o 0 1841.2 127.1 ?    ?   1656.64  -85.1595     1391.7     -85.1595     291.872     -85.1595     
1 1 1 6  17 5  o 0 496.1  32.4  ?    ?   1197.7   85.0502      496.346    85.0502      294.767     -94.9498     
1 1 1 6  17 6  o 0 186.4  13.5  ?    ?   600.349  76.0138      367        76.0138      27.4292     -103.986     
1 1 1 6  17 7  o 0 70.4   6.5   ?    ?   325.362  -139.583     190.016    -139.583     7.10681     40.4168      
1 1 1 6  17 8  o 0 343.4  28.6  ?    ?   1132.44  -103.256     290.515    -103.256     391.583     76.744       
1 1 1 6  17 9  o 0 721    54.1  ?    ?   1040.5   64.1524      780.402    64.1524      157.487     64.1524      
1 1 1 6  17 10 o 0 124.9  10.6  ?    ?   632.985  6.3539       182.602    6.3539       195.107     -173.646     
1 1 1 6  17 11 o 0 88     8.2   ?    ?   422.504  9.39101      195.747    9.39101      54.7105     -170.609     
1 1 1 6  17 12 o 0 116.4  11.3  ?    ?   636.148  -111.691     158.05     -111.691     216.473     68.3093      
1 1 1 6  17 13 o 0 1327.2 99.6  ?    ?   1379.9   -79.4417     1045.56    -79.4417     238.966     -79.4417     
1 1 1 6  17 14 o 0 241.4  20.9  ?    ?   661.995  -176.209     384.718    -176.209     0.649658    -176.209     
1 1 1 6  17 15 o 0 94.8   10.7  ?    ?   363.073  -124.149     236.502    -124.149     27.9558     -124.149     
1 1 1 6  17 16 o 0 195.6  17.3  ?    ?   599.186  -86.568      335.297    -86.568      6.05013     93.432       
1 1 1 6  17 17 o 0 657.5  61    ?    ?   1047.37  57.116       664.221    57.116       72.6858     57.116       
1 1 1 6  17 18 f 1 14.9   5.4   ?    ?   79.3563  141.637      0.847816   -38.363      45.6585     -38.363      
1 1 1 6  17 19 o 0 34     5.8   ?    ?   258.086  117.633      76.327     117.633      77.5432     -62.3667     
1 1 1 6  17 20 o 0 306.2  22.6  ?    ?   715.352  -111.05      456.211    -111.05      29.6197     -111.05      
1 1 1 6  17 21 o 0 -1.5   4.3   ?    ?   53.304   95.1123      25.5443    -84.8877     56.9977     -84.8877     
1 1 1 6  17 22 o 0 551.4  39.6  ?    ?   979.962  70.1691      607.345    70.1691      46.9814     70.1691      
1 1 1 6  17 23 o 0 58.6   7.9   ?    ?   432.586  -68.7363     108.122    -68.7363     136.373     111.264      
1 1 1 6  17 24 o 0 8.8    6.9   ?    ?   54.7806  -24.0287     2.54236    155.971      31.4938     155.971      
1 1 1 6  17 25 o 0 51.4   8     ?    ?   265.16   59.7957      165.224    59.7957      26.8746     59.7957      
1 1 1 6  17 26 o 0 743.3  56.2  ?    ?   1069.89  -124.517     743.962    -124.517     212.595     -124.517     
1 1 1 6  17 27 o 0 66.3   8.4   ?    ?   311.22   -96.3481     205.029    -96.3481     54.7334     -96.3481     
1 1 1 6  17 28 o 0 7.6    6.3   ?    ?   58.836   130.864      0.0575728  130.864      27.9407     -49.1361     
1 1 1 6  17 29 o 0 13.8   5.2   ?    ?   65.1299  174.187      31.9707    174.187      7.65519     -5.81347     
1 1 1 6  17 30 o 0 23     5.4   ?    ?   227.846  -124.414     93.6297    -124.414     45.5373     55.5858      
1 1 1 6  17 31 o 0 96     9.1   ?    ?   395.118  5.8111       283.354    5.8111       45.4905     5.8111       
1 1 1 6  17 32 o 0 25.7   5.9   ?    ?   229.756  68.1654      111.845    68.1654      21.1342     -111.835     
1 1 1 6  17 33 o 0 78.5   9.2   ?    ?   279.412  -52.2155     292.439    -52.2155     137.994     -52.2155     
1 1 1 6  17 34 o 0 99.1   10.6  ?    ?   442.719  112.635      264.873    112.635      27.4187     112.635      
1 1 1 6  17 35 o 0 21.1   7.9   ?    ?   219.181  65.8486      90.3505    65.8486      18.4606     -114.151     
1 1 1 6  17 36 o 0 30.7   8     ?    ?   215.162  -80.0628     155.663    -80.0628     60.5802     -80.0628     
1 1 1 6  18 0  o 0 248.5  27.1  ?    ?   227.913  -180         425.35     180          284.305     180          
1 1 1 6  18 1  o 0 165.9  13    ?    ?   742.09   -176.139     221.208    -176.139     236.604     3.86067      
1 1 1 6  18 2  f 1 48.5   5.5   ?    ?   310.746  94.0613      118.527    94.0613      71.9959     -85.9387     
1 1 1 6  18 3  o 0 1123.8 77.9  ?    ?   1527.71  140.521      863.693    140.521      71.5823     -39.4792     
1 1 1 6  18 4  o 0 1224.1 85    ?    ?   1206.17  65.8405      1129.68    65.8405      394.532     65.8405      
1 1 1 6  18 5  o 0 520.1  36.5  ?    ?   1003.03  -34.3315     598.326    -34.3315     10.0769     145.669      
1 1 1 6  18 6  f 1 84.2   7.6   ?    ?   509.161  -98.9472     145.667    -98.9472     161.739     81.0528      
1 1 1 6  18 7  o 0 163.8  12.2  ?    ?   446.636  94.5579      369.815    94.5579      100.931     94.5579      
1 1 1 6  18 8  f 1 111    8.8   ?    ?   274.521  163.147      320.27     163.147      156.371     163.147      
1 1 1 6  18 9  o 0 147.5  10.5  ?    ?   317.893  -64.8152     388.957    -64.8152     199.817     -64.8152     
1 1 1 6  18 10 o 0 326.9  35.9  ?    ?   853.614  -62.3233     415.52     -62.3233     89.1659     117.677      
1 1 1 6  18 11 o 0 54.1   6.2   ?    ?   131.726  118.163      137.863    118.163      60.4956     118.163      
1 1 1 6  18 12 o 0 856    64.5  ?    ?   903.305  -149.42      953.788    -149.42      428.045     -149.42      
1 1 1 6  18 13 o 0 390.3  30.3  ?    ?   995.1    -151.638     416.964    -151.638     158.018     28.3619      
1 1 1 6  18 14 o 0 295.8  25.5  ?    ?   663.338  -18.2355     465.842    -18.2355     85.4618     -18.2355     
1 1 1 6  18 15 o 0 30.5   5.4   ?    ?   125.719  103.506      54.8496    103.506      16.6693     -76.494      
1 1 1 6  18 16 o 0 338.2  32.2  ?    ?   681.252  -46.3803     503.943    -46.3803     115.194     -46.3803     
1 1 1 6  18 17 o 0 60.8   8.3   ?    ?   482.857  -158.193     79.7179    -158.193     193.406     21.8068      
1 1 1 6  18 19 o 0 126.2  13.7  ?    ?   442.047  68.3808      282.572    68.3808      19.0243     68.3808      
1 1 1 6  18 20 o 0 210.8  20    ?    ?   659.382  129.188      329.803    129.188      59.3298     -50.8122     
1 1 1 6  18 21 o 0 51.5   6.8   ?    ?   318.475  -160.995     138.748    -160.995     43.4537     19.0054      
1 1 1 6  18 22 o 0 484.2  42.4  ?    ?   998.308  -80.2622     512.245    -80.2622     52.5047     99.7378      
1 1 1 6  18 23 o 0 25.6   6.3   ?    ?   246.395  39.1167      66.6812    39.1167      63.7128     -140.883     
1 1 1 6  18 24 o 0 33.8   5.6   ?    ?   208.624  -41.1485     113.258    -41.1485     4.21072     -41.1485     
1 1 1 6  18 25 o 0 123.9  12    ?    ?   581.793  47.7865      227.941    47.7865      61.668      -132.213     
1 1 1 6  18 26 o 0 113.7  15.1  ?    ?   541.914  141.496      223.164    141.496      39.2659     -38.5035     
1 1 1 6  18 27 o 0 73.8   8.7   ?    ?   373.24   -126.768     198.859    -126.768     20.6583     -126.768     
1 1 1 6  18 28 o 0 52.2   6.8   ?    ?   221.41   30.2497      233.787    30.2497      98.5595     30.2497      
1 1 1 6  18 29 o 0 21     5.4   ?    ?   166.43   125.966      104.289    125.966      2.18552     125.966      
1 1 1 6  18 30 o 0 6.6    5     ?    ?   124.44   -129.427     3.30981    -129.427     71.9785     50.5729      
1 1 1 6  18 31 o 0 54     7.6   ?    ?   238.965  -48.1254     233.061    -48.1254     93.9768     -48.1254     
1 1 1 6  18 32 f 1 24.2   6     ?    ?   168.497  -155.776     125.968    -155.776     29.8412     -155.776     
1 1 1 6  18 33 o 0 6.6    5.4   ?    ?   51.759   -31.55       13.4667    -31.55       14.8044     148.45       
1 1 1 6  18 34 o 0 17.8   5.9   ?    ?   249.883  -109.56      55.1715    -109.56      77.2601     70.4396      
1 1 1 6  18 35 o 0 36     7.8   ?    ?   242.009  -50.0553     157.992    -50.0553     39.2823     -50.0553     
1 1 1 6  19 0  o 0 58.3   8.1   ?    ?   394.033  -180         199.901    180          41.6644     8.63946e-14  
1 1 1 6  19 1  o 0 1174   87.7  ?    ?   1638.65  -1.71956     826.193    -1.71956     175.663     178.28       
1 1 1 6  19 2  o 0 37.6   4.3   ?    ?   368.133  -49.3371     48.3378    -49.3371     176.008     130.663      
1 1 1 6  19 3  o 0 410.9  34.5  ?    ?   890.458  46.4819      524.574    46.4819      16.0698     -133.518     
1 1 1 6  19 4  o 0 406    31.1  ?    ?   852.905  -176.211     538.489    -176.211     22.7897     -176.211     
1 1 1 6  19 5  o 0 911.2  63.5  ?    ?   1351.81  -120.499     772.915    -120.499     40.7347     59.5014      
1 1 1 6  19 6  o 0 93.6   7.9   ?    ?   394.789  -13.5153     226.585    -13.5153     9.86914     166.485      
1 1 1 6  19 7  o 0 106.4  8.7   ?    ?   169.175  -135.504     313.779    -135.504     212.986     -135.504     
1 1 1 6  19 8  o 0 755    49.2  ?    ?   1029.51  55.8478      807.574    55.8478      197.64      55.8478      
1 1 1 6  19 9  o 0 213.6  14.8  ?    ?   765.807  162.619      288.258    162.619      161.782     -17.3807     
1 1 1 6  19 10 o 0 112.9  10.9  ?    ?   514.461  131.982      214.337    131.982      86.1022     -48.0178     
1 1 1 6  19 11 f 1 76.2   8     ?    ?   320.298  -176.528     204.322    -176.528     18.9832     -176.528     
1 1 1 6  19 12 o 0 461.4  35.5  ?    ?   1046.15  129.104      474.426    129.104      128.273     -50.8964     
1 1 1 6  19 13 o 0 540    50    ?    ?   973.079  165.773      595.515    165.773      38.9982     165.773      
1 1 1 6  19 14 o 0 124.5  13.5  ?    ?   302.561  -80.6926     332.444    -80.6926     158.751     -80.6926     
1 1 1 6  19 15 o 0 4.1    4.7   ?    ?   147.782  -44.3122     55.6011    135.688      139.756     135.688      
1 1 1 6  19 16 o 0 72.2   9.1   ?    ?   419.695  -164.54      153.683    -164.54      98.2707     15.4604      
1 1 1 6  19 17 o 0 48.8   7.7   ?    ?   429.635  -98.0347     69.513     -98.0347     188.756     81.9653      
1 1 1 6  19 18 o 0 794.4  66.4  ?    ?   1116.91  73.781       758.74     73.781       93.5894     73.781       
1 1 1 6  19 19 o 0 65.3   9.9   ?    ?   245.721  -18.3267     214.151    -18.3267     72.1678     -18.3267     
1 1 1 6  19 20 o 0 152.8  17.1  ?    ?   477.724  85.9164      323.161    85.9164      49.9627     85.9164      
1 1 1 6  19 21 o 0 105.3  10.7  ?    ?   513.564  -12.0694     197.591    -12.0694     92.9318     167.931      
1 1 1 6  19 22 o 0 25.3   5     ?    ?   328.637  38.4934      37.2007    38.4934      136.786     -141.507     
1 1 1 6  19 23 o 0 30     6.9   ?    ?   334.597  110.652      64.7933    110.652      104.08      -69.3483     
1 1 1 6  19 24 o 0 25.4   5.5   ?    ?   52.4651  59.1801      47.2872    59.1801      21.1369     59.1801      
1 1 1 6  19 25 o 0 23.3   5.5   ?    ?   373.958  95.974       22.1853    95.974       159.232     -84.026      
1 1 1 6  19 26 o 0 72.7   8.7   ?    ?   370.496  2.02554      197.299    2.02554      20.0049     2.02554      
1 1 1 6  19 27 o 0 60.8   8.3   ?    ?   414.811  -29.2864     168.703    -29.2864     85.3556     150.714      
1 1 1 6  19 28 o 0 9.8    5     ?    ?   59.7014  -38.7619     19.812     -38.7619     16.9366     141.238      
1 1 1 6  19 29 o 0 50.5   7.6   ?    ?   468.563  -62.9441     93.4249    -62.944      191.168     117.056      
1 1 1 6  19 30 o 0 67.6   7.8   ?    ?   259.231  132.095      272.751    132.095      121.197     132.095      
1 1 1 6  19 31 o 0 14.5   7     ?    ?   298.758  133.705      0.108051   133.705      171.637     -46.2947     
1 1 1 6  19 32 o 0 11.9   5.1   ?    ?   165.271  -128.541     45.7211    -128.541     45.0617     51.4589      
1 1 1 6  19 33 o 0 3.1    5.4   ?    ?   114.174  70.4561      0.905815   70.4561      59.9834     -109.544     
1 1 1 6  19 34 o 0 3.3    6.3   ?    ?   133.047  52.5958      11.4468    52.5958      54.2661     -127.404     
1 1 1 6  19 35 o 0 65.6   10.4  ?    ?   371.836  149.88       217.687    149.88       54.1103     149.88       
1 1 1 6  20 0  o 0 188.9  21.1  ?    ?   344.746  -5.71687e-14 365.214    0            156.661     7.61053e-14  
1 1 1 6  20 1  o 0 813.6  56.6  ?    ?   1310.58  -2.39927     710.579    -2.39927     80.3879     177.601      
1 1 1 6  20 2  o 0 9.9    4     ?    ?   97.2158  -147.695     24.4802    32.3054      82.9823     32.3054      
1 1 1 6  20 3  o 0 616.3  51.4  ?    ?   1028.47  -47.981      674.659    -47.981      57.8508     -47.981      
1 1 1 6  20 4  o 0 292.2  25.3  ?    ?   625.982  155.647      499.413    155.647      126.246     155.647      
1 1 1 6  20 5  f 1 443.4  37.5  ?    ?   1012.03  129.323      486.526    129.323      112.64      -50.6766     
1 1 1 6  20 6  f 1 25.5   4.8   ?    ?   244.791  20.467       31.5459    20.467       112.7       -159.533     
1 1 1 6  20 7  o 0 40.6   5.2   ?    ?   250.993  -116.186     101.038    -116.186     46.4881     63.8136      
1 1 1 6  20 8  o 0 536.8  37.7  ?    ?   805.439  -2.37491     704.482    -2.37491     233.66      -2.37491     
1 1 1 6  20 9  f 1 1189.2 77.6  ?    ?   1666.04  -31.6318     786.8      -31.6318     178.915     148.368      
1 1 1 6  20 10 o 0 994.9  64.7  ?    ?   1502.89  163.84       725.51     163.84       142.461     -16.1601     
1 1 1 6  20 11 o 0 88.4   9.6   ?    ?   296.21   20.0259      248.818    20.0259      76.9117     20.0259      
1 1 1 6  20 12 o 0 217.4  19.4  ?    ?   670.631  165.206      333.29     165.206      53.2094     -14.7941     
1 1 1 6  20 14 o 0 106    10.8  ?    ?   416.38   49.1636      251.79     49.1636      0.477176    49.1636      
1 1 1 6  20 15 o 0 23.9   6     ?    ?   86.2796  -124.178     37.5219    -124.178     14.6635     55.8221      
1 1 1 6  20 16 o 0 84.4   13.6  ?    ?   250.228  178.864      262.425    178.864      112.37      178.864      
1 1 1 6  20 17 o 0 392.9  39    ?    ?   804.996  -25.5003     515.486    -25.5003     37.0939     -25.5003     
1 1 1 6  20 18 o 0 172.2  17.7  ?    ?   563.27   17.9376      319.757    17.9376      5.14764     -162.062     
1 1 1 6  20 19 o 0 11.9   7.3   ?    ?   147.646  -125.081     7.44457    54.9195      91.7645     54.9195      
1 1 1 6  20 20 o 0 59.3   9.5   ?    ?   220.354  48.6844      209.492    48.6844      91.611      48.6844      
1 1 1 6  20 21 o 0 76.5   11.1  ?    ?   393.956  100.996      192.389    100.996      16.0602     -79.0043     
1 1 1 6  20 22 f 1 129.5  14.9  ?    ?   465.385  -12.2653     296.301    -12.2653     62.0555     -12.2653     
1 1 1 6  20 23 o 0 14.2   4.4   ?    ?   270.375  -23.4435     2.44549    -23.4435     132.359     156.556      
1 1 1 6  20 24 o 0 4.7    4.1   ?    ?   26.4285  11.7243      4.38958    -168.276     17.2206     -168.276     
1 1 1 6  20 25 o 0 3.2    4.6   ?    ?   102.621  -28.3849     19.9945    151.615      71.4335     151.615      
1 1 1 6  20 26 o 0 150.1  14.6  ?    ?   505.992  -11.6617     369.853    -11.6617     59.4079     -11.6617     
1 1 1 6  20 27 o 0 34.3   6.1   ?    ?   177.935  102.562      175.769    102.562      65.9947     102.562      
1 1 1 6  20 28 o 0 35.1   6.5   ?    ?   199.221  -144.642     171.38     -144.642     50.0395     -144.642     
1 1 1 6  20 29 f 1 9.6    4.7   ?    ?   90.7895  -67.8241     33.8843    -67.8241     19.235      112.176      
1 1 1 6  20 30 o 0 1.1    5     ?    ?   120.982  -83.1808     21.7022    96.8192      91.5232     96.8192      
1 1 1 6  20 31 o 0 0.7    5.4   ?    ?   146.841  76.6201      23.3529    -103.38      104.376     -103.38      
1 1 1 6  20 32 f 1 6      5.3   ?    ?   191.584  -72.7528     3.54087    107.247      105.971     107.247      
1 1 1 6  20 33 o 0 -4.2   5.5   ?    ?   28.8197  -169.794     2.80731    10.2064      17.1229     10.2064      
1 1 1 6  20 34 o 0 10     6.1   ?    ?   194.927  20.4211      43.4318    20.4211      42.8628     -159.579     
1 1 1 6  21 0  o 0 365.5  40.8  ?    ?   884.684  180          500.893    180          25.6209     -4.15295e-13 
1 1 1 6  21 1  o 0 431.8  30.7  ?    ?   1039.13  139.294      457.605    139.294      159.581     -40.706      
1 1 1 6  21 2  f 1 24     4.7   ?    ?   120.045  -117.87      30.8473    -117.87      40.0857     62.1303      
1 1 1 6  21 3  o 0 308.9  22.4  ?    ?   760.609  138.049      446.589    138.049      2.60743     -41.9506     
1 1 1 6  21 4  o 0 178.8  16.8  ?    ?   450.203  -86.0745     391.477    -86.0745     126.554     -86.0745     
1 1 1 6  21 5  o 0 504.8  42.6  ?    ?   798.114  -42.5061     671.692    -42.5061     203.947     -42.5061     
1 1 1 6  21 6  o 0 14.2   4.8   ?    ?   102.877  -77.063      8.35094    102.937      68.3717     102.937      
1 1 1 6  21 7  o 0 22.6   4.6   ?    ?   134.099  -84.9651     32.5904    -84.9651     46.1584     95.0349      
1 1 1 6  21 8  o 0 1558.9 108.1 ?    ?   1703.74  -92.8425     987.692    -92.8425     7.48241     87.1575      
1 1 1 6  21 9  o 0 183.8  17.8  ?    ?   770.376  -10.1724     220.675    -10.1724     226.726     169.828      
1 1 1 6  21 10 f 1 315.1  27.3  ?    ?   533.612  99.8678      592.801    99.8678      266.178     99.8678      
1 1 1 6  21 11 o 0 40     6.8   ?    ?   200.204  1.0826       115.345    1.0826       6.71242     -178.917     
1 1 1 6  21 12 o 0 846.7  70.2  ?    ?   1070.83  17.8231      854.24     17.8231      199.228     17.8231      
1 1 1 6  21 13 o 0 629    52.6  ?    ?   1212.15  61.4203      560.018    61.4203      175.998     -118.58      
1 1 1 6  21 14 o 0 53.6   11.1  ?    ?   320.312  122.7        138.244    122.7        54.74       -57.2996     
1 1 1 6  21 15 o 0 8.3    5.7   ?    ?   59.5076  79.8833      9.5907     -100.117     44.4344     -100.117     
1 1 1 6  21 16 o 0 96.2   14.5  ?    ?   468.93   75.0377      201.272    75.0377      70.9355     -104.962     
1 1 1 6  21 17 o 0 443.6  38.6  ?    ?   783.275  -85.3492     594.913    -85.3492     144.358     -85.3492     
1 1 1 6  21 18 o 0 380.9  37.2  ?    ?   718.874  -98.2549     566.446    -98.2549     178.756     -98.2549     
1 1 1 6  21 19 o 0 13.6   8.2   ?    ?   156.238  164.112      11.0496    164.112      72.3655     -15.8878     
1 1 1 6  21 20 o 0 69.3   10.5  ?    ?   352.373  118.597      198.931    118.597      19.3369     118.597      
1 1 1 6  21 21 f 1 130.6  14.9  ?    ?   703.066  170.021      185.831    170.021      167.636     -9.97858     
1 1 1 6  21 22 o 0 178.3  19.5  ?    ?   421.253  -37.102      408.888    -37.102      201.922     -37.102      
1 1 1 6  21 23 o 0 14.1   3.9   ?    ?   125.431  -64.7081     34.135     -64.7081     26.7449     115.292      
1 1 1 6  21 24 o 0 -1.7   4.1   ?    ?   118.468  10.0137      50.2268    -169.986     123.936     -169.986     
1 1 1 6  21 25 o 0 17.1   4.8   ?    ?   206.57   177.878      66.5486    177.878      62.8295     -2.1222      
1 1 1 6  21 26 o 0 54.6   7     ?    ?   421.59   -76.3778     139.406    -76.3778     120.998     103.622      
1 1 1 6  21 27 o 0 27     5.2   ?    ?   258.519  -94.2041     104.141    -94.2041     53.5862     85.7959      
1 1 1 6  21 28 o 0 4.2    4.8   ?    ?   53.32    43.8659      1.11062    43.8659      30.2366     -136.134     
1 1 1 6  21 29 o 0 24     6.7   ?    ?   263.197  -66.8741     89.1175    -66.8741     58.9992     113.126      
1 1 1 6  21 30 o 0 0.4    4.9   ?    ?   150.733  -21.4184     24.4048    158.582      106.91      158.582      
1 1 1 6  21 31 o 0 68.9   7.6   ?    ?   275.985  176.128      264.623    176.128      116.105     176.128      
1 1 1 6  21 32 o 0 -3.1   5.2   ?    ?   46.2358  -70.0542     4.48657    109.946      27.5573     109.946      
1 1 1 6  21 33 o 0 1.3    5.7   ?    ?   125.645  -172.96      13.9589    -172.96      41.95       7.03959      
1 1 1 6  22 0  o 0 210    21.8  ?    ?   857.282  -1.25985e-14 374.996    0            133.395     180          
1 1 1 6  22 1  o 0 153.8  13.7  ?    ?   479.02   12.9491      324.964    12.9491      41.3774     12.9491      
1 1 1 6  22 2  o 0 26.9   5.6   ?    ?   168.548  137.672      53.7914    137.672      45.7637     -42.3279     
1 1 1 6  22 3  o 0 199.2  16.7  ?    ?   528.018  43.5276      385.847    43.5276      74.8484     43.5276      
1 1 1 6  22 4  f 1 222.4  20.4  ?    ?   614.472  8.73732      379.296    8.73732      19.5136     8.73732      
1 1 1 6  22 5  o 0 251.5  25.3  ?    ?   548.371  -78.7195     459.316    -78.7195     138.643     -78.7195     
1 1 1 6  22 6  o 0 69     7.7   ?    ?   416.635  -154.829     150.026    -154.829     107.895     25.1705      
1 1 1 6  22 7  o 0 20.4   7.1   ?    ?   251.11   102.591      2.74388    102.591      151.968     -77.4088     
1 1 1 6  22 8  o 0 573.8  48.4  ?    ?   918.358  -166.592     690.474    -166.592     121.796     -166.592     
1 1 1 6  22 9  o 0 525.8  40.4  ?    ?   966.15   142.372      606.894    142.372      11.9927     142.372      
1 1 1 6  22 10 o 0 143.7  12.5  ?    ?   465.326  21.4866      318.341    21.4866      33.5555     21.4866      
1 1 1 6  22 11 o 0 14.5   8.3   ?    ?   97.622   -116.598     0.988172   -116.598     58.3704     63.4016      
1 1 1 6  22 12 o 0 91.7   12.6  ?    ?   323.518  89.6616      256.685    89.6616      61.3311     89.6616      
1 1 1 6  22 13 f 1 297.1  31.3  ?    ?   666.149  -43.7529     478.215    -43.7529     87.9582     -43.7529     
1 1 1 6  22 14 o 0 80.1   13.6  ?    ?   347.683  -95.3744     217.991    -95.3744     15.3666     -95.3744     
1 1 1 6  22 15 o 0 9.5    10.6  ?    ?   52.8424  169.18       0.862581   -10.82       31.4053     -10.82       
1 1 1 6  22 16 o 0 16     8.8   ?    ?   176.651  -170.365     22.2147    -170.365     73.5972     9.63513      
1 1 1 6  22 17 o 0 58.5   10.2  ?    ?   475.41   112.984      101.93     112.984      153.566     -67.0158     
1 1 1 6  22 18 o 0 66.6   10.9  ?    ?   116.15   147.506      238.045    147.506      178.401     147.506      
1 1 1 6  22 19 o 0 7.4    8.2   ?    ?   38.579   -35.5823     0.227283   144.418      19.8377     144.418      
1 1 1 6  22 20 o 0 7.9    8.2   ?    ?   210.899  142.851      12.5995    -37.149      117.195     -37.149      
1 1 1 6  22 21 o 0 75.1   11.6  ?    ?   340.057  -73.5909     219.632    -73.5909     52.8567     -73.5909     
1 1 1 6  22 22 o 0 33.2   8.3   ?    ?   168.734  -95.5779     134.685    -95.5779     49.12       -95.5779     
1 1 1 6  22 23 o 0 7.1    8.2   ?    ?   119.836  154.989      4.51634    154.989      69.9795     -25.011      
1 1 1 6  22 24 o 0 8.6    6.5   ?    ?   11.3934  88.6967      3.53402    88.6967      3.59907     -91.3033     
1 1 1 6  22 25 o 0 26.3   4.8   ?    ?   268.768  57.3856      97.1874    57.3856      69.2053     -122.614     
1 1 1 6  22 26 f 1 108.5  9.9   ?    ?   514.598  167.231      253.116    167.231      60.2348     -12.7689     
1 1 1 6  22 27 o 0 65.1   6.9   ?    ?   361.456  -97.2608     213.756    -97.2608     1.01186     -97.2608     
1 1 1 6  22 28 o 0 2.4    4.4   ?    ?   34.1895  -137.692     2.18126    42.3082      21.4539     42.3082      
1 1 1 6  22 29 f 1 55.9   7.8   ?    ?   377.924  -23.9589     174.583    -23.9589     32.2051     156.041      
1 1 1 6  22 30 o 0 12.5   7.2   ?    ?   132.24   146.974      69.282     146.974      1.9355      146.974      
1 1 1 6  22 31 o 0 77.2   8.5   ?    ?   463.625  138.103      228.721    138.103      17.905      138.103      
1 1 1 6  23 0  o 0 312.3  31.2  ?    ?   986.843  -2.52591e-14 477.889    0            140.849     180          
1 1 1 6  23 1  o 0 296.8  21    ?    ?   900.914  -6.10809     353.065    -6.10809     210.996     173.892      
1 1 1 6  23 2  o 0 66.5   8.1   ?    ?   207.299  147.072      228.574    147.072      99.0455     147.072      
1 1 1 6  23 3  o 0 12.8   5.5   ?    ?   9.47645  42.4908      0.349779   -137.509     6.25584     -137.509     
1 1 1 6  23 4  o 0 210.5  18.5  ?    ?   500.466  -162.746     438.569    -162.746     127.629     -162.746     
1 1 1 6  23 5  o 0 618.7  68.4  ?    ?   731.786  36.6576      837.242    36.6576      384.229     36.6576      
1 1 1 6  23 6  o 0 53.6   8.4   ?    ?   109.703  91.692       158.147    91.692       90.5149     91.692       
1 1 1 6  23 7  o 0 82.8   8.2   ?    ?   214.278  126.876      275.174    126.876      143.679     126.876      
1 1 1 6  23 8  o 0 249.5  20.1  ?    ?   496.6    -172.596     500.918    -172.596     197.714     -172.596     
1 1 1 6  23 9  o 0 176.7  17    ?    ?   488.986  -144.483     379.973    -144.483     89.0405     -144.483     
1 1 1 6  23 10 o 0 63.7   7.1   ?    ?   240.926  -8.34152     216.325    -8.34152     73.8375     -8.34152     
1 1 1 6  23 11 o 0 29.5   4.5   ?    ?   333.752  -111.006     43.8286    -111.006     152.29      68.9937      
1 1 1 6  23 12 o 0 145.9  16.3  ?    ?   480.592  -162.275     313.61     -162.275     33.1456     -162.275     
1 1 1 6  23 13 o 0 237    26.5  ?    ?   454.75   -18.4576     505.714    -18.4576     256.344     -18.4576     
1 1 1 6  23 14 o 0 49.5   12.6  ?    ?   214.38   42.6174      177.29     42.6174      60.6459     42.6174      
1 1 1 6  23 15 o 0 35.6   9.3   ?    ?   168.212  104.914      126.45     104.914      35.6794     104.914      
1 1 1 6  23 16 o 0 82.4   11.7  ?    ?   362.262  -69.6783     234.575    -69.6783     47.618      -69.6783     
1 1 1 6  23 17 o 0 228.8  22.4  ?    ?   773.432  122.951      332.923    122.951      62.5652     -57.0491     
1 1 1 6  23 18 o 0 149    16.4  ?    ?   310.085  94.4652      408.471    94.4652      253.622     94.4652      
1 1 1 6  23 19 o 0 3.9    8.7   ?    ?   69.7851  118.19       3.39107    -61.8102     37.8855     -61.8102     
1 1 1 6  23 20 o 0 57.5   9.6   ?    ?   187.945  -145.292     221.415    -145.292     125.263     -145.292     
1 1 1 6  23 21 o 0 4.4    6.9   ?    ?   201.163  30.4318      36.5342    -149.568     162.822     -149.568     
1 1 1 6  23 22 o 0 86.2   13.9  ?    ?   337.613  -8.16104     293.412    -8.16104     79.7335     -8.16104     
1 1 1 6  23 23 o 0 22.3   9.1   ?    ?   115.478  24.2787      107.441    24.2787      35.2507     24.2787      
1 1 1 6  23 24 o 0 14.1   6.6   ?    ?   139.756  128.411      58.7094    128.411      27.7261     -51.5889     
1 1 1 6  23 25 o 0 20.1   6.2   ?    ?   166.6    -9.53852     106.19     -9.53852     6.74232     -9.53852     
1 1 1 6  23 26 f 1 62.7   7.5   ?    ?   263.301  -96.58       255.65     -96.58       101.075     -96.58       
1 1 1 6  23 27 o 0 3.7    4     ?    ?   9.86101  146.376      0.0430497  146.376      5.51859     -33.6239     
1 1 1 6  23 28 o 0 21     5     ?    ?   107.645  -121.674     132.306    -121.674     73.1915     -121.674     
1 1 1 6  23 29 o 0 -4     4.9   ?    ?   140.629  147.548      29.0669    -32.4519     100.802     -32.4519     
1 1 1 6  23 30 o 0 24.8   7.7   ?    ?   248.08   -60.2348     113.15     -60.2348     0.0985614   -60.2348     
1 1 1 6  24 0  o 0 775    72.7  ?    ?   793.227  -2.02117e-15 735.447    0            256.188     3.78106e-15  
1 1 1 6  24 1  o 0 82.5   9.1   ?    ?   308.837  75.2962      253.298    75.2962      66.9164     75.2962      
1 1 1 6  24 2  o 0 53.5   10    ?    ?   399.847  -87.7123     112.969    -87.7123     127.915     92.2877      
1 1 1 6  24 3  o 0 51.1   10    ?    ?   371.659  132.285      117.754    132.285      105.627     -47.7147     
1 1 1 6  24 4  o 0 124.8  12.6  ?    ?   595.423  -124.191     212.206    -124.191     144.634     55.8087      
1 1 1 6  24 5  o 0 77.8   9     ?    ?   389.946  89.7981      197.944    89.7981      34.9545     -90.2019     
1 1 1 6  24 6  o 0 47.5   9     ?    ?   195.123  -7.54216     168.149    -7.54216     52.069      -7.54216     
1 1 1 6  24 7  o 0 29.6   6.6   ?    ?   171.809  13.5321      90.9913    13.5321      10.7659     -166.468     
1 1 1 6  24 8  o 0 745.1  56.5  ?    ?   1073.21  33.1507      760.012    33.1507      127.513     33.1507      
1 1 1 6  24 9  o 0 12     4.7   ?    ?   119.772  -147.698     5.48693    -147.698     60.9694     32.3024      
1 1 1 6  24 10 o 0 76.9   7.9   ?    ?   383.555  150.554      208.843    150.554      2.72375     -29.4456     
1 1 1 6  24 11 o 0 50.8   6.2   ?    ?   221.884  100.06       185.726    100.06       64.113      100.06       
1 1 1 6  24 12 o 0 123.3  17.7  ?    ?   530.588  174.003      248.153    174.003      40.6736     -5.99743     
1 1 1 6  24 13 o 0 233    26.9  ?    ?   711.263  -120.847     374.47     -120.847     3.65517     -120.847     
1 1 1 6  24 14 o 0 21.7   12.1  ?    ?   205.029  -44.4615     56.5775    -44.4615     49.4838     135.538      
1 1 1 6  24 15 o 0 -1.7   8.6   ?    ?   31.1173  -122.563     6.60584    57.4374      22.5702     57.4374      
1 1 1 6  24 16 o 0 79.8   14.3  ?    ?   504.307  -62.0246     162.634    -62.0246     90.2804     117.975      
1 1 1 6  24 17 o 0 50.5   10    ?    ?   504.269  10.0357      74.0771    10.0357      176.488     -169.964     
1 1 1 6  24 18 f 1 290.4  31.4  ?    ?   613.56   93.5688      476.134    93.5688      161.096     93.5688      
1 1 1 6  24 19 o 0 3.7    6.5   ?    ?   123.393  -144.916     19.1089    35.0841      97.1335     35.0841      
1 1 1 6  24 20 o 0 30.4   7.6   ?    ?   158.498  69.3907      164.437    69.3907      63.2945     69.3907      
1 1 1 6  24 21 o 0 19.2   7.5   ?    ?   92.2467  -28.95       86.9761    -28.95       28.7741     -28.95       
1 1 1 6  24 22 o 0 203.4  25.9  ?    ?   486.606  -21.933      469.635    -21.933      165.572     -21.933      
1 1 1 6  24 23 o 0 73.7   13.1  ?    ?   339.526  -139.5       243.969    -139.5       34.4313     -139.5       
1 1 1 6  24 24 o 0 1.8    6.1   ?    ?   66.2718  -16.5571     2.37562    163.443      41.8699     163.443      
1 1 1 6  24 25 o 0 56.8   8     ?    ?   309.23   -111.636     214.576    -111.636     37.7928     -111.636     
1 1 1 6  24 26 o 0 147.3  13.5  ?    ?   471.332  9.55432      375.34     9.55432      112.677     9.55432      
1 1 1 6  24 27 o 0 42.1   5.6   ?    ?   331.323  117.386      147.376    117.386      34.5609     -62.6144     
1 1 1 6  24 28 o 0 4.8    4     ?    ?   133.554  35.5366      9.55244    35.5366      58.605      -144.463     
1 1 1 6  24 29 o 0 75     8.8   ?    ?   450.499  171.85       226.321    171.85       20.8169     171.85       
1 1 1 6  25 0  o 0 146.7  29.6  ?    ?   438.341  180          309.472    180          63.1371     -180         
1 1 1 6  25 1  f 1 117.5  13.6  ?    ?   230.067  -161.817     383.522    -161.817     254.679     -161.817     
1 1 1 6  25 2  o 0 15.5   6.2   ?    ?   129.334  -27.5594     24.0764    -27.5594     48.4307     152.441      
1 1 1 6  25 3  o 0 7.7    7.1   ?    ?   163.941  154.798      22.0642    -25.2024     113.78      -25.2024     
1 1 1 6  25 4  o 0 214.3  16.9  ?    ?   589.754  61.9197      411.868    61.9197      82.8137     61.9197      
1 1 1 6  25 5  o 0 -1.2   5.6   ?    ?   167.058  7.37612      62.2854    -172.624     155.196     -172.624     
1 1 1 6  25 6  o 0 63.9   10.2  ?    ?   333.025  -45.182      190.929    -45.182      6.41015     -45.182      
1 1 1 6  25 7  o 0 52.8   11.1  ?    ?   251.165  23.3863      182.716    23.3863      44.1487     23.3863      
1 1 1 6  25 8  o 0 279.8  27.3  ?    ?   887.048  10.9087      348.324    10.9087      138.715     -169.091     
1 1 1 6  25 9  o 0 146.3  14.1  ?    ?   558.791  -52.5913     301.084    -52.5913     6.64984     -52.5913     
1 1 1 6  25 10 o 0 75.7   9.6   ?    ?   215.958  -167.766     274.524    -167.766     161.391     -167.766     
1 1 1 6  25 11 o 0 1      4     ?    ?   250.798  71.8452      89.8201    -108.155     220.38      -108.155     
1 1 1 6  25 12 o 0 19.4   8     ?    ?   238.692  -165.334     37.2932    -165.334     86.1242     14.6665      
1 1 1 6  25 13 o 0 105.8  14.7  ?    ?   486.051  82.2436      240.823    82.2436      5.21069     -97.7564     
1 1 1 6  25 14 o 0 32.5   7     ?    ?   213.193  -107.128     124.098    -107.128     17.0174     -107.128     
1 1 1 6  25 15 o 0 13     6.5   ?    ?   135.81   -124.387     23.0785    -124.387     44.5739     55.6127      
1 1 1 6  25 16 o 0 91.6   11.5  ?    ?   277.785  -173.255     288.221    -173.255     144.719     -173.255     
1 1 1 6  25 17 o 0 91.9   11.4  ?    ?   460.689  -4.42152     252.599    -4.42152     40.0221     175.578      
1 1 1 6  25 18 o 0 118.5  13.9  ?    ?   394.743  58.4522      361.129    58.4522      107.841     58.4522      
1 1 1 6  25 19 o 0 37.2   7.9   ?    ?   180.759  -72.7458     191.803    -72.7458     77.0077     -72.7458     
1 1 1 6  25 20 o 0 22.7   7.5   ?    ?   62.0062  21.9378      97.2507    21.9378      58.2111     21.9378      
1 1 1 6  25 21 o 0 5.7    7.9   ?    ?   186.42   -96.414      7.20762    83.586       123.251     83.586       
1 1 1 6  25 22 o 0 197.1  25.2  ?    ?   477.618  119.106      460.122    119.106      172.723     119.106      
1 1 1 6  25 23 o 0 28.5   9.1   ?    ?   103.189  -118.434     157.698    -118.434     98.0684     -118.434     
1 1 1 6  25 24 o 0 -0.9   6.2   ?    ?   41.8472  78.3015      3.47904    -101.698     27.3476     -101.698     
1 1 1 6  25 25 o 0 38.4   7.9   ?    ?   234.169  -67.2274     176.78     -67.2274     46.5149     -67.2274     
1 1 1 6  25 26 o 0 16.9   6.4   ?    ?   217.47   175.909      73.0637    175.909      39.4944     -4.09067     
1 1 1 6  25 27 o 0 38     7.4   ?    ?   301.268  177.724      164.409    177.724      24.8695     177.724      
1 1 1 6  26 0  o 0 24.4   9     ?    ?   272.011  -180         105.383    180          39.4097     6.34924e-14  
1 1 1 6  26 1  f 1 81.7   9.9   ?    ?   323.9    5.86241      257.948    5.86241      86.091      5.86241      
1 1 1 6  26 2  o 0 59.7   10.3  ?    ?   268.602  94.567       210.061    94.567       67.3598     94.567       
1 1 1 6  26 3  o 0 56.3   9.8   ?    ?   472.892  -3.82151     109.069    -3.82151     141.694     176.178      
1 1 1 6  26 4  o 0 161.5  14    ?    ?   463.331  83.7043      380.526    83.7043      135.439     83.7043      
1 1 1 6  26 5  o 0 10.3   5.9   ?    ?   128.14   95.9591      1.87359    95.9591      65.703      -84.0409     
1 1 1 6  26 6  o 0 66.2   8.6   ?    ?   373.524  -58.5658     187.243    -58.5658     9.03483     121.434      
1 1 1 6  26 7  o 0 24.6   9.3   ?    ?   122.662  -7.56971     74.6611    -7.56971     10.4709     -7.56971     
1 1 1 6  26 8  o 0 391.7  32.3  ?    ?   941.945  -68.0944     481.108    -68.0944     9.52899     111.906      
1 1 1 6  26 9  o 0 181.4  15.3  ?    ?   353.239  161.961      465.091    161.961      284.587     161.961      
1 1 1 6  26 10 o 0 39.1   6.3   ?    ?   422.93   -170.911     73.3607    -170.911     141.527     9.08897      
1 1 1 6  26 11 o 0 15.8   4.5   ?    ?   173.831  2.97848      44.1365    2.97848      43.6389     -177.022     
1 1 1 6  26 12 o 0 26.8   4.5   ?    ?   303.681  -137.143     69.5645    -137.143     82.7513     42.8565      
1 1 1 6  26 13 o 0 39.3   9.2   ?    ?   95.3486  119.23       154.6      119.23       104.928     119.23       
1 1 1 6  26 14 f 1 56.2   8.8   ?    ?   313.243  -23.5284     215.331    -23.5284     14.8955     -23.5284     
1 1 1 6  26 15 f 1 9      6.4   ?    ?   53.5221  -85.9664     16.6177    -85.9664     18.032      94.0336      
1 1 1 6  26 16 o 0 13.6   6.7   ?    ?   85.8191  -158.774     50.247     -158.774     4.96893     21.2264      
1 1 1 6  26 17 o 0 20.1   6.6   ?    ?   168.261  -31.3759     95.0689    -31.3759     12.19       148.624      
1 1 1 6  26 18 o 0 13.1   6.4   ?    ?   160.623  -83.6112     47.8322    -83.6112     53.7819     96.3888      
1 1 1 6  26 19 o 0 7.2    6.7   ?    ?   99.889   41.5428      15.3925    41.5428      47.1502     -138.457     
1 1 1 6  26 20 o 0 3.9    7.6   ?    ?   146.851  -105.38      1.39697    -105.38      87.5789     74.6196      
1 1 1 6  26 21 o 0 111.9  16.5  ?    ?   369.084  45.3894      342.429    45.3894      127.445     45.3894      
1 1 1 6  26 23 o 0 18.6   6.7   ?    ?   170.911  6.51462      96.2962    6.51462      0.253545    6.51462      
1 1 1 6  26 24 o 0 18.1   6.6   ?    ?   186.416  174.878      94.4671    174.878      3.10802     -5.1219      
1 1 1 6  26 25 o 0 14.2   6.6   ?    ?   332.268  -54.0233     0.0662298  125.977      171.621     125.977      
1 1 1 6  26 26 o 0 26.6   7.1   ?    ?   224.322  10.8984      140.348    10.8984      36.6463     10.8984      
1 1 1 6  27 0  o 0 10.9   9.1   ?    ?   297.693  180          53.1695    180          100.125     -1.43489e-14 
1 1 1 6  27 1  o 0 32.9   8.6   ?    ?   292.247  30.5529      101.729    30.5529      48.6962     -149.447     
1 1 1 6  27 2  o 0 0.2    7.7   ?    ?   57.6368  41.5679      10.0704    -138.432     39.7057     -138.432     
1 1 1 6  27 3  o 0 21.5   6.5   ?    ?   144.964  -166.497     78.8332    -166.497     4.42143     -166.497     
1 1 1 6  27 4  o 0 15.8   7.8   ?    ?   224.439  -92.5137     27.7524    -92.5137     87.1934     87.4863      
1 1 1 6  27 5  o 0 222.6  23.2  ?    ?   531.538  -106.384     449.106    -106.384     177.656     -106.384     
1 1 1 6  27 6  o 0 13.7   5.9   ?    ?   68.973   173.341      21.3488    173.341      13.7547     -6.659       
1 1 1 6  27 7  o 0 34.2   9.1   ?    ?   358.108  -109.332     77.995     -109.332     103.539     70.6677      
1 1 1 6  27 8  o 0 -5.7   8.5   ?    ?   62.4776  45.4101      13.6622    -134.59      46.6464     -134.59      
1 1 1 6  27 9  o 0 214.8  18.7  ?    ?   461.61   145.944      455.756    145.944      213.286     145.944      
1 1 1 6  27 10 o 0 40.7   6.4   ?    ?   165.372  114.416      214.071    114.416      106.872     114.416      
1 1 1 6  27 11 o 0 19     5     ?    ?   136.384  50.0772      88.7919    50.0772      0.922852    50.0772      
1 1 1 6  27 12 o 0 65.6   8     ?    ?   295.821  56.4451      263.483    56.4451      70.3443     56.4451      
1 1 1 6  27 13 o 0 14.7   8     ?    ?   141.095  -136.312     60.16      -136.312     31.3016     43.6885      
1 1 1 6  27 14 o 0 16.6   7.5   ?    ?   236.007  -108.14      41.2254    -108.14      110.588     71.8598      
1 1 1 6  27 15 f 1 0.7    6.9   ?    ?   148.771  -91.3864     24.9185    88.6136      119.798     88.6136      
1 1 1 6  27 16 f 1 30.8   8     ?    ?   323.769  -125.396     89.1959    -125.396     115.492     54.6042      
1 1 1 6  27 17 f 1 100.7  14.8  ?    ?   487.033  -139.495     250.753    -139.495     47.6781     40.5048      
1 1 1 6  27 18 o 0 71.6   12.2  ?    ?   313.049  6.03186      260.457    6.03186      70.0182     6.03186      
1 1 1 6  27 19 o 0 0.9    7.6   ?    ?   69.8873  67.6087      4.0923     67.6087      36.8238     -112.391     
1 1 1 6  27 20 o 0 5.9    7.7   ?    ?   176.044  -24.9352     6.68581    -24.9352     95.2639     155.065      
1 1 1 6  27 21 o 0 30     9     ?    ?   219.722  15.3194      141.627    15.3194      17.2546     15.3194      
1 1 1 6  27 22 o 0 75.3   11.1  ?    ?   368.708  156.486      253.47     156.486      58.8579     156.486      
1 1 1 6  27 23 o 0 9.6    7     ?    ?   130.785  94.3237      50.4884    94.3237      17.6806     -85.6763     
1 1 1 6  27 24 o 0 12.9   6.7   ?    ?   154.271  83.445       78.2128    83.445       6.13483     83.445       
1 1 1 6  28 0  o 0 28.4   10.2  ?    ?   293.956  -180         146.383    180          46.251      1.04502e-13  
1 1 1 6  28 1  o 0 22.2   8.5   ?    ?   69.9107  -125.297     77.974     -125.297     32.1704     -125.297     
1 1 1 6  28 2  o 0 6.4    6.2   ?    ?   67.6366  -168.435     0.625803   11.5646      44.9015     11.5646      
1 1 1 6  28 3  o 0 23     6.6   ?    ?   249.742  -58.8395     84.4418    -58.8395     78.8007     121.16       
1 1 1 6  28 4  o 0 26.6   6.6   ?    ?   310.65   -146.767     76.4536    -146.767     126.179     33.2333      
1 1 1 6  28 5  o 0 59.8   8.5   ?    ?   281.603  118.319      249.72     118.319      66.5256     118.319      
1 1 1 6  28 6  o 0 31.8   6.7   ?    ?   187.981  117.584      160.807    117.584      38.9153     117.584      
1 1 1 6  28 7  f 1 4.1    6.3   ?    ?   96.065   122.966      4.85689    -57.0344     67.996      -57.0344     
1 1 1 6  28 8  o 0 59.7   19.8  ?    ?   360.762  92.5402      168.205    92.5402      68.4773     -87.4598     
1 1 1 6  28 9  o 0 334.3  34.4  ?    ?   708.823  -43.4643     587.592    -43.4643     124.853     -43.4643     
1 1 1 6  28 10 o 0 6.3    5.7   ?    ?   92.9771  76.5593      3.84539    76.5593      56.5204     -103.441     
1 1 1 6  28 11 o 0 1.4    4.7   ?    ?   43.0803  85.6937      8.83235    -94.3063     36.6954     -94.3063     
1 1 1 6  28 12 o 0 124.3  11.3  ?    ?   436.378  78.8902      355.392    78.8902      75.0046     78.8902      
1 1 1 6  28 13 o 0 23.7   4.5   ?    ?   202.723  159.334      117.269    159.334      12.0652     -20.6659     
1 1 1 6  28 14 o 0 13.2   7.1   ?    ?   201.572  -135.714     39.0649    -135.714     85.7821     44.286       
1 1 1 6  28 15 o 0 -7.4   6.9   ?    ?   106.17   60.8336      28.8509    -119.166     94.0736     -119.166     
1 1 1 6  28 16 o 0 30.7   7.9   ?    ?   71.3413  -62.9067     169.235    -62.9067     126.988     -62.9067     
1 1 1 6  28 17 o 0 19.4   7.2   ?    ?   68.3971  -75.5024     95.9098    -75.5024     55.7794     -75.5024     
1 1 1 6  28 18 o 0 139.1  18.1  ?    ?   450.428  150.664      366.226    150.664      107.488     150.664      
1 1 1 6  28 19 o 0 13.4   8.1   ?    ?   110.966  -113.198     71.8456    -113.198     8.76027     -113.198     
1 1 1 6  28 20 o 0 59.9   14.3  ?    ?   266.574  164.534      238.703    164.534      97.2305     164.534      
1 1 1 6  28 21 o 0 6.3    7.8   ?    ?   95.7975  166.851      38.0283    166.851      12.2326     -13.149      
1 1 1 6  28 22 o 0 112.5  13.9  ?    ?   504.943  -6.77201     299.481    -6.77201     61.7463     -6.77201     
1 1 1 6  29 1  o 0 10.5   6.3   ?    ?   63.6285  -160.612     26.0432    -160.612     15.6158     19.3876      
1 1 1 6  29 2  o 0 4.9    6.1   ?    ?   47.1624  -103.46      1.14846    -103.46      29.7094     76.5405      
1 1 1 6  29 3  o 0 -0.5   6     ?    ?   116.891  25.2254      30.0188    -154.775     106.401     -154.775     
1 1 1 6  29 4  o 0 19.6   6.1   ?    ?   175.363  -126.161     96.6989    -126.161     17.674      53.8395      
1 1 1 6  29 5  o 0 182.8  17.3  ?    ?   498.324  117.043      457.4      117.043      132.491     117.043      
1 1 1 6  29 6  o 0 -1.6   5.9   ?    ?   129.78   116.662      35.5909    -63.3376     119.946     -63.3376     
1 1 1 6  29 7  o 0 24.4   6.4   ?    ?   173.032  112.436      132.252    112.436      20.1969     112.436      
1 1 1 6  29 8  o 0 34.3   10.2  ?    ?   154.255  -79.8921     186.004    -79.8921     86.5333     -79.8921     
1 1 1 6  29 10 o 0 35     8.4   ?    ?   277.491  -80.4477     141.215    -80.4477     32.0579     99.5523      
1 1 1 6  29 11 o 0 5.7    4.4   ?    ?   94.2099  -90.678      5.91253    -90.678      52.5666     89.322       
1 1 1 6  29 12 o 0 45.2   6.7   ?    ?   205.515  -74.3771     227.095    -74.3772     100.351     -74.3772     
1 1 1 6  29 13 o 0 34.7   4.7   ?    ?   319.312  125.902      127.664    125.902      62.4834     -54.0977     
1 1 1 6  29 14 o 0 16.6   7.8   ?    ?   86.4088  112.931      84.901     112.931      33.8342     112.931      
1 1 1 6  29 15 o 0 4      7.2   ?    ?   110.275  99.1743      10.2319    99.1743      54.4117     -80.8257     
1 1 1 6  29 16 o 0 8.4    9.2   ?    ?   143.194  1.86159      40.9029    1.86159      41.3703     -178.138     
1 1 1 6  29 17 o 0 111.1  15.6  ?    ?   384.138  73.1069      329.445    73.1069      110.764     73.1069      
1 1 1 6  29 18 o 0 17.8   7.5   ?    ?   127.058  -155.224     107.134    -155.224     39.5373     -155.224     
1 1 1 6  29 19 o 0 8.1    8.9   ?    ?   115.358  -64.2567     64.4647    -64.2567     9.29819     -64.2567     
1 1 1 6  29 20 o 0 15.3   10    ?    ?   171.862  -136.831     81.6813    -136.831     0.384829    -136.831     
1 1 1 6  30 1  o 0 48     10.9  ?    ?   423.448  2.26583      113.823    2.26583      152.225     -177.734     
1 1 1 6  30 2  o 0 0.3    6.1   ?    ?   72.8323  2.29889      8.06986    -177.701     53.8082     -177.701     
1 1 1 6  30 3  o 0 11.5   6.3   ?    ?   74.0858  -134.728     46.0333    -134.728     0.440782    45.2717      
1 1 1 6  30 4  o 0 146.6  14.7  ?    ?   439.507  21.797       409.974    21.797       134.748     21.797       
1 1 1 6  30 5  o 0 44.3   7.6   ?    ?   296.69   151.133      178.056    151.133      7.30182     -28.8667     
1 1 1 6  30 6  o 0 4.5    5.7   ?    ?   72.8893  21.4323      5.19157    21.4323      40.2123     -158.568     
1 1 1 6  30 7  o 0 15.3   5.9   ?    ?   134.358  129.317      79.1273    129.317      4.27109     -50.6832     
1 1 1 6  30 8  o 0 23.2   6.5   ?    ?   250.976  -100.144     97.0989    -100.144     53.763      79.8562      
1 1 1 6  30 9  o 0 58.5   17    ?    ?   377.065  -149.155     157.609    -149.155     67.9828     30.8453      
1 1 1 6  30 10 o 0 32.3   12    ?    ?   164.181  19.4612      161.758    19.4612      64.0485     19.4612      
1 1 1 6  30 11 o 0 7.1    5     ?    ?   53.5384  -86.5912     16.5966    -86.5912     15.0805     93.4088      
1 1 1 6  30 12 o 0 11.6   5.1   ?    ?   151.28   1.62472      56.9299    1.62472      31.0002     -178.375     
1 1 1 6  30 13 o 0 68     10    ?    ?   343.49   161.206      240.658    161.206      42.393      161.206      
1 1 1 6  30 14 o 0 -3.6   8     ?    ?   177.506  -127.672     15.0145    52.3285      110.983     52.3285      
1 1 1 6  30 15 o 0 15.3   7.6   ?    ?   89.8347  123.295      91.9934    123.295      43.8154     123.295      
1 1 1 6  30 16 o 0 17.6   7.6   ?    ?   139.541  -22.5909     101.56     -22.5909     27.369      -22.5909     
1 1 1 6  30 17 o 0 55.5   10.1  ?    ?   305.799  -53.7525     229.637    -53.7525     83.3224     -53.7525     
1 1 1 6  31 0  o 0 2.3    9.3   ?    ?   14.4963  8.58258e-13  3.51541    0            5.14324     -180         
1 1 1 6  31 1  o 0 12.2   8.9   ?    ?   50.587   175.503      42.6982    175.503      12.4716     175.503      
1 1 1 6  31 2  o 0 -12.2  6.1   ?    ?   17.6077  -132.21      6.05721    47.7904      16.5751     47.7904      
1 1 1 6  31 3  o 0 6.9    6.3   ?    ?   65.7591  24.6156      20.7782    24.6156      18.466      -155.384     
1 1 1 6  31 4  o 0 87.1   11    ?    ?   222.344  49.7656      367.049    49.7656      234.564     49.7656      
1 1 1 6  31 5  o 0 70.1   10.1  ?    ?   358.994  -78.987      244.671    -78.987      33.6446     -78.987      
1 1 1 6  31 6  f 1 28.3   6.8   ?    ?   61.2679  -164.237     161.751    -164.237     125.928     -164.237     
1 1 1 6  31 7  f 1 5.5    5.8   ?    ?   38.8715  -44.8708     13.1472    -44.8708     9.50317     135.129      
1 1 1 6  31 8  o 0 100.1  15.1  ?    ?   414.481  140.013      292.865    140.013      51.6902     140.013      
1 1 1 6  31 9  o 0 -3.7   17.9  ?    ?   170.923  -42.1879     27.1242    -42.1879     71.877      137.812      
1 1 1 6  31 10 o 0 -8.7   11.4  ?    ?   82.2861  57.9774      15.284     57.9774      29.464      -122.023     
1 1 1 6  31 11 o 0 -1.4   5.1   ?    ?   103.61   -113.932     10.4866    66.068       66.5085     66.068       
1 1 1 6  31 12 o 0 10.4   5.4   ?    ?   93.6707  45.3435      61.4221    45.3435      11.0934     45.3435      
1 1 1 6  31 13 o 0 24.7   4.6   ?    ?   129.972  141.06       180.025    141.06       117.036     141.06       
1 1 1 6  31 14 f 1 3.2    2.8   ?    ?   103.291  -150.011     11.0876    -150.011     38.4715     29.9893      
1 1 1 6  32 0  o 0 29.9   10.2  ?    ?   156.355  1.06423e-14  136.184    0            51.0446     -1.77507e-14 
1 1 1 6  32 1  o 0 8.5    6.3   ?    ?   137.596  -140.019     44.5301    -140.019     30.4349     39.981       
1 1 1 6  32 2  o 0 -4.4   9.4   ?    ?   17.8468  6.38112      4.57311    6.38112      5.14906     -173.619     
1 1 1 6  32 3  o 0 7.4    6.3   ?    ?   59.7911  35.5583      35.5973    35.5583      3.05047     35.5583      
1 1 1 6  32 5  o 0 9.6    6.5   ?    ?   138.531  31.7665      50.4413    31.7665      24.709      -148.233     
1 1 1 6  32 6  o 0 5.9    6.2   ?    ?   161.645  107.93       18.7868    107.93       68.6707     -72.0697     
1 1 1 6  32 7  o 0 2.7    7.1   ?    ?   38.4891  -112.903     23.8133    -112.903     4.96131     -112.903     
1 1 1 6  32 8  o 0 13.9   7.3   ?    ?   257.732  50.0632      46.8839    50.0632      78.8666     -129.937     
1 1 1 6  32 9  o 0 33.6   7     ?    ?   210.872  -4.61667     190.627    -4.61667     88.1978     -4.61667     
1 1 1 6  32 10 o 0 19.5   11.7  ?    ?   213.488  -142.74      85.874     -142.74      17.3034     37.2604      
1 1 1 6  33 0  o 0 21.5   10    ?    ?   262.757  180          102.682    180          24.184      -7.3632e-14  
1 1 1 7  0  1  o 0 191.6  24.9  ?    ?   538.424  90           468.532    90           51.6423     90           
1 1 1 7  0  3  o 0 27.7   3.9   ?    ?   22.4012  90           13.2069    90           3.61862     -90          
1 1 1 7  0  4  f 1 94.2   10.1  ?    ?   481.236  -5.92908e-15 292.402    0            38.6145     180          
1 1 1 7  0  5  o 0 246.5  26.2  ?    ?   924.947  90           469.489    90           161.489     -90          
1 1 1 7  0  6  o 0 260.2  27.9  ?    ?   547.678  -2.00943e-14 477.899    0            107.639     6.91206e-14  
1 1 1 7  0  7  o 0 53.9   6.3   ?    ?   219.281  -90          168.685    -90          21.5406     -90          
1 1 1 7  0  8  o 0 92     8.7   ?    ?   189.242  180          232.781    180          106.584     -180         
1 1 1 7  0  9  o 0 208.2  19.3  ?    ?   586.229  90           445.728    90           33.2516     90           
1 1 1 7  0  10 o 0 10     2.1   ?    ?   19.3664  -3.88393e-13 3.76757    0            9.79262     180          
1 1 1 7  0  11 o 0 308.3  28.6  ?    ?   768.464  -90          536.497    -90          0.909171    -90          
1 1 1 7  0  12 o 0 72.5   7.4   ?    ?   660.169  -9.61636e-15 258.983    0            199.002     180          
1 1 1 7  0  13 o 0 6.5    2.5   ?    ?   397.248  -90          43.4521    -90          245.041     90           
1 1 1 7  0  14 o 0 103.9  11.6  ?    ?   212.07   -2.55713e-14 298.323    0            145.103     2.70018e-14  
1 1 1 7  0  15 o 0 525.8  56.2  ?    ?   909.353  -90          733.729    -90          80.3922     -90          
1 1 1 7  0  16 o 0 58.4   8     ?    ?   700.857  -5.42167e-15 243.949    0            256.512     180          
1 1 1 7  0  17 o 0 0.7    4.5   ?    ?   34.4757  -90          1.26736    -90          23.1855     90           
1 1 1 7  0  18 o 0 209.2  22.9  ?    ?   543.194  3.97551e-15  431.305    0            68.2686     -2.11408e-14 
1 1 1 7  0  19 o 0 70     8.9   ?    ?   509.536  90           246.312    90           91.4974     -90          
1 1 1 7  0  21 o 0 97.5   12    ?    ?   221.071  90           262        90           118.085     90           
1 1 1 7  0  22 f 1 8.6    5.3   ?    ?   67.2692  180          8.14879    180          35.5455     -2.59508e-14 
1 1 1 7  0  23 o 0 1114.8 118.1 ?    ?   1153.59  90           875.259    90           186.2       90           
1 1 1 7  0  24 o 0 1212.9 157.5 ?    ?   1762.63  -5.77772e-15 894.372    0            149.395     180          
1 1 1 7  0  25 o 0 146    18.1  ?    ?   724.868  -90          310.916    -90          113.007     90           
1 1 1 7  0  26 o 0 87.7   12.9  ?    ?   285.478  180          227.682    180          63.2748     -180         
1 1 1 7  0  27 o 0 68.8   12.2  ?    ?   301.38   -90          195.53     -90          24.374      -90          
1 1 1 7  0  28 o 0 150.2  20.3  ?    ?   150.055  180          271.05     180          186.11      -180         
1 1 1 7  0  29 o 0 -0.2   8.3   ?    ?   166.052  -90          9.223      -90          89.178      90           
1 1 1 7  0  30 o 0 174.4  25.6  ?    ?   350.967  1.31712e-16  333.422    0            126.676     -2.14965e-16 
1 1 1 7  0  31 f 1 376.3  54.2  ?    ?   832.738  -90          477.658    -90          6.2897      -90          
1 1 1 7  0  32 o 0 83     14.9  ?    ?   206.292  8.29153e-15  214.069    0            105.196     -8.58131e-15 
1 1 1 7  0  33 o 0 81.1   12.7  ?    ?   70.1089  90           129.286    90           92.9624     90           
1 1 1 7  0  34 o 0 174.8  20    ?    ?   509.446  -9.07908e-16 311.21     0            61.4014     3.69378e-15  
1 1 1 7  0  35 f 1 -2.7   9.7   ?    ?   201.178  90           15.6937    90           79.4216     -90          
1 1 1 7  0  36 o 0 -18.8  11.4  ?    ?   8.6197   -180         0.621809   180          4.57444     1.04975e-13  
1 1 1 7  0  37 o 0 39.7   12.7  ?    ?   139.104  -90          148.56     -90          64.826      -90          
1 1 1 7  0  38 o 0 5.8    12.4  ?    ?   19.9259  0            5.95575    0            5.80213     180          
1 1 1 7  0  39 o 0 7.7    9.2   ?    ?   45.223   90           14.3162    90           11.1995     -90          
1 1 1 7  0  40 o 0 50.9   10.7  ?    ?   341.102  -5.2502e-15  178.058    0            4.72996     180          
1 1 1 7  0  41 o 0 7.1    12.1  ?    ?   58.024   90           20.6087    90           9.39575     -90          
1 1 1 7  0  42 o 0 40.3   11.2  ?    ?   200.835  180          143.608    180          56.7891     180          
1 1 1 7  1  0  o 0 0.8    0.9   ?    ?   80.9669  90           1.03242    90           61.711      -90          
1 1 1 7  1  1  o 0 406.9  37.1  ?    ?   827.409  112.718      687.536    112.718      56.9684     112.718      
1 1 1 7  1  2  o 0 1176.3 107.5 ?    ?   1272.21  -165.915     1261.55    -165.915     307.321     -165.915     
1 1 1 7  1  3  o 0 221.2  18.2  ?    ?   794.955  -80.0937     348.453    -80.0937     239.293     99.9063      
1 1 1 7  1  5  o 0 67.8   5.2   ?    ?   209.945  111.041      218.204    111.041      77.0937     111.041      
1 1 1 7  1  7  o 0 1506.8 104   ?    ?   1548.87  -87.8663     1202.46    -87.8663     177.047     -87.8663     
1 1 1 7  1  8  f 1 343.8  23.9  ?    ?   1086.89  159.126      339.854    159.126      373.907     -20.8745     
1 1 1 7  1  10 o 0 113.9  7.6   ?    ?   495.503  109.882      259.111    109.882      83.9259     -70.118      
1 1 1 7  1  11 o 0 893.5  62    ?    ?   1050.3   63.2794      1054.02    63.2794      329.768     63.2794      
1 1 1 7  1  12 o 0 170.9  12.1  ?    ?   417.014  -90.9464     446.254    -90.9464     159.834     -90.9464     
1 1 1 7  1  13 o 0 48.5   3.7   ?    ?   375.047  -37.5613     113.237    -37.5613     156.59      142.439      
1 1 1 7  1  14 o 0 93.5   6.6   ?    ?   471.316  -10.204      235.156    -10.204      102.387     169.796      
1 1 1 7  1  15 o 0 1468.4 120.1 ?    ?   1633.28  -175.039     1212.44    -175.039     48.6231     -175.039     
1 1 1 7  1  16 o 0 250.3  21    ?    ?   721.269  -145.041     464.025    -145.041     47.0452     34.9594      
1 1 1 7  1  17 o 0 17.2   4     ?    ?   181.131  173.853      6.37968    -6.14717     133.924     -6.14717     
1 1 1 7  1  18 o 0 30.2   4.3   ?    ?   407.28   136.838      0.83314    -43.1618     271.19      -43.1618     
1 1 1 7  1  19 o 0 27.3   3.8   ?    ?   240.121  -93.1402     45.6878    -93.1402     112.496     86.8598      
1 1 1 7  1  20 o 0 514    38.8  ?    ?   1212.57  -45.9269     515.782    -45.9269     276.363     134.073      
1 1 1 7  1  21 o 0 36.4   4.9   ?    ?   298.902  38.0726      74.0264    38.0726      121.527     -141.927     
1 1 1 7  1  22 f 1 378.4  31.7  ?    ?   930.451  -13.6708     493.481    -13.6708     107.728     166.329      
1 1 1 7  1  23 f 1 22.8   5.1   ?    ?   292.163  -100.513     0.669739   -100.513     172.543     79.4868      
1 1 1 7  1  24 o 0 514.7  36.2  ?    ?   957.749  87.1982      597.556    87.1982      33.0112     87.1982      
1 1 1 7  1  25 o 0 149.5  11.2  ?    ?   526.967  -71.0488     288.056    -71.0488     18.8069     108.951      
1 1 1 7  1  26 o 0 13     5.1   ?    ?   109.021  71.8401      13.7046    -108.16      76.2378     -108.16      
1 1 1 7  1  27 o 0 238.4  24.7  ?    ?   884.168  4.27149      252.627    4.27148      247.617     -175.729     
1 1 1 7  1  28 o 0 141.7  13.7  ?    ?   249.701  19.2889      381.33     19.2889      240.479     19.2889      
1 1 1 7  1  29 o 0 139    13    ?    ?   521.929  -144.98      269.83     -144.98      38.4525     35.0204      
1 1 1 7  1  30 o 0 54.4   8.3   ?    ?   82.2821  174.231      129.32     174.231      80.9968     174.231      
1 1 1 7  1  31 o 0 57.7   8.4   ?    ?   262.669  -106.975     179.724    -106.975     31.0782     -106.975     
1 1 1 7  1  32 o 0 47.8   9.1   ?    ?   264.191  -166.361     153.987    -166.361     14.9217     -166.361     
1 1 1 7  1  33 o 0 233.1  19.1  ?    ?   333.08   -118.438     527.961    -118.438     355.806     -118.438     
1 1 1 7  1  34 o 0 25.3   7     ?    ?   172.466  92.7736      83.4193    92.7736      0.961687    -87.2264     
1 1 1 7  1  35 f 1 38.5   7.2   ?    ?   288.232  19.6758      118.592    19.6758      17.4034     -160.324     
1 1 1 7  1  36 o 0 152.8  14.1  ?    ?   437.199  60.8334      408.76     60.8334      145.695     60.8334      
1 1 1 7  1  37 f 1 116.5  13.2  ?    ?   328.783  -70.0273     370.652    -70.0273     173.587     -70.0273     
1 1 1 7  1  38 o 0 135.3  14.8  ?    ?   456.463  -158.637     335.904    -158.637     66.9709     -158.637     
1 1 1 7  1  39 o 0 -2.2   7.4   ?    ?   56.3113  179.816      4.53375    -0.184136    36.2614     -0.184136    
1 1 1 7  1  40 f 1 19.1   7.3   ?    ?   166.658  -91.6362     88.3456    -91.6362     0.621723    88.3638      
1 1 1 7  1  41 o 0 118.4  12.4  ?    ?   416.493  -77.7484     310.078    -77.7484     94.9454     -77.7484     
1 1 1 7  1  42 o 0 87.4   11.8  ?    ?   338.979  165.723      286.909    165.723      140.513     165.723      
1 1 1 7  2  0  f 1 16.5   2.4   ?    ?   278.765  -90          84.7271    -90          127.541     90           
1 1 1 7  2  1  o 0 275.2  25.2  ?    ?   827.041  -16.8982     443.269    -16.8982     177.786     163.102      
1 1 1 7  2  2  o 0 680.5  55.7  ?    ?   591.213  24.8489      1210.2     24.8489      773.08      24.8489      
1 1 1 7  2  3  o 0 527.4  39.3  ?    ?   1070.11  152.992      620.811    152.992      104.819     -27.0085     
1 1 1 7  2  4  o 0 88.1   6.2   ?    ?   388.585  -175.245     231.983    -175.245     28.4091     4.75488      
1 1 1 7  2  5  o 0 115.2  8.1   ?    ?   398.303  -167.464     304.268    -167.464     39.954      -167.464     
1 1 1 7  2  6  f 1 381.5  26.5  ?    ?   937.049  135.196      492.198    135.196      123.196     -44.8037     
1 1 1 7  2  7  o 0 212.1  16    ?    ?   456.032  120.601      490.96     120.601      192.559     120.601      
1 1 1 7  2  8  o 0 230.2  16.1  ?    ?   840.91   -3.5966      296.001    -3.5966      251.497     176.403      
1 1 1 7  2  10 o 0 771.6  50    ?    ?   1394.07  -58.5903     696.185    -58.5903     259.16      121.41       
1 1 1 7  2  11 o 0 428.2  28    ?    ?   756.943  -146.843     693.777    -146.843     176.847     -146.843     
1 1 1 7  2  12 o 0 614.6  39.9  ?    ?   1123.28  117.858      693.273    117.858      71.1419     -62.1416     
1 1 1 7  2  14 o 0 36.4   3.4   ?    ?   204.193  128.826      103.744    128.826      41.2742     -51.1739     
1 1 1 7  2  15 o 0 103.7  8.6   ?    ?   562.361  1.79326      208.826    1.79326      188.714     -178.207     
1 1 1 7  2  16 o 0 428.9  35.5  ?    ?   899.955  71.5749      646.465    71.5749      13.5917     71.5749      
1 1 1 7  2  17 o 0 26.3   3.9   ?    ?   378.124  179.14       10.8505    -0.859743    275.201     -0.859743    
1 1 1 7  2  18 o 0 255.5  19.6  ?    ?   673.449  54.8771      468.931    54.8771      24.9323     54.8771      
1 1 1 7  2  19 o 0 606.4  42.3  ?    ?   1098.44  -159.686     702.764    -159.686     16.1666     20.3136      
1 1 1 7  2  20 o 0 92.3   8.3   ?    ?   460.624  150.116      214.449    150.116      84.6172     -29.8836     
1 1 1 7  2  21 o 0 12.2   4.1   ?    ?   189.509  66.7826      40.7955    -113.217     164.056     -113.217     
1 1 1 7  2  22 o 0 67.9   6.4   ?    ?   521.199  -47.0247     94.9553    -47.0247     240.813     132.975      
1 1 1 7  2  23 o 0 107.4  9.7   ?    ?   597.767  -38.3645     158.637    -38.3645     194.801     141.636      
1 1 1 7  2  24 o 0 1239.4 92.9  ?    ?   1496.95  -142.877     921.975    -142.877     44.0044     -142.877     
1 1 1 7  2  25 o 0 95.9   8.6   ?    ?   412.857  148.31       217.058    148.31       22.2176     -31.6895     
1 1 1 7  2  26 o 0 53.4   7.2   ?    ?   330.598  16.9593      123.453    16.9593      65.3231     -163.041     
1 1 1 7  2  27 o 0 121.6  12    ?    ?   609.835  -176.858     178.593    -176.858     164.97      3.14164      
1 1 1 7  2  28 o 0 251.2  20.5  ?    ?   468.057  -47.9498     482.867    -47.9498     219.911     -47.9498     
1 1 1 7  2  29 o 0 177.6  16.4  ?    ?   639.405  -17.2729     284.339    -17.2729     91.8911     162.727      
1 1 1 7  2  30 o 0 158.8  13.8  ?    ?   354.787  179.462      389.817    179.462      182.208     179.462      
1 1 1 7  2  31 o 0 91     9.8   ?    ?   467.443  66.0099      184.82     66.0099      78.8055     -113.99      
1 1 1 7  2  32 o 0 341.1  25.3  ?    ?   713.843  129.324      510.922    129.324      136.379     129.324      
1 1 1 7  2  33 o 0 172.5  15.3  ?    ?   609.318  -42.5294     297.721    -42.5294     16.2512     137.471      
1 1 1 7  2  34 o 0 157.8  14.3  ?    ?   441.414  177.651      352.619    177.651      137.272     177.651      
1 1 1 7  2  35 o 0 72.9   10.5  ?    ?   325.945  -111.652     211.622    -111.652     57.8533     -111.652     
1 1 1 7  2  36 o 0 62.3   8.7   ?    ?   253.666  -2.93215     252.484    -2.93215     100.24      -2.93215     
1 1 1 7  2  37 o 0 127.5  14    ?    ?   365.56   -19.6726     376.38     -19.6726     157.229     -19.6726     
1 1 1 7  2  38 o 0 -3.1   7.3   ?    ?   108.461  -95.0512     20.9556    84.9488      84.7148     84.9488      
1 1 1 7  2  39 o 0 19.2   7.5   ?    ?   117.206  78.5708      95.7693    78.5707      29.8696     78.5707      
1 1 1 7  2  40 o 0 33.9   7.5   ?    ?   270.851  -164.503     128.502    -164.503     16.1772     15.497       
1 1 1 7  2  41 o 0 9.9    6.7   ?    ?   125.371  -132.02      51.3405    -132.02      9.66347     47.98        
1 1 1 7  2  42 o 0 49.4   8.1   ?    ?   222.761  36.3526      224.799    36.3526      128.757     36.3526      
1 1 1 7  3  0  o 0 6.2    1.1   ?    ?   34.5352  -90          4.21512    -90          19.9771     90           
1 1 1 7  3  1  o 0 186.3  14    ?    ?   399.407  -140.319     493.107    -140.319     217.705     -140.319     
1 1 1 7  3  2  o 0 3057.4 227.4 ?    ?   1967.75  -27.0911     1879.18    -27.0911     542.311     -27.0911     
1 1 1 7  3  3  o 0 172.5  14.2  ?    ?   407.862  9.83317      444.412    9.83317      170.947     9.83317      
1 1 1 7  3  4  o 0 154.9  10.8  ?    ?   423.461  105.202      391.444    105.202      110.697     105.202      
1 1 1 7  3  5  o 0 59.9   4.3   ?    ?   242.036  -49.5499     181.525    -49.5499     22.5389     -49.5499     
1 1 1 7  3  7  o 0 427.6  32.1  ?    ?   613.205  -51.1446     744.397    -51.1446     346.934     -51.1446     
1 1 1 7  3  8  o 0 141.6  10    ?    ?   599.558  -128.204     267.727    -128.204     142.583     51.7962      
1 1 1 7  3  9  o 0 71.9   5.3   ?    ?   248.07   -88.5008     233.349    -88.5008     64.2441     -88.5008     
1 1 1 7  3  10 o 0 541.9  37.6  ?    ?   936.528  -165.725     726.448    -165.725     90.2217     -165.725     
1 1 1 7  3  11 o 0 770.1  53.5  ?    ?   939.59   18.4484      981.942    18.4484      345.697     18.4484      
1 1 1 7  3  12 o 0 114.7  8.3   ?    ?   397.207  11.3254      308.102    11.3254      40.013      11.3254      
1 1 1 7  3  14 o 0 318    22.3  ?    ?   734.402  155.95       580.245    155.95       62.6989     155.95       
1 1 1 7  3  15 o 0 245.7  18.8  ?    ?   803.6    -87.5835     396.337    -87.5835     167.493     92.4165      
1 1 1 7  3  16 o 0 155.8  13.4  ?    ?   499.512  81.7085      389.016    81.7085      40.2816     81.7085      
1 1 1 7  3  17 o 0 59.5   5.5   ?    ?   359.095  -11.6231     155.659    -11.6231     79.8923     168.377      
1 1 1 7  3  18 o 0 63.3   6.7   ?    ?   159.786  -84.8059     205.898    -84.8059     101.261     -84.8059     
1 1 1 7  3  19 o 0 112.8  8.2   ?    ?   587.1    -72.5314     202.384    -72.5314     179.385     107.469      
1 1 1 7  3  20 o 0 400.3  28.2  ?    ?   695.873  32.2204      678.36     32.2204      229.373     32.2204      
1 1 1 7  3  21 o 0 97.7   8.1   ?    ?   557.813  -177.818     169.265    -177.818     191.37      2.18172      
1 1 1 7  3  22 o 0 8.4    4     ?    ?   49.5546  -88.7151     15.8712    91.2849      47.6112     91.2849      
1 1 1 7  3  23 o 0 47.9   5.8   ?    ?   453.437  144.023      50.7298    144.023      215.884     -35.9768     
1 1 1 7  3  24 o 0 1361.2 111.7 ?    ?   1562.19  -157.553     959.563    -157.553     48.2122     -157.553     
1 1 1 7  3  25 o 0 394.7  30.5  ?    ?   661.016  64.2169      603.023    64.2169      221.885     64.2169      
1 1 1 7  3  26 o 0 36.8   6.6   ?    ?   234.711  -70.8179     84.2681    -70.8179     49.0971     109.182      
1 1 1 7  3  27 o 0 700.4  53    ?    ?   1027.4   153.071      715.516    153.071      139.434     153.071      
1 1 1 7  3  28 o 0 177.1  15.2  ?    ?   568.191  -121.324     306.676    -121.324     11.0933     58.6765      
1 1 1 7  3  29 o 0 230.5  19.7  ?    ?   694.882  -12.3198     345.573    -12.3198     65.7322     167.68       
1 1 1 7  3  30 o 0 25.8   7.3   ?    ?   64.1004  45.1438      33.541     45.1438      3.81267     -134.856     
1 1 1 7  3  31 o 0 108    11.1  ?    ?   457.505  83.4195      231.351    83.4195      25.6437     -96.5805     
1 1 1 7  3  32 o 0 33.7   7.4   ?    ?   289.568  112.447      89.1489    112.447      62.2046     -67.5528     
1 1 1 7  3  33 o 0 28.5   6.7   ?    ?   200.136  -0.766257    88.082     -0.766257    14.6692     179.234      
1 1 1 7  3  34 o 0 50.9   8.6   ?    ?   276.393  -139.935     161.461    -139.935     27.0903     -139.935     
1 1 1 7  3  35 o 0 80.9   9.9   ?    ?   375.792  -174.121     212.953    -174.121     36.2587     -174.121     
1 1 1 7  3  36 o 0 82.9   9.9   ?    ?   278.258  -114.549     308.158    -114.549     141.685     -114.549     
1 1 1 7  3  37 o 0 56.5   8.9   ?    ?   321.382  110.423      194.129    110.423      2.04876     110.423      
1 1 1 7  3  38 o 0 28.4   7.7   ?    ?   230.231  -39.1147     116.388    -39.1147     18.5609     140.885      
1 1 1 7  3  39 o 0 12.2   8.3   ?    ?   82.0205  -138.302     47.1662    -138.302     1.17716     -138.302     
1 1 1 7  3  40 o 0 26     7.6   ?    ?   209.237  -94.9603     115.582    -94.9603     4.10924     -94.9603     
1 1 1 7  3  41 o 0 10     7.3   ?    ?   209.953  -39.8717     27.2813    -39.8717     74.623      140.128      
1 1 1 7  3  42 o 0 30.4   7.7   ?    ?   269.253  56.8506      129.621    56.8506      13.811      56.8506      
1 1 1 7  4  0  o 0 1.7    0.9   ?    ?   46.2665  -90          1.15383    -90          30.8899     90           
1 1 1 7  4  1  o 0 451.6  33.7  ?    ?   941.537  -111.195     607.528    -111.195     34.9949     68.805       
1 1 1 7  4  2  o 0 875.6  65.4  ?    ?   1050.75  -100.173     1015.17    -100.173     307.995     -100.173     
1 1 1 7  4  3  o 0 663.6  45.8  ?    ?   1077.1   65.7643      766.716    65.7643      50.739      65.7643      
1 1 1 7  4  5  o 0 460.5  31.9  ?    ?   1031.59  36.5104      536.211    36.5104      136.264     -143.49      
1 1 1 7  4  8  o 0 181.4  12.8  ?    ?   315.839  88.6712      514.81     88.6712      300.217     88.6712      
1 1 1 7  4  9  o 0 127.3  9.1   ?    ?   461.364  -114.789     308.993    -114.789     3.25578     65.2107      
1 1 1 7  4  10 f 1 29.3   2.6   ?    ?   374.835  104.492      1.01596    -75.5078     253.184     -75.5078     
1 1 1 7  4  11 f 1 385.4  29.1  ?    ?   732.534  93.9778      635.135    93.9778      143.913     93.9778      
1 1 1 7  4  12 o 0 61.1   4.7   ?    ?   424.186  -127.128     139.992    -127.128     159.016     52.8725      
1 1 1 7  4  14 f 1 261.5  19.9  ?    ?   707.537  -176.711     490.621    -176.711     3.22384     3.28904      
1 1 1 7  4  15 o 0 139.4  11    ?    ?   696.325  -36.0148     222.679    -36.0149     262.503     143.985      
1 1 1 7  4  16 o 0 26.5   3.7   ?    ?   257.382  1.15174      36.922     1.15174      141.545     -178.848     
1 1 1 7  4  17 o 0 29     3.7   ?    ?   185.622  51.466       61.0734    51.466       60.4344     -128.534     
1 1 1 7  4  18 o 0 218.1  15.7  ?    ?   661.21   104.107      399.98     104.107      30.1799     -75.8931     
1 1 1 7  4  19 o 0 308.1  21.9  ?    ?   920.067  89.1067      399.877    89.1067      194.573     -90.8933     
1 1 1 7  4  20 o 0 821.8  53.5  ?    ?   1196.19  -35.4715     859.948    -35.4715     92.9825     -35.4715     
1 1 1 7  4  21 o 0 53.9   5.6   ?    ?   231.509  -93.487      166.633    -93.487      17.8708     -93.487      
1 1 1 7  4  22 o 0 271.3  25.8  ?    ?   810.543  106.306      360.256    106.306      118.322     -73.694      
1 1 1 7  4  23 o 0 1073.5 88.1  ?    ?   1433.54  127.204      832.442    127.204      8.15435     -52.7956     
1 1 1 7  4  24 o 0 416.8  32.2  ?    ?   1034.43  128.256      428.621    128.256      171.46      -51.7442     
1 1 1 7  4  25 o 0 353.9  27.8  ?    ?   1010.23  9.64617      355.701    9.64617      223.619     -170.354     
1 1 1 7  4  26 o 0 90.8   9     ?    ?   435.815  -154.083     190.367    -154.083     55.9587     25.9172      
1 1 1 7  4  27 o 0 98.8   9.7   ?    ?   482.66   87.9618      186.226    87.9618      83.0224     -92.0382     
1 1 1 7  4  28 o 0 726    60.2  ?    ?   967.563  -158.036     746.929    -158.036     208.492     -158.036     
1 1 1 7  4  29 o 0 87.2   9.2   ?    ?   355.13   73.1967      225.3      73.1967      16.1069     73.1967      
1 1 1 7  4  30 o 0 177.8  15.2  ?    ?   634.361  -27.0547     279.412    -27.0547     88.5329     152.945      
1 1 1 7  4  31 o 0 -0.4   6.2   ?    ?   148.529  -20.6875     54.6677    159.312      137.725     159.312      
1 1 1 7  4  32 o 0 119.6  11.1  ?    ?   537.464  -86.6105     230.637    -86.6105     49.0641     93.3895      
1 1 1 7  4  33 o 0 177.4  15.9  ?    ?   642.503  112.313      300.968    112.313      15.9358     -67.6866     
1 1 1 7  4  34 o 0 213.7  19.4  ?    ?   642.58   -5.90951     353.06     -5.90951     41.9374     -5.90951     
1 1 1 7  4  35 o 0 6.1    8.2   ?    ?   175.958  104.175      12.4899    -75.8255     94.8981     -75.8255     
1 1 1 7  4  36 o 0 46.1   8     ?    ?   442.088  41.9292      92.1694    41.9292      171.311     -138.071     
1 1 1 7  4  37 o 0 193    15.9  ?    ?   509.902  -176.332     435.572    -176.332     131.939     -176.332     
1 1 1 7  4  38 o 0 76.5   12.2  ?    ?   309.024  163.841      257.818    163.841      77.3277     163.841      
1 1 1 7  4  39 o 0 10.5   8.3   ?    ?   116.765  27.9931      39.7279    27.9931      25.5181     -152.007     
1 1 1 7  4  40 o 0 2.3    7.5   ?    ?   14.9038  -84.9063     3.57493    -84.9063     4.24937     95.0937      
1 1 1 7  4  41 o 0 117.9  11.3  ?    ?   525.276  -157.721     270.967    -157.721     16.8283     -157.721     
1 1 1 7  4  42 o 0 3.6    6.9   ?    ?   125.655  -112.06      29.3781    -112.06      24.5024     67.9397      
1 1 1 7  5  0  o 0 7.6    1.4   ?    ?   199.833  90           28.0749    90           109.029     -90          
1 1 1 7  5  1  o 0 410.9  30.7  ?    ?   882.101  139.794      583.164    139.794      13.8592     -40.2063     
1 1 1 7  5  2  o 0 1016.8 75.9  ?    ?   1212.12  140.649      1035.01    140.649      225.07      140.649      
1 1 1 7  5  3  o 0 856.1  59.1  ?    ?   1274.5   -93.4729     835.17     -93.4729     6.65085     86.5271      
1 1 1 7  5  5  o 0 258.9  18    ?    ?   673.179  -171.878     449.088    -171.878     12.6393     -171.878     
1 1 1 7  5  7  o 0 308.9  20.3  ?    ?   838.451  69.9625      453.359    69.9625      115.943     -110.038     
1 1 1 7  5  9  o 0 93.5   6.7   ?    ?   383.942  90.3725      252.017    90.3725      6.37864     -89.6275     
1 1 1 7  5  10 o 0 182.6  12.9  ?    ?   821.176  101.345      219.014    101.345      331.653     -78.6548     
1 1 1 7  5  11 o 0 308.6  21.7  ?    ?   477.293  1.65466      725.886    1.65466      390.357     1.65466      
1 1 1 7  5  12 o 0 63.2   4.9   ?    ?   437.021  165.052      140.441    165.052      165.734     -14.9485     
1 1 1 7  5  13 o 0 3.4    2.3   ?    ?   126.605  -127.015     69.8977    52.9854      158.279     52.9854      
1 1 1 7  5  14 o 0 513.8  42.4  ?    ?   1129.49  175.007      602.828    175.007      182.579     -4.99315     
1 1 1 7  5  15 o 0 277.7  21.1  ?    ?   711.16   -147.206     513.117    -147.206     20.7516     -147.206     
1 1 1 7  5  16 o 0 367    27.8  ?    ?   954.418  -38.7664     477.102    -38.7664     144.203     141.234      
1 1 1 7  5  17 o 0 31.3   3.7   ?    ?   259.297  97.4861      62.8783    97.4861      105.773     -82.5139     
1 1 1 7  5  18 o 0 33.3   4.1   ?    ?   243.409  -138.21      76.4764    -138.21      80.8709     41.7896      
1 1 1 7  5  19 o 0 130.9  10    ?    ?   412.186  69.1321      343.613    69.1321      78.9805     69.1321      
1 1 1 7  5  20 o 0 308.4  22    ?    ?   762.188  -19.3846     485.84     -19.3846     4.9736      160.615      
1 1 1 7  5  21 o 0 99.4   8.4   ?    ?   391.411  23.024       261.247    23.024       11.2856     23.024       
1 1 1 7  5  22 o 0 25.5   4.1   ?    ?   271.223  24.9704      21.1789    24.9704      137.991     -155.03      
1 1 1 7  5  23 f 1 289.2  20.9  ?    ?   607.888  -42.5253     493.076    -42.5253     139.661     -42.5253     
1 1 1 7  5  24 f 1 601.3  49.9  ?    ?   884.364  20.6929      716.702    20.6929      207.989     20.6929      
1 1 1 7  5  25 o 0 219    25.2  ?    ?   745.302  106.661      296.527    106.661      127.499     -73.3386     
1 1 1 7  5  26 o 0 16.6   6.3   ?    ?   25.225   -68.8147     0.482311   -68.8147     13.6949     111.185      
1 1 1 7  5  27 o 0 189.6  15    ?    ?   570.629  49.4161      329.548    49.4161      9.32689     49.4161      
1 1 1 7  5  28 o 0 374    25.6  ?    ?   797.248  -73.1646     505.91     -73.1646     36.7457     -73.1646     
1 1 1 7  5  29 o 0 17.2   7.7   ?    ?   179.631  -123.056     5.45486    -123.056     99.8028     56.9438      
1 1 1 7  5  30 o 0 54.5   9.3   ?    ?   358.465  125.613      129.235    125.613      73.4542     -54.3874     
1 1 1 7  5  31 o 0 79.9   8.7   ?    ?   280.465  -102.409     237.507    -102.409     81.4557     -102.409     
1 1 1 7  5  32 o 0 517.2  35.1  ?    ?   1081.36  50.3742      522.46     50.3742      37.5425     -129.626     
1 1 1 7  5  33 o 0 66.2   8.4   ?    ?   433.081  -78.9158     149.793    -78.9158     62.7999     101.084      
1 1 1 7  5  34 o 0 36.5   7.6   ?    ?   264.879  -167.402     118.867    -167.402     7.01563     12.5978      
1 1 1 7  5  35 o 0 42.7   9.9   ?    ?   228.602  38.1973      149.477    38.1973      37.9769     38.1973      
1 1 1 7  5  36 o 0 125.1  12.5  ?    ?   356.958  158.602      380.923    158.602      164.854     158.602      
1 1 1 7  5  37 o 0 140.8  16.7  ?    ?   469.299  -35.0603     342.124    -35.0603     63.2555     -35.0603     
1 1 1 7  5  38 o 0 -0.5   6.8   ?    ?   203.178  17.2668      41.2376    -162.733     156.843     -162.733     
1 1 1 7  5  39 o 0 4.2    7     ?    ?   162.385  79.6291      1.21118    -100.371     89.0861     -100.371     
1 1 1 7  5  40 o 0 12.2   7.9   ?    ?   99.0761  -0.635267    59.3935    -0.635267    7.58566     -0.635267    
1 1 1 7  5  41 o 0 18.3   8.4   ?    ?   161.642  -120.261     87.8869    -120.261     9.98213     -120.261     
1 1 1 7  5  42 o 0 -9.3   6.8   ?    ?   108.93   0.216006     4.71205    -179.784     51.2459     -179.784     
1 1 1 7  6  0  f 1 39.8   5.6   ?    ?   330.452  90           164.178    90           60.1897     -90          
1 1 1 7  6  1  o 0 295.7  24.3  ?    ?   641.715  167.144      549.512    167.144      118.052     167.144      
1 1 1 7  6  2  o 0 644.4  44.7  ?    ?   1208.3   170.795      659.36     170.795      143.561     -9.20527     
1 1 1 7  6  3  o 0 2011   149.6 ?    ?   2094.72  21.1531      1164.35    21.1531      212.724     -158.847     
1 1 1 7  6  4  o 0 46.2   3.2   ?    ?   268.184  61.5609      126.09     61.5609      59.1662     -118.439     
1 1 1 7  6  5  f 1 278.2  18.1  ?    ?   610.648  -15.3369     550.163    -15.3369     132.869     -15.3369     
1 1 1 7  6  6  o 0 1750.7 120.8 ?    ?   2023.04  73.0863      1082.07    73.0863      294.325     -106.914     
1 1 1 7  6  7  o 0 442.5  28.7  ?    ?   921.814  97.5673      601.967    97.5673      21.5154     -82.4327     
1 1 1 7  6  8  o 0 136.3  9     ?    ?   508.133  -108.457     304.04     -108.457     37.9297     71.5427      
1 1 1 7  6  9  o 0 68.1   4.7   ?    ?   501.867  75.8247      103.559    75.8247      232.732     -104.175     
1 1 1 7  6  10 o 0 45.6   3.4   ?    ?   267.166  -71.8716     119.24     -71.8716     59.0835     108.128      
1 1 1 7  6  11 o 0 204.7  15.7  ?    ?   725.968  -85.988      360.72     -85.988      147.1       94.012       
1 1 1 7  6  12 o 0 28.5   3.4   ?    ?   374.065  112.613      4.84008    112.613      255.858     -67.3871     
1 1 1 7  6  14 o 0 236.3  19.7  ?    ?   637.523  -20.8098     478.814    -20.8098     38.0257     -20.8098     
1 1 1 7  6  15 o 0 68.6   5.5   ?    ?   443.588  66.1116      155.274    66.1116      150.041     -113.888     
1 1 1 7  6  16 o 0 71.8   5.5   ?    ?   677.828  134.819      22.8184    134.819      417.825     -45.1809     
1 1 1 7  6  17 o 0 24.2   4     ?    ?   179.537  -103.558     35.3365    -103.558     80.7266     76.4416      
1 1 1 7  6  18 o 0 61.4   5.7   ?    ?   183.528  -70.6958     201.121    -70.6958     83.2132     -70.6958     
1 1 1 7  6  19 o 0 121.7  9.6   ?    ?   656.309  -97.4455     181.851    -97.4455     236.902     82.5545      
1 1 1 7  6  20 o 0 134.3  10.4  ?    ?   528.149  -29.2263     281.417    -29.2263     56.5747     150.774      
1 1 1 7  6  21 o 0 51.3   5.1   ?    ?   319.554  133.02       130.441    133.02       72.3652     -46.9796     
1 1 1 7  6  22 o 0 169.2  12.1  ?    ?   536.427  -15.9236     325.783    -15.9236     12.92       -15.9236     
1 1 1 7  6  23 o 0 421.5  30    ?    ?   982.184  -139.176     463.812    -139.176     105.172     40.8238      
1 1 1 7  6  24 o 0 99.9   10.1  ?    ?   542.171  -118.052     162.093    -118.052     148.683     61.9483      
1 1 1 7  6  25 o 0 142.4  13.4  ?    ?   369.638  -101.119     340.818    -101.119     131.783     -101.119     
1 1 1 7  6  26 o 0 6.2    5.8   ?    ?   300.356  -27.6951     103.232    152.305      271.038     152.305      
1 1 1 7  6  27 o 0 106.1  9.2   ?    ?   488.179  -46.4557     199.329    -46.4557     73.019      133.544      
1 1 1 7  6  28 o 0 991.8  64.9  ?    ?   1254.26  8.07987      853.866    8.07987      120.021     8.07987      
1 1 1 7  6  29 o 0 268.2  20.8  ?    ?   433.174  -112.901     540.183    -112.901     287.8       -112.901     
1 1 1 7  6  30 o 0 146.4  13.3  ?    ?   479.754  162.834      305.209    162.834      35.4539     162.834      
1 1 1 7  6  31 o 0 14.2   7.7   ?    ?   246.765  130.375      16.9965    -49.6246     153.543     -49.6246     
1 1 1 7  6  32 o 0 30.9   7.5   ?    ?   207.142  158.386      97.9811    158.386      8.71255     -21.6142     
1 1 1 7  6  33 o 0 78.1   9.6   ?    ?   368.053  -1.20573     209.227    -1.20573     29.5108     -1.20573     
1 1 1 7  6  34 o 0 105.2  12.3  ?    ?   296.422  98.1036      303.104    98.1036      162.961     98.1036      
1 1 1 7  6  35 o 0 55.8   8.5   ?    ?   265.793  41.0295      180.494    41.0295      51.5125     41.0295      
1 1 1 7  6  36 o 0 10.3   8.3   ?    ?   161.081  -34.7955     24.586     -34.7955     72.4309     145.204      
1 1 1 7  6  37 o 0 66.9   9.9   ?    ?   292.857  12.1097      242.269    12.1097      69.0977     12.1097      
1 1 1 7  6  38 o 0 28.3   7.4   ?    ?   52.5142  147.399      119.937    147.399      90.2002     147.399      
1 1 1 7  6  39 o 0 7.5    8     ?    ?   111.505  -75.8815     28.7467    -75.8815     31.3114     104.118      
1 1 1 7  6  40 o 0 3.7    7.5   ?    ?   152.852  9.75402      6.89005    9.75401      72.6709     -170.246     
1 1 1 7  6  41 o 0 4.1    7.6   ?    ?   224.562  -33.8747     7.96606    146.125      115.709     146.125      
1 1 1 7  7  0  o 0 4.6    1.4   ?    ?   17.3557  -90          1.5038     -90          10.9444     90           
1 1 1 7  7  1  o 0 615.9  42.6  ?    ?   811.882  -132.469     939.229    -132.469     363.373     -132.469     
1 1 1 7  7  2  o 0 1309   90.4  ?    ?   1592.97  -90.2148     1081.2     -90.2148     36.6404     89.7852      
1 1 1 7  7  3  o 0 1382.1 103   ?    ?   1656.35  36.0375      1080.16    36.0375      70.664      -143.963     
1 1 1 7  7  5  o 0 475.6  30.8  ?    ?   1119.63  9.96354      523.447    9.96354      241.43      -170.036     
1 1 1 7  7  6  o 0 816.5  52.8  ?    ?   1436.26  -103.732     706.921    -103.732     267.498     76.2683      
1 1 1 7  7  7  o 0 426.2  27.7  ?    ?   907.774  -165.786     585.618    -165.786     26.5705     14.2144      
1 1 1 7  7  8  f 1 105.6  7.1   ?    ?   444.94   23.947       256.206    23.947       41.5201     -156.053     
1 1 1 7  7  9  o 0 39.3   3.2   ?    ?   333.581  -134.543     84.524     -134.543     149.781     45.4571      
1 1 1 7  7  10 o 0 33.4   2.9   ?    ?   509.108  -66.7682     39.9804    113.232      396.05      113.232      
1 1 1 7  7  11 o 0 492.8  34.3  ?    ?   798.515  -117.103     801.123    -117.103     244.912     -117.103     
1 1 1 7  7  12 o 0 13.9   2.3   ?    ?   229.305  79.3077      40.5309    -100.692     199.61      -100.692     
1 1 1 7  7  13 o 0 8.3    2.3   ?    ?   222.134  84.5767      80.8463    -95.4233     234.31      -95.4233     
1 1 1 7  7  14 o 0 295    24.5  ?    ?   756.911  14.9408      510.963    14.9408      9.64661     -165.059     
1 1 1 7  7  15 o 0 233.5  18    ?    ?   925.938  66.4577      267.915    66.4577      330.964     -113.542     
1 1 1 7  7  16 o 0 59     5.3   ?    ?   214.523  48.1838      194.567    48.1838      55.9024     48.1838      
1 1 1 7  7  17 o 0 6      2.9   ?    ?   110.511  -97.3893     45.3412    82.6107      116.363     82.6107      
1 1 1 7  7  18 o 0 231.1  16.7  ?    ?   716.631  14.0055      384.841    14.0055      72.7911     -165.994     
1 1 1 7  7  19 o 0 54.3   5.9   ?    ?   55.2534  30.7827      79.9259    30.7827      44.5151     30.7827      
1 1 1 7  7  20 o 0 143.3  12.1  ?    ?   524.076  -60.6127     303.376    -60.6127     29.9275     119.387      
1 1 1 7  7  21 o 0 101.4  7.9   ?    ?   441.072  -122.604     221.463    -122.604     36.5026     57.3961      
1 1 1 7  7  22 o 0 51.4   5.5   ?    ?   232.326  -124.195     141.367    -124.195     6.307       -124.195     
1 1 1 7  7  23 o 0 302.7  22.1  ?    ?   760.155  -99.1176     424.41     -99.1176     13.1761     80.8824      
1 1 1 7  7  24 o 0 623.9  47.3  ?    ?   1161.85  -147.34      576.007    -147.34      85.7777     32.6599      
1 1 1 7  7  25 o 0 26.6   5.8   ?    ?   190.098  -81.7894     42.417     -81.7894     64.4104     98.2106      
1 1 1 7  7  26 o 0 87.1   8.5   ?    ?   484.062  12.6542      154.916    12.6542      116.935     -167.346     
1 1 1 7  7  27 o 0 378.5  27.6  ?    ?   694.171  -165.163     536.092    -165.163     151.226     -165.163     
1 1 1 7  7  28 o 0 235.1  17.2  ?    ?   717.065  104.409      339.168    104.409      82.1001     -75.5908     
1 1 1 7  7  29 o 0 67.1   8.3   ?    ?   300.681  19.1393      186.429    19.1393      12.3079     19.1393      
1 1 1 7  7  30 o 0 38.4   7.2   ?    ?   283.362  -48.345      99.5667    -48.345      58.8014     131.655      
1 1 1 7  7  31 o 0 40.1   7.7   ?    ?   100.572  131.699      123.641    131.699      71.2754     131.699      
1 1 1 7  7  32 o 0 223.9  17.1  ?    ?   744.226  -115.509     332.109    -115.509     35.5456     64.4909      
1 1 1 7  7  33 o 0 113.7  11.5  ?    ?   410.807  111.145      275.17     111.145      75.7417     111.145      
1 1 1 7  7  34 o 0 39.2   8.4   ?    ?   191.835  -118.23      145.913    -118.23      55.7369     -118.23      
1 1 1 7  7  35 f 1 4      6.2   ?    ?   193.62   -123.297     38.4184    56.7029      154.066     56.7029      
1 1 1 7  7  36 o 0 14.2   7     ?    ?   188.977  -119.937     41.0073    -119.937     72.1788     60.0627      
1 1 1 7  7  37 o 0 38.1   7.7   ?    ?   339.5    50.9901      109.228    50.9901      90.4262     -129.01      
1 1 1 7  7  38 o 0 7.4    7.2   ?    ?   83.3182  12.1872      22.518     12.1872      24.4078     -167.813     
1 1 1 7  7  39 o 0 6      6.7   ?    ?   47.63    44.6407      13.0444    44.6407      12.4737     -135.359     
1 1 1 7  7  40 o 0 5.6    8.3   ?    ?   109.538  -61.9684     25.3999    -61.9684     31.318      118.032      
1 1 1 7  7  41 f 1 50.7   8.6   ?    ?   322.933  -137.308     190.508    -137.308     50.8675     -137.308     
1 1 1 7  8  0  o 0 50.3   5.7   ?    ?   182.108  -90          152.118    -90          22.3104     -90          
1 1 1 7  8  1  o 0 181.6  13.7  ?    ?   621.711  49.051       359.339    49.051       79.4131     -130.949     
1 1 1 7  8  2  o 0 361.2  27.2  ?    ?   785.464  -37.1637     587.472    -37.1637     38.5138     -37.1637     
1 1 1 7  8  3  o 0 905.6  58.5  ?    ?   1435.93  -155.073     812.528    -155.073     181.886     24.9268      
1 1 1 7  8  4  o 0 115.5  8.8   ?    ?   488.899  -31.951      265.049    -31.951      70.6774     148.049      
1 1 1 7  8  5  o 0 94.6   6.7   ?    ?   493.301  104.367      199.171    104.367      137.001     -75.6332     
1 1 1 7  8  6  o 0 161.3  10.6  ?    ?   615.388  -48.4957     302.54     -48.4957     113.974     131.504      
1 1 1 7  8  7  o 0 61.9   4.8   ?    ?   117.462  19.7606      161.344    19.7606      82.3243     19.7606      
1 1 1 7  8  10 o 0 93.4   6.8   ?    ?   579.163  -101.857     163.151    -101.857     240.546     78.1434      
1 1 1 7  8  11 f 1 281.4  19.8  ?    ?   434.882  -117.228     692.373    -117.228     391.372     -117.228     
1 1 1 7  8  12 o 0 239.9  18.2  ?    ?   516.046  89.1283      561.518    89.1283      205.006     89.1283      
1 1 1 7  8  13 o 0 15.5   3.4   ?    ?   55.9486  -148.374     1.67296    31.6256      40.1498     31.6256      
1 1 1 7  8  14 o 0 459.2  34.7  ?    ?   1015.09  128.852      566.723    128.852      89.741      -51.1482     
1 1 1 7  8  15 o 0 24.3   2.8   ?    ?   390.801  -143.908     26.6856    36.0921      279.299     36.0921      
1 1 1 7  8  16 o 0 1414.6 97.8  ?    ?   1598     -33.5754     1104.42    -33.5754     77.1661     -33.5754     
1 1 1 7  8  17 o 0 2.6    2.9   ?    ?   149.893  43.9393      76.9225    -136.061     172.701     -136.061     
1 1 1 7  8  18 o 0 122.6  9.6   ?    ?   513.292  4.02385      265.004    4.02385      60.8339     -175.976     
1 1 1 7  8  19 o 0 224.9  17.9  ?    ?   413.242  -136.491     534.542    -136.491     271.32      -136.491     
1 1 1 7  8  20 o 0 1150.9 79.8  ?    ?   1295.88  155.652      981.441    155.652      221.932     155.652      
1 1 1 7  8  21 o 0 5.4    3.5   ?    ?   147.851  64.2113      58.0532    -115.789     143.976     -115.789     
1 1 1 7  8  22 o 0 18.3   4.3   ?    ?   195.336  -159.965     1.87929    20.0354      114.706     20.0354      
1 1 1 7  8  23 o 0 3.2    4.1   ?    ?   461.666  -81.9051     207.123    98.0949      471.158     98.0949      
1 1 1 7  8  24 o 0 617.9  47    ?    ?   1040.53  -124.394     634.12     -124.394     46.5769     -124.394     
1 1 1 7  8  25 o 0 503.8  36    ?    ?   958.636  85.9398      555.071    85.9398      19.884      85.9398      
1 1 1 7  8  26 o 0 48     6.8   ?    ?   205.722  80.6473      135.987    80.6473      21.2101     80.6473      
1 1 1 7  8  27 o 0 31.5   6.7   ?    ?   352.495  57.327       30.04      57.327       176.384     -122.673     
1 1 1 7  8  28 o 0 393.5  28.9  ?    ?   785.312  173.249      524.355    173.249      66.0037     173.249      
1 1 1 7  8  29 o 0 935.6  61.4  ?    ?   1088.08  -161.32      884.654    -161.32      271.253     -161.32      
1 1 1 7  8  30 o 0 49.7   8     ?    ?   162.336  26.9292      166.469    26.9292      76.327      26.9292      
1 1 1 7  8  31 o 0 8.6    6.9   ?    ?   154.019  -154.646     14.9047    25.3539      94.5836     25.3539      
1 1 1 7  8  32 o 0 8      7.9   ?    ?   278.361  64.0649      38.7064    -115.935     175.345     -115.935     
1 1 1 7  8  33 o 0 8.2    6.9   ?    ?   144.109  -140.55      2.17275    39.4499      70.7256     39.4499      
1 1 1 7  8  34 o 0 104.1  10.9  ?    ?   323.021  -84.2308     284.707    -84.2308     126.844     -84.2308     
1 1 1 7  8  35 o 0 4.1    6.9   ?    ?   178.023  130.452      28.911     -49.5481     134.857     -49.5481     
1 1 1 7  8  36 o 0 49.1   8     ?    ?   333.01   -99.1271     159.68     -99.1271     38.553      80.8729      
1 1 1 7  8  37 o 0 86.8   9.1   ?    ?   325.8    -89.7044     285.412    -89.7044     94.9728     -89.7044     
1 1 1 7  8  38 o 0 17.1   7.2   ?    ?   150.29   107.965      81.7752    107.965      0.0415858   -72.0353     
1 1 1 7  8  39 o 0 16.1   6.9   ?    ?   140.093  -171.266     81.8831    -171.266     8.11499     -171.266     
1 1 1 7  8  40 o 0 6.3    7.3   ?    ?   130.463  -82.6065     30.905     -82.6065     32.4753     97.3935      
1 1 1 7  8  41 o 0 102.5  14.3  ?    ?   396.911  31.5399      292.617    31.5399      121.536     31.5399      
1 1 1 7  9  0  o 0 0.7    1.7   ?    ?   139.665  -90          2.1354     -90          96.8236     90           
1 1 1 7  9  1  o 0 192    16    ?    ?   572.256  99.2295      411.394    99.2295      9.53118     99.2295      
1 1 1 7  9  2  o 0 655.3  45.5  ?    ?   1272.2   90.6707      655.486    90.6707      230.089     -89.3293     
1 1 1 7  9  3  o 0 1145.7 74    ?    ?   1414.41  -126.773     1042.74    -126.773     66.4446     -126.773     
1 1 1 7  9  5  f 1 102.5  7.3   ?    ?   657.677  -129.063     136.78     -129.063     298.897     50.9366      
1 1 1 7  9  6  o 0 541.4  35.1  ?    ?   941.104  19.5278      789.193    19.5278      120.746     19.5278      
1 1 1 7  9  8  o 0 196.4  12.9  ?    ?   635.731  139.956      403.136    139.956      43.1141     -40.0441     
1 1 1 7  9  9  o 0 44.9   3.5   ?    ?   301.295  68.0903      124.855    68.0903      85.5285     -111.91      
1 1 1 7  9  10 o 0 118.5  8.5   ?    ?   384.061  149.733      352.949    149.733      86.1086     149.733      
1 1 1 7  9  11 o 0 147    12.5  ?    ?   239.52   148.315      486.819    148.315      321.209     148.315      
1 1 1 7  9  12 f 1 25.7   2.5   ?    ?   315.549  -51.7555     13.2183    -51.7555     203.349     128.245      
1 1 1 7  9  13 o 0 13.9   2.2   ?    ?   109.96   -110.446     11.6475    69.554       82.7858     69.554       
1 1 1 7  9  14 o 0 251.1  16.6  ?    ?   768.542  -137.125     395.11     -137.125     101.841     42.8745      
1 1 1 7  9  15 o 0 471.9  33    ?    ?   949.47   -25.2498     618.043    -25.2498     7.44001     -25.2498     
1 1 1 7  9  16 f 1 779.9  54.4  ?    ?   1150.89  117.949      842.929    117.949      108.995     117.949      
1 1 1 7  9  17 o 0 42.2   4.9   ?    ?   360.311  -139.869     79.5272    -139.869     149.394     40.1314      
1 1 1 7  9  18 o 0 2218.7 165.4 ?    ?   1992.59  150.07       1347.27    150.07       76.5204     150.07       
1 1 1 7  9  19 o 0 1055.3 73.3  ?    ?   1423.07  -151.522     901.791    -151.522     0.915587    -151.522     
1 1 1 7  9  20 o 0 2133.4 147.4 ?    ?   1664.96  -50.6041     1377.03    -50.6041     407.387     -50.6041     
1 1 1 7  9  21 o 0 41.2   4.9   ?    ?   330.975  40.951       75.2733    40.951       116.41      -139.049     
1 1 1 7  9  22 o 0 186.2  15.2  ?    ?   473.892  -42.1676     382.023    -42.1676     110.11      -42.1676     
1 1 1 7  9  23 o 0 837.5  63    ?    ?   1254.43  83.7174      719.585    83.7174      8.50266     83.7174      
1 1 1 7  9  24 o 0 182    14.2  ?    ?   628.436  123.992      291.003    123.992      61.4423     -56.0077     
1 1 1 7  9  25 o 0 96     8.9   ?    ?   387.009  -72.5342     223.378    -72.5342     6.32139     -72.5342     
1 1 1 7  9  26 o 0 102.4  9.7   ?    ?   450.996  -127.612     206.757    -127.612     43.1347     52.3885      
1 1 1 7  9  27 o 0 9.1    5.6   ?    ?   251.516  70.7531      64.0673    -109.247     211.852     -109.247     
1 1 1 7  9  28 o 0 92.1   9.8   ?    ?   577.263  101.596      122.522    101.596      212.073     -78.404      
1 1 1 7  9  29 o 0 102.3  10.5  ?    ?   420.379  -76.2745     235.164    -76.2746     0.187536    103.725      
1 1 1 7  9  30 o 0 150.1  13.4  ?    ?   385.13   111.908      366.032    111.908      164.994     111.908      
1 1 1 7  9  31 o 0 124.7  13.4  ?    ?   486.848  -61.3501     260.795    -61.3501     10.663      -61.3501     
1 1 1 7  9  32 o 0 111.5  12.8  ?    ?   530.061  46.3564      218.39     46.3564      40.0183     -133.644     
1 1 1 7  9  33 o 0 131.9  12.7  ?    ?   463.812  60.4012      292.259    60.4012      73.1245     60.4012      
1 1 1 7  9  34 o 0 75.6   9.2   ?    ?   210.193  30.2745      317.389    30.2745      190.77      30.2745      
1 1 1 7  9  35 o 0 36     6.8   ?    ?   219.343  105.47       163.009    105.47       30.7399     105.47       
1 1 1 7  9  36 o 0 41.1   7.1   ?    ?   262.509  96.8183      164.077    96.8183      8.51237     96.8183      
1 1 1 7  9  37 o 0 24.1   7     ?    ?   88.7271  99.401       128.551    99.401       78.1504     99.401       
1 1 1 7  9  38 o 0 93.1   11.8  ?    ?   348.001  -82.9265     289.705    -82.9265     101.498     -82.9265     
1 1 1 7  9  39 o 0 1.4    7.6   ?    ?   37.0467  117.667      6.78997    117.667      12.5908     -62.3331     
1 1 1 7  9  40 o 0 62.8   9.1   ?    ?   337.598  -90.6185     210.448    -90.6185     47.4961     -90.6185     
1 1 1 7  10 0  o 0 4.5    2     ?    ?   228.964  -90          18.3114    -90          151.296     90           
1 1 1 7  10 1  o 0 328.4  24.7  ?    ?   734.657  -117.433     623.264    -117.433     83.372      -117.433     
1 1 1 7  10 2  o 0 506.4  35.2  ?    ?   870.748  95.9184      808.504    95.9184      173.665     95.9184      
1 1 1 7  10 3  o 0 183.5  13.9  ?    ?   570.26   6.39125      427.333    6.39125      14.7817     6.39125      
1 1 1 7  10 5  o 0 38.3   2.9   ?    ?   127.012  142.372      99.5537    142.372      8.98519     142.372      
1 1 1 7  10 6  o 0 535.9  34.8  ?    ?   922.614  152.412      791.765    152.412      138.19      152.412      
1 1 1 7  10 7  o 0 177    12.5  ?    ?   495.636  -33.6979     447.066    -33.6979     98.1172     -33.6979     
1 1 1 7  10 8  o 0 53.9   4.5   ?    ?   494.486  -140.966     68.4044    -140.966     277.725     39.034       
1 1 1 7  10 9  o 0 52.9   4.6   ?    ?   335.661  -86.9785     147.653    -86.9785     86.0142     93.0215      
1 1 1 7  10 10 o 0 502.5  41.2  ?    ?   841.963  -125.329     779.558    -125.329     196.532     -125.329     
1 1 1 7  10 11 o 0 621.8  46.6  ?    ?   1010.31  88.4032      820.177    88.4032      124.204     88.4032      
1 1 1 7  10 12 o 0 89.7   6.8   ?    ?   803.456  60.4313      6.08976    60.4313      514.152     -119.569     
1 1 1 7  10 13 o 0 31.7   3     ?    ?   264.724  143.946      63.4406    143.946      107.853     -36.0545     
1 1 1 7  10 14 o 0 31.2   3.1   ?    ?   122.938  -137.371     62.5796    -137.371     16.5315     42.6291      
1 1 1 7  10 15 o 0 829.4  53.8  ?    ?   977.361  55.6144      1000.32    55.6144      375.025     55.6144      
1 1 1 7  10 16 o 0 920.6  63.9  ?    ?   1261.61  97.1225      904.718    97.1225      102.522     97.1225      
1 1 1 7  10 17 o 0 59.4   6.8   ?    ?   337.105  -91.6989     155.771    -91.6989     59.4334     88.3011      
1 1 1 7  10 18 o 0 532.3  40.3  ?    ?   1069.69  89.9884      598.679    89.9884      79.3767     -90.0116     
1 1 1 7  10 19 o 0 195.7  16.1  ?    ?   698.615  -53.0896     290.114    -53.0896     117.434     126.91       
1 1 1 7  10 20 o 0 607.3  42.6  ?    ?   859.265  -62.1699     742.844    -62.1699     244.15      -62.1699     
1 1 1 7  10 21 o 0 29.5   4.9   ?    ?   191.574  13.5365      52.829     13.5365      57.3801     -166.464     
1 1 1 7  10 22 f 1 63.3   7     ?    ?   557.782  46.54        50.8492    46.54        266.197     -133.46      
1 1 1 7  10 23 o 0 180.9  15.1  ?    ?   407.688  99.491       398.516    99.491       169.021     99.491       
1 1 1 7  10 24 o 0 281    19.7  ?    ?   634.747  -163.529     446.933    -163.529     93.4618     -163.529     
1 1 1 7  10 25 o 0 173.7  13.5  ?    ?   399.499  -99.548      381.465    -99.548      159.004     -99.548      
1 1 1 7  10 26 o 0 87.3   8.8   ?    ?   383.647  -132.061     210.742    -132.061     13.6388     47.939       
1 1 1 7  10 27 o 0 115.3  10.3  ?    ?   379.308  -19.8031     283.02     -19.8031     61.7667     -19.8031     
1 1 1 7  10 28 o 0 57.4   7.8   ?    ?   668.967  69.3571      18.4252    -110.643     395.599     -110.643     
1 1 1 7  10 29 o 0 364.4  27.3  ?    ?   743.323  38.1978      504.641    38.1978      91.5339     38.1978      
1 1 1 7  10 30 f 1 15.8   7.9   ?    ?   79.5271  -161.273     18.7342    -161.273     22.3687     18.7269      
1 1 1 7  10 31 o 0 127.7  13.4  ?    ?   448.235  -140.588     293.139    -140.588     72.5865     -140.588     
1 1 1 7  10 32 o 0 3.7    7.6   ?    ?   119.325  -69.7083     12.8061    110.292      69.7512     110.292      
1 1 1 7  10 33 o 0 25.2   7.1   ?    ?   181.116  90.8225      87.9593    90.8225      3.01336     90.8225      
1 1 1 7  10 34 o 0 37.8   6.6   ?    ?   234.901  133.895      161.682    133.895      21.2097     133.895      
1 1 1 7  10 35 o 0 23.1   6.4   ?    ?   199.304  83.2431      102.387    83.2431      16.927      -96.7569     
1 1 1 7  10 36 o 0 0.6    5.7   ?    ?   122.415  15.5579      23.9966    -164.442     96.0173     -164.442     
1 1 1 7  10 37 o 0 12.3   6.9   ?    ?   172.076  -76.3254     39.8012    -76.3254     57.243      103.675      
1 1 1 7  10 38 o 0 33.1   7.5   ?    ?   97.8605  -11.6419     177.466    -11.6419     124.918     -11.6419     
1 1 1 7  10 39 o 0 20.7   7.4   ?    ?   107.399  -61.6833     121.471    -61.6833     68.8232     -61.6833     
1 1 1 7  10 40 o 0 3.1    9.6   ?    ?   204.628  12.1499      16.8715    12.1499      72.2035     -167.85      
1 1 1 7  11 0  o 0 3.2    2.9   ?    ?   322.403  90           15.5387    90           221.746     -90          
1 1 1 7  11 1  f 1 60.6   5.5   ?    ?   319.191  41.5033      197.017    41.5033      35.6465     -138.497     
1 1 1 7  11 2  o 0 71.4   5     ?    ?   489.979  14.4723      146.794    14.4723      208.722     -165.528     
1 1 1 7  11 3  o 0 65.9   4.6   ?    ?   366.221  13.4819      194.216    13.4819      69.6199     -166.518     
1 1 1 7  11 6  o 0 120.9  10.2  ?    ?   550.551  -110.467     267.506    -110.467     121.254     69.5325      
1 1 1 7  11 7  o 0 650.1  48.7  ?    ?   1373.19  59.7121      619.1      59.7121      344.624     -120.288     
1 1 1 7  11 10 o 0 223.8  15.8  ?    ?   645.672  84.4304      424.12     84.4304      3.22746     84.4304      
1 1 1 7  11 11 o 0 25.2   2.6   ?    ?   303.845  -46.5472     14.8854    -46.5472     183.009     133.453      
1 1 1 7  11 12 o 0 99.4   7.5   ?    ?   448.632  -71.8548     241.606    -71.8548     48.9741     108.145      
1 1 1 7  11 13 o 0 10.2   2     ?    ?   274.9    -76.5942     79.4328    103.406      256.48      103.406      
1 1 1 7  11 14 f 1 54.9   4.5   ?    ?   513.294  3.74764      56.6751    3.74764      271.131     -176.252     
1 1 1 7  11 15 o 0 1492   96.5  ?    ?   1534.5   -5.10179     1199.78    -5.10179     223.292     -5.10179     
1 1 1 7  11 16 o 0 283.8  20.3  ?    ?   650.762  -72.909      508.286    -72.909      92.4712     -72.909      
1 1 1 7  11 17 o 0 230.8  20.1  ?    ?   544.143  72.1129      472.495    72.1129      127.196     72.1129      
1 1 1 7  11 18 o 0 696.5  52.5  ?    ?   1239.73  -4.73205     624.546    -4.73205     99.6449     175.268      
1 1 1 7  11 19 f 1 1106.4 83.1  ?    ?   1075.84  68.9274      1058.36    68.9274      434.53      68.9274      
1 1 1 7  11 20 o 0 494.7  46.1  ?    ?   1173.31  -143.692     437.89     -143.692     238.485     36.3078      
1 1 1 7  11 21 o 0 94.8   8.8   ?    ?   352.152  -127.398     237.127    -127.398     35.9437     -127.398     
1 1 1 7  11 22 o 0 5.4    4.4   ?    ?   161.557  -168.268     58.8026    11.732       150.018     11.732       
1 1 1 7  11 23 o 0 189.4  13.9  ?    ?   546.632  -133.44      345.04     -133.44      39.5628     -133.44      
1 1 1 7  11 24 o 0 1410.1 91.7  ?    ?   1714.43  40.987       852.712    40.987       105.887     -139.013     
1 1 1 7  11 25 o 0 172.7  13.6  ?    ?   471.595  18.5584      364.53     18.5584      87.414      18.5584      
1 1 1 7  11 26 o 0 27.5   6     ?    ?   223.338  133.747      58.344     133.747      72.6272     -46.2527     
1 1 1 7  11 27 o 0 194.4  14.5  ?    ?   654.548  40.0571      298.767    40.0571      80.1163     -139.943     
1 1 1 7  11 28 o 0 63.1   7.5   ?    ?   309.859  -168.333     177.622    -168.333     4.26467     -168.333     
1 1 1 7  11 29 o 0 209.7  16.5  ?    ?   463.363  -119.232     438.508    -119.232     196.634     -119.232     
1 1 1 7  11 30 f 1 21.3   7.4   ?    ?   350.158  -113.149     1.70633    -113.149     177.862     66.851       
1 1 1 7  11 31 o 0 55.3   8.7   ?    ?   343.129  -153.861     152.152    -153.861     15.3672     26.1388      
1 1 1 7  11 32 o 0 59.1   10.6  ?    ?   563.022  -136.923     71.7444    -136.923     194.847     43.0767      
1 1 1 7  11 33 o 0 17.4   7.2   ?    ?   172.825  60.6092      60.5278    60.6092      43.8892     -119.391     
1 1 1 7  11 34 o 0 4.5    6.1   ?    ?   60.2612  18.9676      0.418397   -161.032     36.8935     -161.032     
1 1 1 7  11 35 o 0 -3.1   6.9   ?    ?   125.982  31.803       28.7312    -148.197     103.728     -148.197     
1 1 1 7  11 36 f 1 54.3   8.5   ?    ?   179.338  -141.587     253.582    -141.587     151.429     -141.587     
1 1 1 7  11 37 o 0 26.8   6.6   ?    ?   220.834  62.4868      120.442    62.4868      0.275317    62.4868      
1 1 1 7  11 38 f 1 27     6.6   ?    ?   139.441  78.872       152.163    78.872       78.8956     78.872       
1 1 1 7  11 39 o 0 -0.5   7.1   ?    ?   133.17   -29.4894     1.07122    -29.4894     63.7087     150.511      
1 1 1 7  11 40 f 1 90.8   13.9  ?    ?   302.62   176.07       303.369    176.07       172.981     176.07       
1 1 1 7  12 0  o 0 1.2    2.6   ?    ?   198.538  90           5.35263    90           139.753     -90          
1 1 1 7  12 1  o 0 481.5  33.5  ?    ?   846.113  34.0591      786.74     34.0591      172.216     34.0591      
1 1 1 7  12 2  o 0 159.3  13.4  ?    ?   393.444  -96.279      473.708    -96.279      189.797     -96.279      
1 1 1 7  12 4  o 0 21.2   2.1   ?    ?   127.379  81.265       20.6908    81.265       70.039      -98.735      
1 1 1 7  12 6  f 1 495.5  34.4  ?    ?   818.125  19.0132      803.4      19.0132      229.435     19.0132      
1 1 1 7  12 7  f 1 878    65.5  ?    ?   1172.15  174.238      1012.29    174.238      194.927     174.238      
1 1 1 7  12 8  o 0 56.2   4.6   ?    ?   380.98   -60.2857     132.746    -60.2857     117.434     119.714      
1 1 1 7  12 9  f 1 15.8   1.9   ?    ?   216.289  133.548      19.7774    -46.4516     161.278     -46.4516     
1 1 1 7  12 10 o 0 71.2   5.5   ?    ?   449.613  97.0635      152.625    97.0635      140.588     -82.9365     
1 1 1 7  12 11 f 1 1448.8 100.3 ?    ?   1551.12  -108.458     1171.7     -108.458     168.538     -108.458     
1 1 1 7  12 12 o 0 182    12.3  ?    ?   963.789  -81.9713     137.999    -81.9713     483.291     98.0287      
1 1 1 7  12 13 o 0 59.8   5.6   ?    ?   494.912  -30.4783     84.7774    -30.4783     232.359     149.522      
1 1 1 7  12 14 o 0 406    28.5  ?    ?   990.761  -79.3824     498.948    -79.3824     132.013     100.618      
1 1 1 7  12 15 o 0 290.5  20.7  ?    ?   531.283  51.456       589.017    51.456       249.275     51.456       
1 1 1 7  12 16 o 0 102.3  8.2   ?    ?   379.631  -68.3755     273.741    -68.3755     32.6208     -68.3755     
1 1 1 7  12 17 o 0 34.3   4.1   ?    ?   445.221  141.184      1.82974    -38.8156     262.184     -38.8156     
1 1 1 7  12 18 o 0 341.9  26.4  ?    ?   873.662  -90.2729     422.056    -90.2729     86.505      89.7271      
1 1 1 7  12 19 o 0 876.1  72.1  ?    ?   1299.49  177.872      737.818    177.872      12.4975     -2.12754     
1 1 1 7  12 20 o 0 87.2   10.6  ?    ?   296.878  102.607      236.979    102.607      67.0419     102.607      
1 1 1 7  12 21 o 0 97.5   11.9  ?    ?   611.647  43.2845      120.174    43.2845      225.98      -136.715     
1 1 1 7  12 22 o 0 36.9   5.1   ?    ?   217.368  -78.8318     86.0003    -78.8318     35.8149     101.168      
1 1 1 7  12 23 o 0 231.3  16.7  ?    ?   588.613  80.2649      390.979    80.2649      60.7741     80.2649      
1 1 1 7  12 24 o 0 96.8   9     ?    ?   218.487  -150.277     297.836    -150.277     168.955     -150.277     
1 1 1 7  12 25 o 0 208.8  15.7  ?    ?   673.45   -41.1769     319.463    -41.1769     77.2103     138.823      
1 1 1 7  12 26 o 0 19     5.7   ?    ?   66.8201  -7.08613     15.9912    -7.08613     22.8817     172.914      
1 1 1 7  12 27 o 0 618.4  41.1  ?    ?   839.851  -11.7544     742.548    -11.7544     270.022     -11.7544     
1 1 1 7  12 28 o 0 140.7  11.7  ?    ?   783.979  -42.4485     155.702    -42.4485     256.109     137.551      
1 1 1 7  12 29 o 0 197.8  15.8  ?    ?   699.195  -174.478     300.538    -174.478     61.4518     5.52176      
1 1 1 7  12 30 o 0 22.3   6.6   ?    ?   261.995  -158.676     51.4304    -158.676     77.4569     21.3243      
1 1 1 7  12 31 o 0 14.4   10.2  ?    ?   173.051  66.607       29.7806    66.6069      52.8437     -113.393     
1 1 1 7  12 32 o 0 157    15.4  ?    ?   432.637  -12.3756     343.311    -12.3756     130.777     -12.3756     
1 1 1 7  12 33 o 0 433.6  38.1  ?    ?   791.151  88.7037      650.596    88.7037      176.575     88.7037      
1 1 1 7  12 34 o 0 5.7    6.6   ?    ?   81.4425  -42.0113     4.50889    -42.0113     44.3767     137.989      
1 1 1 7  12 35 o 0 1.8    5.9   ?    ?   50.9817  133.197      4.93559    -46.8027     35.0323     -46.8027     
1 1 1 7  12 36 o 0 18.8   6     ?    ?   102.42   -88.9574     97.3011    -88.9574     39.298      -88.9574     
1 1 1 7  12 37 o 0 10.6   6.2   ?    ?   133.806  -106.226     40.7015    -106.226     31.5047     73.7739      
1 1 1 7  12 38 o 0 18.3   6.9   ?    ?   240.963  109.83       67.5011    109.83       51.3019     -70.1704     
1 1 1 7  12 39 o 0 6.7    7.3   ?    ?   94.3217  40.9005      49.4628    40.9005      8.13504     40.9005      
1 1 1 7  13 0  o 0 14.7   3.5   ?    ?   141.9    -90          43.128     -90          59.7973     90           
1 1 1 7  13 1  o 0 215.5  14.2  ?    ?   506.263  -21.0481     541.42     -21.0481     176.249     -21.0481     
1 1 1 7  13 2  o 0 521.3  39.2  ?    ?   957.574  -102.095     757.104    -102.095     70.4164     -102.095     
1 1 1 7  13 3  o 0 36.7   3.2   ?    ?   430.49   -106.856     23.2611    -106.856     283.608     73.1443      
1 1 1 7  13 4  o 0 63.8   4.9   ?    ?   322.152  77.2816      191.872    77.2816      23.7991     -102.718     
1 1 1 7  13 5  o 0 19.5   2.2   ?    ?   229.935  123.922      1.13006    -56.0779     154.137     -56.0779     
1 1 1 7  13 6  o 0 189.3  13.4  ?    ?   741.058  42.701       299.005    42.701       193.443     -137.299     
1 1 1 7  13 7  o 0 70.9   5.3   ?    ?   324.094  -101.824     215.128    -101.824     1.04052     -101.824     
1 1 1 7  13 8  o 0 38.9   3.2   ?    ?   258.702  -75.3662     102.928    -75.3662     66.9559     104.634      
1 1 1 7  13 9  o 0 7.4    1.9   ?    ?   110.99   -46.0487     38.9259    133.951      111.383     133.951      
1 1 1 7  13 10 o 0 31.3   3.8   ?    ?   128.876  -35.2639     65.0673    -35.2639     18.5711     144.736      
1 1 1 7  13 11 o 0 91.8   7.8   ?    ?   481.711  151.439      200.177    151.439      110.589     -28.5612     
1 1 1 7  13 12 o 0 22.1   3.5   ?    ?   385.882  127.524      37.8794    -52.4756     285.317     -52.4756     
1 1 1 7  13 13 o 0 29     3     ?    ?   170.33   112.74       56.6432    112.74       53.0523     -67.2599     
1 1 1 7  13 14 o 0 45.2   4.3   ?    ?   527.454  145.218      4.03112    145.218      333.469     -34.7819     
1 1 1 7  13 15 o 0 1652.8 114.3 ?    ?   1752.72  170.379      1064.59    170.379      31.556      170.379      
1 1 1 7  13 16 o 0 42.9   4.4   ?    ?   240.89   -121.179     107.87     -121.179     33.1054     58.8213      
1 1 1 7  13 17 o 0 136.1  10.6  ?    ?   456.035  -98.6829     294.827    -98.6829     29.1172     -98.6829     
1 1 1 7  13 18 o 0 132.3  11.1  ?    ?   558.191  -131.854     232.739    -131.854     89.9329     48.1462      
1 1 1 7  13 19 o 0 168.1  16.9  ?    ?   723.473  -110.778     217.15     -110.778     197.578     69.2216      
1 1 1 7  13 20 o 0 599    55.7  ?    ?   1032.06  58.0441      618.061    58.0441      32.9375     58.0441      
1 1 1 7  13 21 o 0 28.2   7     ?    ?   177.971  64.5033      49.7566    64.5033      50.1965     -115.497     
1 1 1 7  13 22 o 0 143.5  12.3  ?    ?   251.881  -12.4457     383.816    -12.4457     242.146     -12.4457     
1 1 1 7  13 23 o 0 27.4   5.2   ?    ?   271.965  -25.3155     37.4656    -25.3155     113.886     154.684      
1 1 1 7  13 24 o 0 1177.1 76.8  ?    ?   1540.39  -116.427     819.636    -116.427     90.9184     63.5731      
1 1 1 7  13 25 o 0 139.6  11.7  ?    ?   508.053  163.116      273.012    163.116      23.764      -16.8835     
1 1 1 7  13 26 o 0 113.5  10.5  ?    ?   251.851  0.720856     338.197    0.720856     195.834     0.720856     
1 1 1 7  13 27 o 0 50.9   6.9   ?    ?   293.689  -163.779     142.975    -163.779     20.8602     16.2213      
1 1 1 7  13 28 o 0 195.1  14.9  ?    ?   555.483  9.50393      369.224    9.50393      79.9409     9.50393      
1 1 1 7  13 29 o 0 26.7   6.5   ?    ?   71.786   55.4307      64.6774    55.4307      29.1317     55.4307      
1 1 1 7  13 30 o 0 42.1   7.9   ?    ?   320.707  -11.0106     121.371    -11.0106     32.8549     168.989      
1 1 1 7  13 31 f 1 31     9     ?    ?   394.405  -120.627     45.3534    -120.627     140.827     59.3728      
1 1 1 7  13 32 o 0 334    30    ?    ?   658.185  33.9162      602.728    33.9162      204.995     33.9162      
1 1 1 7  13 33 o 0 61.7   8.6   ?    ?   193.507  52.8824      278.079    52.8824      160.85      52.8824      
1 1 1 7  13 34 o 0 28.3   7.2   ?    ?   218.858  -145.565     124.025    -145.565     6.46721     34.4348      
1 1 1 7  13 35 o 0 27.9   6.4   ?    ?   175.061  156.268      143.965    156.268      43.7615     156.268      
1 1 1 7  13 36 o 0 66.6   8.7   ?    ?   324.937  -42.3146     229.689    -42.3146     52.3349     -42.3146     
1 1 1 7  13 37 o 0 13.8   6.7   ?    ?   75.1441  -121.837     66.2022    -121.837     26.4664     -121.837     
1 1 1 7  13 38 o 0 11.8   6.7   ?    ?   85.4622  -177.424     62.6214    -177.424     20.859      -177.424     
1 1 1 7  13 39 o 0 -1.2   8     ?    ?   12.8979  -144.284     5.75162    -144.284     0.150329    -144.284     
1 1 1 7  14 0  o 0 2.1    3.4   ?    ?   62.0242  -90          2.36155    -90          39.9906     90           
1 1 1 7  14 1  o 0 233.9  17.9  ?    ?   386.775  -138.19      611.393    -138.19      348.589     -138.19      
1 1 1 7  14 2  o 0 280.7  21.3  ?    ?   425.372  -91.6541     675.551    -91.6541     388.035     -91.6541     
1 1 1 7  14 3  o 0 63.6   5     ?    ?   287.336  -142.919     205.485    -142.919     12.331      -142.919     
1 1 1 7  14 5  o 0 51.3   4.1   ?    ?   582.131  -82.1484     2.90953    -82.1484     383.99      97.8516      
1 1 1 7  14 6  o 0 566.3  42.3  ?    ?   1252.72  81.4962      560.401    81.4962      267.382     -98.5038     
1 1 1 7  14 7  o 0 57.7   4.6   ?    ?   457.543  59.5127      99.4437    59.5127      201.137     -120.487     
1 1 1 7  14 8  f 1 272.4  19.2  ?    ?   424.881  -61.3603     640.076    -61.3603     363.3       -61.3603     
1 1 1 7  14 9  o 0 174.1  13.6  ?    ?   610.374  74.9903      338.244    74.9903      58.0374     -105.01      
1 1 1 7  14 10 o 0 543.5  45    ?    ?   1069.03  -49.1869     636.124    -49.1869     53.7875     130.813      
1 1 1 7  14 11 o 0 54     4.8   ?    ?   644.779  -134.646     27.7198    45.354       445.698     45.354       
1 1 1 7  14 12 o 0 444.6  33.8  ?    ?   862.226  172.815      624.859    172.815      69.4098     172.815      
1 1 1 7  14 13 o 0 217.9  18.8  ?    ?   676.149  -176.61      375.334    -176.61      57.4381     3.39043      
1 1 1 7  14 14 o 0 93.5   8.4   ?    ?   423.107  63.4231      210.64     63.4231      38.8171     -116.577     
1 1 1 7  14 15 o 0 603.7  39.5  ?    ?   1174.51  11.2118      569.373    11.2118      120.37      -168.788     
1 1 1 7  14 16 o 0 139.5  10    ?    ?   578.905  151.301      240.066    151.301      97.4178     -28.6989     
1 1 1 7  14 17 f 1 -0.5   3.6   ?    ?   130.013  -60.6877     64.4665    119.312      139.484     119.312      
1 1 1 7  14 18 o 0 92.3   9.1   ?    ?   441.572  134.668      191.927    134.668      61.4431     -45.332      
1 1 1 7  14 19 o 0 312.7  29.9  ?    ?   671.747  -70.8119     479.684    -70.8119     98.3709     -70.8119     
1 1 1 7  14 20 o 0 337.2  29.8  ?    ?   745.999  63.1205      470.516    63.1205      50.8934     63.1205      
1 1 1 7  14 21 o 0 21.6   5.4   ?    ?   314.649  -143.099     5.86159    36.901       183.174     36.901       
1 1 1 7  14 22 o 0 66.7   7.5   ?    ?   210.623  104.83       198.381    104.83       80.8938     104.83       
1 1 1 7  14 23 o 0 456    33    ?    ?   685.603  -84.7991     665.959    -84.7991     259.559     -84.7991     
1 1 1 7  14 24 o 0 528.2  35.6  ?    ?   745.122  168.309      707.448    168.309      270.77      168.309      
1 1 1 7  14 25 o 0 49.4   7.7   ?    ?   438.793  92.9507      73.7433    92.9507      175.228     -87.0493     
1 1 1 7  14 26 o 0 8.9    5.4   ?    ?   101.611  60.9247      14.9791    -119.075     71.9083     -119.075     
1 1 1 7  14 27 o 0 122.2  11.3  ?    ?   469.021  172.232      270.411    172.232      24.96       172.232      
1 1 1 7  14 28 f 1 457.6  35.3  ?    ?   896.348  147.587      563.168    147.587      118.039     147.587      
1 1 1 7  14 29 o 0 9.3    7.6   ?    ?   149.466  -86.2566     3.33277    93.7434      76.6665     93.7434      
1 1 1 7  14 30 o 0 20.8   8.4   ?    ?   250.82   -11.5844     46.0165    -11.5844     73.4909     168.416      
1 1 1 7  14 31 o 0 62.7   7.6   ?    ?   268.953  -76.4075     251.858    -76.4074     88.1286     -76.4074     
1 1 1 7  14 32 o 0 20.4   9     ?    ?   114.779  159.852      93.3233    159.852      23.2271     159.852      
1 1 1 7  14 33 o 0 155.8  15.7  ?    ?   334.828  -91.2718     457.624    -91.2718     256.237     -91.2718     
1 1 1 7  14 34 o 0 1.8    7.3   ?    ?   79.6002  21.4743      1.90544    21.4743      44.088      -158.526     
1 1 1 7  14 35 o 0 -3.2   6.2   ?    ?   153.082  -95.6227     32.8954    84.3773      117.298     84.3773      
1 1 1 7  14 36 o 0 80.6   9.1   ?    ?   425.703  -12.3768     223.157    -12.3768     4.40053     167.623      
1 1 1 7  14 37 o 0 88.6   9.1   ?    ?   356.377  138.396      286.564    138.396      110.394     138.396      
1 1 1 7  14 38 o 0 12.9   6.6   ?    ?   143.658  -145.724     77.0137    -145.724     13.8568     -145.724     
1 1 1 7  15 0  o 0 1.7    3     ?    ?   87.4616  -90          2.80548    -90          56.3773     90           
1 1 1 7  15 1  o 0 206.5  15.8  ?    ?   863.886  -136.249     261.446    -136.249     320.586     43.7505      
1 1 1 7  15 2  o 0 1621.3 132.5 ?    ?   1735.19  169.997      1202.52    169.997      38.9632     169.997      
1 1 1 7  15 3  o 0 440.5  33.2  ?    ?   1064.25  79.6757      523.284    79.6757      186.795     -100.324     
1 1 1 7  15 4  o 0 148.6  10.7  ?    ?   477.815  -49.0827     363.981    -49.0827     46.8466     -49.0827     
1 1 1 7  15 5  o 0 132    9     ?    ?   464.557  -34.1933     327.978    -34.1933     21.3109     -34.1933     
1 1 1 7  15 6  o 0 137.8  10.1  ?    ?   488.603  -113.818     327.403    -113.818     6.65321     -113.818     
1 1 1 7  15 7  o 0 355.4  23.4  ?    ?   854.857  -115.526     521.437    -115.526     36.5624     64.4742      
1 1 1 7  15 8  o 0 12.6   2     ?    ?   320.063  6.94448      81.7795    -173.056     291.698     -173.056     
1 1 1 7  15 9  f 1 12.5   2.4   ?    ?   393.511  -140.087     114.655    39.9135      370.561     39.9135      
1 1 1 7  15 10 o 0 77.7   6.9   ?    ?   309.526  -0.339723    234.409    -0.339723    33.8193     -0.339723    
1 1 1 7  15 11 o 0 444.1  31.2  ?    ?   656.67   75.9291      749.389    75.9291      326.471     75.9291      
1 1 1 7  15 12 o 0 97.5   8.6   ?    ?   534.37   -74.236      167.054    -74.236      150.054     105.764      
1 1 1 7  15 13 o 0 92     8.3   ?    ?   214.083  -76.3657     276.228    -76.3657     150.027     -76.3657     
1 1 1 7  15 14 o 0 1477.5 121.1 ?    ?   1800.66  -4.49751     904.775    -4.49751     152.619     175.502      
1 1 1 7  15 15 o 0 923.6  69.4  ?    ?   1169.77  94.8179      861.328    94.8179      179.348     94.8179      
1 1 1 7  15 16 o 0 1081.1 88.8  ?    ?   1694.37  179.86       675.565    179.86       304.82      -0.13986     
1 1 1 7  15 17 o 0 107.4  9.7   ?    ?   453.256  16.5448      227.236    16.5448      32.3849     -163.455     
1 1 1 7  15 18 o 0 186.6  16.5  ?    ?   574.839  163.792      330.548    163.792      4.0299      163.792      
1 1 1 7  15 19 o 0 1212.1 91.1  ?    ?   1587.93  15.2052      813.293    15.2052      80.7479     -164.795     
1 1 1 7  15 20 o 0 301.7  24.2  ?    ?   564.796  -114.895     510.992    -114.895     192.316     -114.895     
1 1 1 7  15 21 o 0 237    21.8  ?    ?   540.433  -139.433     447.779    -139.433     126.75      -139.433     
1 1 1 7  15 22 o 0 83.2   8.3   ?    ?   249.928  36.5725      258.442    36.5725      109.996     36.5725      
1 1 1 7  15 23 o 0 49.2   6.9   ?    ?   217.504  -136.444     153.189    -136.444     25.4089     -136.444     
1 1 1 7  15 24 o 0 119    11.5  ?    ?   238.996  97.2005      357.395    97.2005      221.394     97.2005      
1 1 1 7  15 25 f 1 15.2   5.5   ?    ?   37.431   -62.6409     6.02752    -62.6409     14.9612     117.359      
1 1 1 7  15 26 o 0 4.6    5.2   ?    ?   208.603  -159.733     54.7705    20.2669      164.368     20.2669      
1 1 1 7  15 27 o 0 -4.4   6.9   ?    ?   117.208  -59.0243     36.2232    120.976      94.8414     120.976      
1 1 1 7  15 28 o 0 178.3  18.3  ?    ?   678.79   152.092      282.604    152.092      52.1265     -27.9079     
1 1 1 7  15 29 o 0 92.1   10.3  ?    ?   357.944  164.223      253.065    164.223      81.5501     164.223      
1 1 1 7  15 30 o 0 101.1  9.4   ?    ?   448.755  146.517      226.128    146.517      4.61303     146.517      
1 1 1 7  15 31 o 0 24.6   5.8   ?    ?   206.079  96.668       112.692    96.668       14.0333     -83.332      
1 1 1 7  15 32 o 0 18.3   6.4   ?    ?   59.519   -173.495     62.9047    -173.495     26.914      -173.495     
1 1 1 7  15 33 o 0 229.1  20.8  ?    ?   437.752  -99.5844     535.454    -99.5844     274.767     -99.5844     
1 1 1 7  15 34 o 0 12.7   8     ?    ?   237.805  12.3924      17.2727    12.3924      118.767     -167.608     
1 1 1 7  15 35 o 0 4.3    5.9   ?    ?   144.315  -94.456      1.59718    85.544       80.3733     85.544       
1 1 1 7  15 36 o 0 81.8   8.8   ?    ?   315.348  -102.6       278.325    -102.6       111.442     -102.6       
1 1 1 7  15 37 o 0 49.2   8.9   ?    ?   344.112  -62.7813     162.496    -62.7813     5.90771     117.219      
1 1 1 7  16 0  o 0 0.1    3.3   ?    ?   201.773  -90          4.81976    -90          130.375     90           
1 1 1 7  16 1  o 0 195    16.5  ?    ?   505.774  131.288      455.915    131.288      118.321     131.288      
1 1 1 7  16 2  o 0 779.1  64    ?    ?   1262.67  -158.669     799.295    -158.669     39.9475     21.3307      
1 1 1 7  16 3  o 0 279.5  21.4  ?    ?   528.496  118.019      602.137    118.02       252.475     118.02       
1 1 1 7  16 4  o 0 8.7    2.3   ?    ?   101.619  146.027      31.6935    -33.9734     99.3104     -33.9734     
1 1 1 7  16 5  o 0 170.5  12.2  ?    ?   582.796  82.4433      345.364    82.4433      40.4451     -97.5567     
1 1 1 7  16 6  o 0 1507   97.4  ?    ?   1627.83  112.871      1170.08    112.871      98.2043     112.871      
1 1 1 7  16 7  o 0 104.7  8.3   ?    ?   402.418  126.006      277.727    126.006      14.2075     126.006      
1 1 1 7  16 8  o 0 72.7   5.5   ?    ?   309.223  -83.5978     218.738    -83.5978     17.4        -83.5978     
1 1 1 7  16 9  o 0 29.3   3.6   ?    ?   138.015  31.3266      51.0722    31.3266      31.7718     -148.673     
1 1 1 7  16 10 o 0 134.3  10.1  ?    ?   757.638  -169.892     136.902    -169.892     315.115     10.1075      
1 1 1 7  16 11 o 0 518    43.2  ?    ?   880.167  172.796      650.735    172.796      128.911     172.796      
1 1 1 7  16 12 o 0 306.4  25.8  ?    ?   839.989  23.87        395.663    23.87        100.616     -156.13      
1 1 1 7  16 13 o 0 76.3   7.5   ?    ?   359.321  -11.3937     188.085    -11.3937     22.7725     168.606      
1 1 1 7  16 14 o 0 29.6   4.5   ?    ?   280.187  -84.3487     39.4678    -84.3487     123.792     95.6513      
1 1 1 7  16 15 o 0 1651.5 135.1 ?    ?   1630.75  114.822      1087.04    114.822      143.834     114.822      
1 1 1 7  16 16 o 0 98.4   13.1  ?    ?   558.574  -82.0161     151.136    -82.0161     168.748     97.9839      
1 1 1 7  16 17 o 0 55.6   7     ?    ?   149.044  -51.1071     151.083    -51.1071     66.4215     -51.1071     
1 1 1 7  16 18 o 0 77.8   7.8   ?    ?   451.731  -28.2513     146.731    -28.2513     107.675     151.749      
1 1 1 7  16 19 o 0 431.6  33.6  ?    ?   633.522  -55.2345     641.979    -55.2345     284.322     -55.2345     
1 1 1 7  16 20 o 0 114.2  10.3  ?    ?   310.778  -163.016     316.749    -163.016     131.974     -163.016     
1 1 1 7  16 21 o 0 23.8   5.3   ?    ?   73.5315  -106.733     32.5866    -106.733     11.1427     73.2665      
1 1 1 7  16 22 o 0 6.9    4.7   ?    ?   181.138  -57.9488     54.6841    122.051      161.276     122.051      
1 1 1 7  16 23 o 0 97     10.2  ?    ?   466.609  -104.401     202.897    -104.401     63.1794     75.599       
1 1 1 7  16 24 o 0 226.1  18.3  ?    ?   624.033  17.4854      376.186    17.4854      24.4801     17.4854      
1 1 1 7  16 25 o 0 62.7   8.8   ?    ?   329.06   137.117      180.17     137.117      6.76283     137.117      
1 1 1 7  16 26 o 0 20.7   7.1   ?    ?   95.5662  -19.7454     49.924     -19.7454     1.96053     -19.7454     
1 1 1 7  16 27 o 0 19.1   6.1   ?    ?   359.819  166.227      0.825113   -13.7735     178.984     -13.7735     
1 1 1 7  16 28 o 0 88.4   9.8   ?    ?   330.778  83.6578      256.21     83.6578      96.9778     83.6578      
1 1 1 7  16 29 o 0 50.1   7.6   ?    ?   369.705  -15.8819     123.845    -15.8819     59.6008     164.118      
1 1 1 7  16 30 o 0 22.8   6.2   ?    ?   200.123  -172.569     95.9272    -172.569     25.409      7.43144      
1 1 1 7  16 31 o 0 13.2   6     ?    ?   145.542  71.367       46.3796    71.367       42.1949     -108.633     
1 1 1 7  16 32 o 0 39     7.2   ?    ?   225.729  65.267       174.121    65.267       38.746      65.267       
1 1 1 7  16 33 o 0 62.4   8.3   ?    ?   270.809  -125.331     244.742    -125.331     88.6255     -125.331     
1 1 1 7  16 34 o 0 28.6   8.5   ?    ?   125.523  17.2292      157.101    17.2292      88.0083     17.2292      
1 1 1 7  16 35 o 0 0.6    7.7   ?    ?   59.7673  17.2208      7.95813    17.2208      23.9574     -162.779     
1 1 1 7  16 36 o 0 94.8   11.7  ?    ?   393.365  149.527      278.088    149.527      83.7054     149.527      
1 1 1 7  16 37 o 0 16.2   6.9   ?    ?   125.009  61.8016      102.02     61.8016      47.0446     61.8016      
1 1 1 7  17 0  o 0 11.2   3.9   ?    ?   83.0874  -90          16.8104    -90          38.8559     90           
1 1 1 7  17 1  o 0 218.2  16.8  ?    ?   729.353  163.352      359.411    163.352      127.607     -16.6477     
1 1 1 7  17 2  o 0 975.3  80.1  ?    ?   985.354  54.3787      1154.66    54.3787      499.189     54.3787      
1 1 1 7  17 3  o 0 24.1   3.7   ?    ?   177.658  150.596      32.7485    150.596      84.9375     -29.404      
1 1 1 7  17 4  f 1 148.9  11.9  ?    ?   536.044  118.139      322.075    118.139      30.5004     -61.8606     
1 1 1 7  17 5  o 0 369.5  24.3  ?    ?   707.5    104.055      580.184    104.055      149.623     104.055      
1 1 1 7  17 6  o 0 991.6  68.8  ?    ?   1134.09  25.6462      981.037    25.6462      294.39      25.6462      
1 1 1 7  17 7  o 0 98.1   8.1   ?    ?   407.56   109.778      235.293    109.778      10.1486     -70.2221     
1 1 1 7  17 8  o 0 564    42.4  ?    ?   1207.75  115.031      520.259    115.031      203.009     -64.9689     
1 1 1 7  17 9  o 0 71.3   6.1   ?    ?   571.999  126.989      71.1577    126.989      270.436     -53.0105     
1 1 1 7  17 10 o 0 302.4  21.6  ?    ?   737.228  77.2973      450.149    77.2972      12.5505     77.2972      
1 1 1 7  17 11 o 0 955.4  72    ?    ?   981.602  -60.1604     1005.7     -60.1604     426.726     -60.1604     
1 1 1 7  17 12 o 0 43     5.5   ?    ?   363.981  -144.849     70.7212    -144.849     142.551     35.1511      
1 1 1 7  17 13 o 0 59.1   6.7   ?    ?   182.379  -16.5997     169.197    -16.5997     63.067      -16.5997     
1 1 1 7  17 14 o 0 47.3   6.1   ?    ?   469.997  -157.541     41.1893    -157.541     229.76      22.4593      
1 1 1 7  17 15 o 0 231    22.7  ?    ?   539.847  29.3303      427.876    29.3302      119         29.3302      
1 1 1 7  17 16 o 0 81.6   10.2  ?    ?   618.762  30.3622      74.6605    30.3622      276.573     -149.638     
1 1 1 7  17 17 o 0 60.2   9.6   ?    ?   484.615  -152.334     77.217     -152.334     198.734     27.6658      
1 1 1 7  17 18 o 0 67.2   8.1   ?    ?   204.641  147.891      202.669    147.891      87.1569     147.891      
1 1 1 7  17 19 o 0 79.3   10.5  ?    ?   564.325  -124.602     98.1644    -124.602     237.406     55.398       
1 1 1 7  17 20 o 0 525.5  40.5  ?    ?   675.311  35.3443      752.478    35.3443      350.677     35.3443      
1 1 1 7  17 21 o 0 71.8   7.9   ?    ?   330.224  50.9196      191.992    50.9196      2.493       -129.08      
1 1 1 7  17 22 o 0 20.7   4.7   ?    ?   66.2456  148.129      28.9698    148.129      8.85256     -31.8713     
1 1 1 7  17 23 o 0 3.1    6.1   ?    ?   180.352  58.2982      57.7458    -121.702     159.561     -121.702     
1 1 1 7  17 24 o 0 449.8  39.6  ?    ?   1058.61  -112.109     464.198    -112.109     94.8451     67.8908      
1 1 1 7  17 25 f 1 69.1   9.7   ?    ?   282.044  82.8586      224.033    82.8586      82.4765     82.8586      
1 1 1 7  17 26 o 0 13     7.6   ?    ?   27.1336  -96.5553     5.57886    -96.5553     7.8975      83.4447      
1 1 1 7  17 27 f 1 257.8  23.4  ?    ?   371.973  26.7566      550.161    26.7566      370.911     26.7566      
1 1 1 7  17 28 o 0 21.7   6.2   ?    ?   362.062  29.8531      13.5969    29.8531      166.806     -150.147     
1 1 1 7  17 29 o 0 9.2    5.8   ?    ?   81.2967  -57.8965     10.1509    -57.8965     39.3737     122.104      
1 1 1 7  17 30 o 0 59.5   6.9   ?    ?   232.38   -15.2394     257.713    -15.2394     115.537     -15.2394     
1 1 1 7  17 31 o 0 37.8   6.2   ?    ?   155.262  9.42927      198.505    9.42927      104.838     9.42927      
1 1 1 7  17 32 o 0 110.9  10    ?    ?   497.044  122.615      268.42     122.615      19.9949     -57.3853     
1 1 1 7  17 33 o 0 95.6   11.7  ?    ?   426.736  127.826      263.385    127.826      26.8049     127.826      
1 1 1 7  17 34 o 0 35.5   8.5   ?    ?   196.389  -149.469     172.598    -149.469     66.905      -149.469     
1 1 1 7  17 35 o 0 -1     8.3   ?    ?   72.348   -171.337     13.2089    -171.337     22.846      8.663        
1 1 1 7  17 36 o 0 61.3   10    ?    ?   382.805  6.5894       201.245    6.5894       31.3553     6.5894       
1 1 1 7  18 0  o 0 93.1   10.9  ?    ?   446.391  90           260.68     90           13.489      -90          
1 1 1 7  18 1  o 0 165.7  12.1  ?    ?   766.767  -102.899     205.035    -102.899     264.543     77.1009      
1 1 1 7  18 2  o 0 1302.1 97.6  ?    ?   1428.48  41.7819      1052.94    41.7819      181.08      41.7819      
1 1 1 7  18 3  o 0 463.7  35.5  ?    ?   904.966  -3.21576     588.409    -3.21576     38.1777     -3.21576     
1 1 1 7  18 4  o 0 13.7   3.5   ?    ?   124.148  -86.0732     13.8893    93.9268      89.2854     93.9268      
1 1 1 7  18 5  o 0 37.5   4.1   ?    ?   224.869  -115.333     90.1891    -115.333     45.7542     64.6668      
1 1 1 7  18 6  o 0 321.6  24.8  ?    ?   789.98   -36.8254     454.682    -36.8254     20.566      143.175      
1 1 1 7  18 7  o 0 336.7  26    ?    ?   656.783  15.5895      548.959    15.5895      155.889     15.5895      
1 1 1 7  18 8  o 0 125.7  10.7  ?    ?   443.255  -72.8624     283.354    -72.8624     19.5259     -72.8624     
1 1 1 7  18 9  o 0 3.1    2     ?    ?   122.07   -56.4371     58.4817    123.563      130.721     123.563      
1 1 1 7  18 10 o 0 321.6  22.8  ?    ?   588.918  -108.086     554.628    -108.086     208.22      -108.086     
1 1 1 7  18 11 f 1 762    57.6  ?    ?   847.801  1.35457      904.322    1.35457      411.131     1.35457      
1 1 1 7  18 12 o 0 92.2   10.3  ?    ?   375.917  23.0617      226.106    23.0617      8.31295     23.0617      
1 1 1 7  18 13 o 0 6.8    6.1   ?    ?   120.909  175.786      37.0839    -4.21356     106.647     -4.21356     
1 1 1 7  18 14 o 0 205.6  20.8  ?    ?   767.938  11.3086      263.358    11.3086      175.248     -168.691     
1 1 1 7  18 15 o 0 802.3  74.3  ?    ?   831.018  46.1705      910.072    46.1705      433.636     46.1705      
1 1 1 7  18 16 o 0 114.5  15.9  ?    ?   540.214  126.447      195.023    126.447      112.204     -53.553      
1 1 1 7  18 17 o 0 26.4   8.2   ?    ?   154.479  42.8361      50.8293    42.8361      41.7903     -137.164     
1 1 1 7  18 18 o 0 174.1  17.1  ?    ?   532.902  127.172      337.732    127.172      17.7889     127.172      
1 1 1 7  18 19 o 0 67     10    ?    ?   210.345  97.9235      218.095    97.9235      92.9846     97.9235      
1 1 1 7  18 20 o 0 638    49.3  ?    ?   948.799  -65.3528     716.369    -65.3528     168.814     -65.3528     
1 1 1 7  18 21 o 0 62.8   11.7  ?    ?   267.939  -82.7954     194.969    -82.7954     41.9333     -82.7954     
1 1 1 7  18 22 o 0 105.8  12.4  ?    ?   248.322  -116.186     331.889    -116.186     199.085     -116.186     
1 1 1 7  18 23 f 1 42.1   5.7   ?    ?   233.377  64.9887      143.956    64.9887      20.8805     64.9887      
1 1 1 7  18 24 o 0 86.7   9     ?    ?   377.178  -153.928     235.966    -153.928     45.8598     -153.928     
1 1 1 7  18 25 o 0 92.3   9.4   ?    ?   539.275  -148.843     174.262    -148.843     94.1501     31.1574      
1 1 1 7  18 26 o 0 2      8.1   ?    ?   21.7702  46.1745      2.29284    -133.825     12.8384     -133.825     
1 1 1 7  18 27 o 0 2.7    7.1   ?    ?   153.73   168.98       21.9666    -11.0203     98.806      -11.0203     
1 1 1 7  18 28 o 0 180.2  15    ?    ?   545.752  -179.379     413.286    -179.379     79.5958     -179.379     
1 1 1 7  18 29 o 0 63.4   7.1   ?    ?   343.249  26.5048      215.504    26.5048      4.60266     26.5048      
1 1 1 7  18 30 o 0 35.7   6     ?    ?   112.531  -23.4022     195.141    -23.4022     126.925     -23.4022     
1 1 1 7  18 31 o 0 11.7   6     ?    ?   126.342  -59.0581     48.42      -59.0581     25.2886     120.942      
1 1 1 7  18 32 f 1 11.9   6.2   ?    ?   184.506  16.4078      38.4004    16.4078      64.241      -163.592     
1 1 1 7  18 33 o 0 17.6   6.2   ?    ?   144.69   24.8811      95.9522    24.8811      17.5643     24.8811      
1 1 1 7  18 34 f 1 -1.3   6.2   ?    ?   83.9375  107.65       1.28776    107.65       40.7394     -72.3499     
1 1 1 7  18 35 o 0 3.1    7.2   ?    ?   121.527  -42.709      30.8917    -42.709      23.4707     137.291      
1 1 1 7  19 0  o 0 25.7   5.2   ?    ?   304.942  90           106.378    90           79.1843     -90          
1 1 1 7  19 1  o 0 51.6   5.2   ?    ?   357.682  67.1407      110.508    67.1407      106.605     -112.859     
1 1 1 7  19 2  o 0 882.2  61.4  ?    ?   1001.11  -109.353     958.792    -109.353     352.945     -109.353     
1 1 1 7  19 3  o 0 576.1  43.6  ?    ?   1288.58  -57.1749     485.281    -57.1749     291.829     122.825      
1 1 1 7  19 4  o 0 56.9   6     ?    ?   342.777  -34.8673     134.913    -34.8673     71          145.133      
1 1 1 7  19 5  o 0 315.3  26.9  ?    ?   844.723  -66.4027     410.656    -66.4027     94.6081     113.597      
1 1 1 7  19 6  o 0 100.2  9.2   ?    ?   352.299  26.7966      261.586    26.7966      51.8438     26.7966      
1 1 1 7  19 7  o 0 445.1  41.6  ?    ?   753.966  148.792      628.772    148.792      182.143     148.792      
1 1 1 7  19 8  o 0 390.9  30.1  ?    ?   817.407  -70.9481     525.667    -70.9481     45.083      -70.9481     
1 1 1 7  19 9  o 0 13.8   3.1   ?    ?   310.234  -60.332      57.9046    119.668      239.27      119.668      
1 1 1 7  19 10 o 0 7.3    2.3   ?    ?   123.683  -179.759     38.6436    0.240852     110.517     0.240852     
1 1 1 7  19 11 o 0 181.9  18.7  ?    ?   333.409  16.005       442.313    16.005       249.79      16.005       
1 1 1 7  19 12 o 0 149.7  17.6  ?    ?   646.564  -42.5181     222.802    -42.5181     148.065     137.482      
1 1 1 7  19 13 f 1 26.9   7.2   ?    ?   113.168  126.56       45.834     126.56       19.2006     -53.44       
1 1 1 7  19 14 o 0 19.8   7.2   ?    ?   122.191  71.9358      15.8486    71.9358      54.0336     -108.064     
1 1 1 7  19 15 o 0 116.4  15.2  ?    ?   368.848  -173.229     299.627    -173.229     77.0809     -173.229     
1 1 1 7  19 16 o 0 147.7  17.8  ?    ?   663.361  69.1303      211.55     69.1303      189.533     -110.87      
1 1 1 7  19 17 o 0 6      8.6   ?    ?   274.58   -14.8995     79.8106    165.101      244.407     165.101      
1 1 1 7  19 18 o 0 48.8   8.7   ?    ?   326.791  25.8107      116.723    25.8107      77.409      -154.189     
1 1 1 7  19 19 o 0 58.1   9.3   ?    ?   436.27   18.2613      106.217    18.2613      145.335     -161.739     
1 1 1 7  19 20 o 0 286.8  26.6  ?    ?   624.425  -126.922     473.293    -126.922     116.829     -126.922     
1 1 1 7  19 21 o 0 5.9    3.8   ?    ?   79.0142  114.786      17.4071    -65.2138     59.6588     -65.2138     
1 1 1 7  19 22 o 0 58.9   6.3   ?    ?   403.756  33.9559      136.878    33.9559      76.6592     -146.044     
1 1 1 7  19 23 o 0 125.5  10.6  ?    ?   614.182  107.529      219.901    107.529      89.8818     -72.4712     
1 1 1 7  19 24 o 0 184.9  17.8  ?    ?   634.441  -172.367     324.738    -172.367     12.9763     -172.367     
1 1 1 7  19 25 o 0 139.6  15.8  ?    ?   645.956  -89.5506     230.51     -89.5506     82.9058     90.4494      
1 1 1 7  19 26 o 0 14.4   5.4   ?    ?   111.923  5.16718      38.1263    5.16718      17.9361     -174.833     
1 1 1 7  19 27 o 0 75.5   9.3   ?    ?   410.51   -81.6958     221.014    -81.6958     35.7152     98.3042      
1 1 1 7  19 28 o 0 6.7    5.8   ?    ?   211.738  170.231      23.5169    -9.76916     154.028     -9.76916     
1 1 1 7  19 29 o 0 14.9   5.8   ?    ?   239.795  112.811      30.502     112.811      115.404     -67.1889     
1 1 1 7  19 30 o 0 11.1   6.4   ?    ?   119.577  151.636      44.7915    151.636      25.2707     -28.3642     
1 1 1 7  19 31 o 0 35.4   7.5   ?    ?   302.79   75.4718      126.392    75.4718      43.3119     -104.528     
1 1 1 7  19 32 f 1 4.7    5.4   ?    ?   42.8868  169.247      9.68189    169.247      13.6202     -10.7534     
1 1 1 7  19 33 o 0 22.1   6.3   ?    ?   121.378  -84.8581     140.221    -84.8581     78.9185     -84.8581     
1 1 1 7  19 34 o 0 12.4   7.1   ?    ?   152.271  -4.65927     72.6436    -4.65927     4.06988     -4.65927     
1 1 1 7  20 0  o 0 250.7  24.2  ?    ?   468.022  -90          419.103    -90          138.636     -90          
1 1 1 7  20 1  o 0 1013.9 65.9  ?    ?   1336.4   6.98957      864.364    6.98957      65.2169     6.98957      
1 1 1 7  20 2  o 0 447.7  29.7  ?    ?   821.427  -109.845     604.837    -109.845     114.944     -109.845     
1 1 1 7  20 3  o 0 509.1  38.9  ?    ?   1085.73  115.233      522.667    115.233      122.809     -64.7673     
1 1 1 7  20 4  o 0 3.1    4.3   ?    ?   137.703  12.792       59.6485    -167.208     141.218     -167.208     
1 1 1 7  20 5  o 0 129.1  12.3  ?    ?   494.198  43.3536      265.51     43.3536      26.0509     -136.646     
1 1 1 7  20 6  o 0 28.7   5.2   ?    ?   329.321  -162.19      22.8114    -162.19      170.613     17.81        
1 1 1 7  20 7  o 0 1523.4 114.2 ?    ?   1486.91  -103.509     1111.88    -103.509     242.766     -103.509     
1 1 1 7  20 8  o 0 16.6   4     ?    ?   42.9669  100.543      1.81886    100.543      23.1648     -79.4573     
1 1 1 7  20 9  o 0 41.1   5.2   ?    ?   342.331  -70.8111     73.6273    -70.8111     124.318     109.189      
1 1 1 7  20 10 o 0 334.6  26    ?    ?   675.092  -163.075     514.027    -163.075     121.509     -163.075     
1 1 1 7  20 11 o 0 988    91.7  ?    ?   1351.79  -148.01      770.876    -148.01      10.1541     31.9896      
1 1 1 7  20 12 o 0 97.8   14.3  ?    ?   293.74   35.8114      287.32     35.8114      108.077     35.8114      
1 1 1 7  20 13 o 0 7.5    6.9   ?    ?   31.2116  -13.9302     8.07745    166.07       26.9892     166.07       
1 1 1 7  20 14 o 0 92.1   12.2  ?    ?   334.113  120.733      255.04     120.733      52.0198     120.733      
1 1 1 7  20 15 o 0 108.7  16    ?    ?   451.752  -86.8685     237.04     -86.8685     35.3195     93.1315      
1 1 1 7  20 16 o 0 224    30    ?    ?   525.909  39.7382      426.191    39.7382      111.731     39.7382      
1 1 1 7  20 17 o 0 8.2    6.3   ?    ?   128.328  -109.139     22.5051    70.861       97.042      70.861       
1 1 1 7  20 18 o 0 50.9   8.5   ?    ?   293.633  37.5459      146.953    37.5459      22.0452     -142.454     
1 1 1 7  20 19 o 0 80.2   11.2  ?    ?   540.528  63.2142      136.652    63.2142      155.01      -116.786     
1 1 1 7  20 20 o 0 159.1  18    ?    ?   515.859  -62.303      327.911    -62.303      52.3586     -62.303      
1 1 1 7  20 21 o 0 11.4   6.2   ?    ?   125.847  -1.81203     7.94328    -1.81203     56.2265     178.188      
1 1 1 7  20 22 o 0 54.2   7     ?    ?   292.441  -16.2472     174.562    -16.2472     27.0966     -16.2472     
1 1 1 7  20 23 o 0 12.5   4.5   ?    ?   226.235  -24.8315     7.90646    -24.8315     103.285     155.169      
1 1 1 7  20 24 o 0 13.6   4.6   ?    ?   268.069  -87.4235     3.04839    -87.4235     127.101     92.5765      
1 1 1 7  20 25 o 0 105.3  10.4  ?    ?   288.621  30.0563      383.617    30.0563      204.001     30.0563      
1 1 1 7  20 26 o 0 6.4    5.2   ?    ?   103.861  -79.378      1.66214    -79.378      63.3967     100.622      
1 1 1 7  20 27 o 0 17.2   5.8   ?    ?   67.6279  154.268      64.737     154.268      22.9636     154.268      
1 1 1 7  20 28 o 0 107.4  11.5  ?    ?   455.905  164.083      280.998    164.083      2.86094     164.083      
1 1 1 7  20 29 o 0 32.9   6.9   ?    ?   126.839  -72.7697     185.838    -72.7698     111.282     -72.7698     
1 1 1 7  20 30 o 0 9.3    5.3   ?    ?   115.317  -15.5394     35.3689    -15.5394     29.5061     164.461      
1 1 1 7  20 31 o 0 9.4    5.2   ?    ?   89.382   115.477      42.7903    115.477      6.11156     -64.5227     
1 1 1 7  20 32 f 1 37.6   6.6   ?    ?   317.266  41.9857      141.984    41.9857      18.63       -138.014     
1 1 1 7  20 33 o 0 33.1   6.7   ?    ?   180.886  -73.571      188.084    -73.571      106.172     -73.571      
1 1 1 7  21 0  o 0 9.2    5.4   ?    ?   113.613  -90          14.0079    -90          53.1287     90           
1 1 1 7  21 1  f 1 121    9.5   ?    ?   521.218  138.03       233.735    138.03       72.9233     -41.9697     
1 1 1 7  21 2  o 0 181    13    ?    ?   466.443  -62.0875     388.58     -62.0875     114.085     -62.0875     
1 1 1 7  21 3  o 0 178.2  13    ?    ?   531.72   -114.452     348.629    -114.452     36.6134     -114.452     
1 1 1 7  21 4  o 0 48     8.2   ?    ?   353.307  145.648      100.034    145.648      108.978     -34.3519     
1 1 1 7  21 5  o 0 31.5   6     ?    ?   62.5453  15.1961      41.7518    15.1961      4.89155     15.1961      
1 1 1 7  21 6  f 1 576.7  48.3  ?    ?   1072.87  -131.582     584.055    -131.582     43.9291     48.4184      
1 1 1 7  21 7  o 0 262.8  19.6  ?    ?   580.514  -101.48      462.134    -101.48      123.053     -101.48      
1 1 1 7  21 8  o 0 342.8  27    ?    ?   740.955  104.197      488.231    104.197      57.6281     104.197      
1 1 1 7  21 9  f 1 85.3   10.8  ?    ?   221.621  154.097      275.803    154.097      139.966     154.097      
1 1 1 7  21 10 o 0 465.9  33    ?    ?   765.519  141.119      661.694    141.119      194.032     141.119      
1 1 1 7  21 11 o 0 169.3  18.4  ?    ?   380.288  -26.2017     416.381    -26.2017     183.126     -26.2017     
1 1 1 7  21 12 o 0 41.5   8.8   ?    ?   97.2053  132.155      105.164    132.155      45.9372     132.155      
1 1 1 7  21 13 o 0 22.5   7.8   ?    ?   135.477  12.6397      36.6172    12.6397      45.3474     -167.36      
1 1 1 7  21 14 o 0 80.7   10.5  ?    ?   347.442  -68.4135     223.762    -68.4135     19.3184     -68.4135     
1 1 1 7  21 15 o 0 397.2  39.5  ?    ?   709.613  -77.4765     585.875    -77.4765     171.604     -77.4765     
1 1 1 7  21 16 o 0 59.7   10.2  ?    ?   402.654  -129.317     128.313    -129.317     104.807     50.683       
1 1 1 7  21 17 o 0 9.8    6.3   ?    ?   136.987  111.555      8.04651    -68.4448     82.4644     -68.4448     
1 1 1 7  21 18 o 0 14.8   7     ?    ?   40.3147  109.554      9.22884    109.554      12.4707     -70.4457     
1 1 1 7  21 19 o 0 249.8  23.8  ?    ?   693.963  -126.57      393.732    -126.57      23.8148     -126.57      
1 1 1 7  21 20 o 0 651.3  63    ?    ?   914.563  -13.2743     742.282    -13.2743     276.725     -13.2743     
1 1 1 7  21 21 o 0 17.6   6.4   ?    ?   118.151  64.9626      39.8664    64.9626      19.6368     -115.037     
1 1 1 7  21 22 o 0 27.6   6.7   ?    ?   232.817  -53.8406     94.0216    -53.8406     20.3101     126.159      
1 1 1 7  21 23 o 0 -6.9   6.2   ?    ?   113.889  -101.648     37.266     78.3515      95.0912     78.3515      
1 1 1 7  21 24 o 0 32.4   5.6   ?    ?   295.001  -72.4925     114.069    -72.4925     69.533      107.507      
1 1 1 7  21 25 o 0 22.5   5.4   ?    ?   256.736  76.4923      79.2219    76.4923      81.689      -103.508     
1 1 1 7  21 26 o 0 30.7   5.9   ?    ?   180.378  -132.987     160.441    -132.987     48.6581     -132.987     
1 1 1 7  21 27 f 1 20.9   4.8   ?    ?   204.437  -30.3978     94.1176    -30.3978     30.4807     149.602      
1 1 1 7  21 28 o 0 6.6    4.9   ?    ?   207.269  54.771       15.9123    -125.229     138.002     -125.229     
1 1 1 7  21 29 o 0 62.6   8.5   ?    ?   304.993  164.939      234.074    164.939      62.0344     164.939      
1 1 1 7  21 30 o 0 13.9   6.2   ?    ?   98.9551  -50.3952     75.6468    -50.3952     21.3331     -50.3952     
1 1 1 7  21 31 o 0 104.3  9.7   ?    ?   411.756  -156.667     310.185    -156.667     100.406     -156.667     
1 1 1 7  21 32 o 0 4.6    5.6   ?    ?   200.202  -64.3929     8.31016    -64.3929     82.7461     115.607      
1 1 1 7  22 0  o 0 8.4    6.2   ?    ?   77.3523  -90          9.57115    -90          38.863      90           
1 1 1 7  22 1  o 0 118.5  9.6   ?    ?   505.123  103.276      246.155    103.276      69.6626     -76.724      
1 1 1 7  22 2  o 0 26.8   5.2   ?    ?   341.499  49.0834      12.6162    49.0834      200.463     -130.917     
1 1 1 7  22 3  o 0 461.7  36.3  ?    ?   807.384  -102.898     642.63     -102.898     140.157     -102.898     
1 1 1 7  22 4  o 0 51.2   7.6   ?    ?   135.878  151.656      153.188    151.656      68.8856     151.656      
1 1 1 7  22 5  o 0 49.1   8.6   ?    ?   196.246  59.3825      154.889    59.3825      33.5678     59.3825      
1 1 1 7  22 6  o 0 679.8  52    ?    ?   1577.28  123.045      404.509    123.045      576.667     -56.9553     
1 1 1 7  22 7  o 0 771.7  64.6  ?    ?   1272.88  99.1822      673.708    99.1822      114.557     -80.8178     
1 1 1 7  22 8  f 1 41.9   5.9   ?    ?   257.737  67.8301      120.851    67.8301      37.5658     -112.17      
1 1 1 7  22 9  o 0 20.9   4.5   ?    ?   317.416  137.268      6.60517    -42.7324     201.16      -42.7324     
1 1 1 7  22 10 o 0 313.7  24.4  ?    ?   685.575  95.512       493.866    95.512       76.0774     95.512       
1 1 1 7  22 11 o 0 51.7   8.4   ?    ?   342.573  -1.61131     123.023    -1.61131     84.449      178.389      
1 1 1 7  22 12 o 0 275.1  25.1  ?    ?   748.333  -80.8049     402.213    -80.8049     38.9485     99.1951      
1 1 1 7  22 13 o 0 13     6.6   ?    ?   46.3812  64.6943      2.35624    64.6943      24.7945     -115.306     
1 1 1 7  22 14 o 0 272.7  28.7  ?    ?   613.252  -93.9134     464.352    -93.9134     108.04      -93.9134     
1 1 1 7  22 15 f 1 24     7.6   ?    ?   258.132  52.8212      55.8873    52.8212      84.5994     -127.179     
1 1 1 7  22 16 f 1 72.7   10.4  ?    ?   237.578  -7.8837      249.652    -7.8837      121.429     -7.8837      
1 1 1 7  22 17 o 0 7.7    10    ?    ?   82.1387  113.174      1.83321    -66.8255     45.8875     -66.8255     
1 1 1 7  22 18 o 0 71.8   12.9  ?    ?   177.201  60.948       261.619    60.948       170.777     60.948       
1 1 1 7  22 19 o 0 261.1  26.6  ?    ?   841.638  -99.4585     342.385    -99.4585     84.8782     80.5415      
1 1 1 7  22 20 o 0 -1.2   7     ?    ?   234.12   -26.1625     62.0402    153.838      178.044     153.838      
1 1 1 7  22 21 o 0 42.4   7.6   ?    ?   285.694  146.635      137.954    146.635      2.08079     -33.3648     
1 1 1 7  22 22 o 0 47.2   8     ?    ?   307.049  -19.7595     177.42     -19.7595     15.7771     160.241      
1 1 1 7  22 23 o 0 11.9   8.8   ?    ?   130.374  168.663      42.5304    168.663      40.1644     -11.3371     
1 1 1 7  22 24 o 0 62.3   11.7  ?    ?   312.621  -179.647     225.691    -179.647     29.8506     -179.647     
1 1 1 7  22 25 o 0 25.2   4.8   ?    ?   153.388  -168.339     139.808    -168.339     44.7519     -168.339     
1 1 1 7  22 26 o 0 -9     3.9   ?    ?   67.1462  127.067      30.9476    -52.9333     71.1048     -52.9333     
1 1 1 7  22 27 o 0 5      4.2   ?    ?   89.6648  15.0569      0.451091   15.0569      52.4185     -164.943     
1 1 1 7  22 28 o 0 36.3   5.4   ?    ?   318.395  56.5663      127.974    56.5663      51.9028     -123.434     
1 1 1 7  22 29 o 0 36.4   5.6   ?    ?   193.914  171.975      188.175    171.975      81.5189     171.975      
1 1 1 7  22 30 o 0 32.2   6.9   ?    ?   93.2701  -129.175     195.215    -129.175     147.571     -129.175     
1 1 1 7  22 31 o 0 -1.9   7.3   ?    ?   135.25   174.081      11.0663    174.081      50.6464     -5.91914     
1 1 1 7  23 0  o 0 6.9    8.3   ?    ?   173.83   90           19.9468    90           88.3093     -90          
1 1 1 7  23 1  o 0 80.6   8.7   ?    ?   412.198  75.7558      189.496    75.7558      66.9075     -104.244     
1 1 1 7  23 2  o 0 1352.2 94.4  ?    ?   1520.28  162.504      995.52     162.504      51.508      162.504      
1 1 1 7  23 3  f 1 607.7  43.3  ?    ?   1090.64  -10.8604     628.877    -10.8604     45.0454     169.14       
1 1 1 7  23 4  f 1 132.1  15    ?    ?   368.892  -33.7297     344.656    -33.7297     117.36      -33.7297     
1 1 1 7  23 5  f 1 65.3   9.2   ?    ?   386.953  -8.32157     152.294    -8.32157     85.3306     171.678      
1 1 1 7  23 6  f 1 535.9  41.6  ?    ?   784.719  -76.6372     723.735    -76.6372     243.697     -76.6372     
1 1 1 7  23 7  o 0 225    18.6  ?    ?   592.643  70.8779      415.627    70.8779      61.0048     70.8779      
1 1 1 7  23 8  o 0 54.3   6.8   ?    ?   511.661  95.5598      57.117     95.5598      247.584     -84.4402     
1 1 1 7  23 9  o 0 36.9   6     ?    ?   192.308  -123.894     124.341    -123.894     10.4182     -123.894     
1 1 1 7  23 10 o 0 299    23.5  ?    ?   679.64   28.6757      478.452    28.6757      78.1185     28.6757      
1 1 1 7  23 11 o 0 86     9.3   ?    ?   484.461  43.4669      169.055    43.4669      114.566     -136.533     
1 1 1 7  23 12 o 0 17.7   6.7   ?    ?   261.092  91.7136      14.4578    91.7136      129.281     -88.2864     
1 1 1 7  23 13 o 0 -0.1   6.6   ?    ?   178.948  -150.798     57.2196    29.202       155.046     29.202       
1 1 1 7  23 14 o 0 220    24.4  ?    ?   672.857  73.1832      361.45     73.1832      3.64411     -106.817     
1 1 1 7  23 15 o 0 108.1  15.8  ?    ?   693.933  171.19       142.483    171.19       217.912     -8.81027     
1 1 1 7  23 16 o 0 192.5  22.5  ?    ?   567.816  -129.977     373.206    -129.977     80.7768     -129.977     
1 1 1 7  23 17 o 0 13.4   6.4   ?    ?   114.004  -173.409     17.8792    -173.409     40.3148     6.59093      
1 1 1 7  23 18 o 0 75.7   10.6  ?    ?   341.122  -163.732     225.68     -163.732     55.5679     -163.732     
1 1 1 7  23 19 o 0 130.9  14.8  ?    ?   416.093  -100.56      322.1      -100.56      116.636     -100.56      
1 1 1 7  23 20 o 0 -6.8   6.5   ?    ?   208.513  -104.862     86.3577    75.1381      218.657     75.1381      
1 1 1 7  23 21 o 0 7.3    7.4   ?    ?   145.004  173.533      1.88051    -6.46687     92.8876     -6.46687     
1 1 1 7  23 22 o 0 38.9   8.4   ?    ?   242.77   -31.6908     171.777    -31.6908     18.1085     -31.6908     
1 1 1 7  23 23 o 0 72     10.3  ?    ?   311.645  -93.4155     263.911    -93.4155     68.5645     -93.4155     
1 1 1 7  23 24 o 0 62.4   9.8   ?    ?   276.095  178.353      246.241    178.353      75.3314     178.353      
1 1 1 7  23 25 o 0 15.9   6.6   ?    ?   110.098  -122.643     81.3442    -122.643     15.5397     -122.643     
1 1 1 7  23 26 o 0 23.4   4.4   ?    ?   98.9843  -16.6391     142.888    -16.6391     86.1401     -16.6391     
1 1 1 7  23 27 o 0 10     4.3   ?    ?   123.63   163.181      49.0526    163.181      20.0305     -16.8195     
1 1 1 7  23 28 o 0 0.7    4.5   ?    ?   159.555  -160.265     30.0414    19.7347      117.883     19.7347      
1 1 1 7  23 29 o 0 49.2   6.3   ?    ?   380.731  37.049       160.051    37.049       34.7284     -142.951     
1 1 1 7  23 30 o 0 18.4   5.2   ?    ?   108      143.052      134.961    143.052      85.5802     143.052      
1 1 1 7  24 0  o 0 63.7   12.4  ?    ?   218.46   90           195.699    90           64.5694     90           
1 1 1 7  24 1  f 1 47.4   9.6   ?    ?   222.6    -28.3831     163.588    -28.3831     30.4371     -28.3831     
1 1 1 7  24 3  o 0 204.3  18    ?    ?   593.965  2.2192       376.531    2.2192       21.5928     2.2192       
1 1 1 7  24 4  o 0 11.7   6     ?    ?   178.851  -159.331     16.163     20.6687      122.76      20.6687      
1 1 1 7  24 5  f 1 43.6   6.6   ?    ?   109.671  -95.0337     138.107    -95.0337     73.1149     -95.0337     
1 1 1 7  24 6  o 0 408.3  32.2  ?    ?   788.082  -61.4262     568.371    -61.4262     101.852     -61.4262     
1 1 1 7  24 7  o 0 138.9  12.9  ?    ?   448.464  -104.601     319.708    -104.601     55.3342     -104.601     
1 1 1 7  24 8  o 0 28     5.6   ?    ?   306.239  -160.009     61.8388    -160.009     108.258     19.9907      
1 1 1 7  24 9  o 0 25.7   5.1   ?    ?   212.22   -26.2792     79.419     -26.2792     37.8535     153.721      
1 1 1 7  24 10 o 0 96     8.7   ?    ?   351.771  0.0375079    275.603    0.0375079    82.2989     0.0375079    
1 1 1 7  24 11 o 0 241.3  17.6  ?    ?   727.622  -22.1232     376.5      -22.1232     20.925      157.877      
1 1 1 7  24 12 o 0 127.2  16.1  ?    ?   358.181  175.902      349.727    175.902      162.209     175.902      
1 1 1 7  24 13 o 0 16     13.5  ?    ?   6.18804  -104.256     2.7553     -104.256     0.461754    75.7442      
1 1 1 7  24 14 o 0 8.5    12.8  ?    ?   180.997  172.346      4.92007    172.346      88.4775     -7.65372     
1 1 1 7  24 15 o 0 84.9   10.9  ?    ?   360.097  81.4402      246.109    81.4402      64.3176     81.4402      
1 1 1 7  24 16 o 0 182    18.7  ?    ?   571.341  94.1289      354.545    94.1289      68.5273     94.1289      
1 1 1 7  24 17 o 0 2.2    7     ?    ?   95.9649  -111.893     15.5848    68.1069      63.1998     68.1069      
1 1 1 7  24 18 o 0 138.8  16    ?    ?   474.317  113.878      373.766    113.878      71.0751     113.878      
1 1 1 7  24 19 o 0 97.6   12.5  ?    ?   421.435  -135.61      289.846    -135.61      23.5529     -135.61      
1 1 1 7  24 20 o 0 50.8   8.2   ?    ?   307.816  -49.6254     192.59     -49.6254     3.76698     130.375      
1 1 1 7  24 21 o 0 2.9    6.7   ?    ?   111.007  -64.2391     6.60684    115.761      76.8013     115.761      
1 1 1 7  24 22 o 0 12.1   7.3   ?    ?   144.94   137.85       43.1322    137.85       47.4728     -42.1501     
1 1 1 7  24 23 o 0 22.7   7.7   ?    ?   242.531  -157.958     83.7828    -157.958     62.7585     22.0415      
1 1 1 7  24 24 o 0 25.5   8.2   ?    ?   197.249  -169.59      117.633    -169.59      0.0568157   10.4102      
1 1 1 7  24 25 f 1 -0.4   6.7   ?    ?   173.713  32.6853      27.232     -147.315     126.444     -147.315     
1 1 1 7  24 26 o 0 4.1    6.1   ?    ?   92.7308  -36.1343     13.1917    -36.1343     38.5881     143.866      
1 1 1 7  24 27 o 0 105.1  10.9  ?    ?   397.477  164.519      323.059    164.52       116.581     164.52       
1 1 1 7  24 28 o 0 44.2   6     ?    ?   265.939  166.07       210.559    166.07       86.9479     166.07       
1 1 1 7  25 0  o 0 24.8   20.6  ?    ?   252.16   -90          83.0949    -90          57.7163     90           
1 1 1 7  25 1  o 0 84.5   11.5  ?    ?   421.059  -102.965     213.809    -102.965     21.1678     77.0352      
1 1 1 7  25 2  o 0 241.7  19.6  ?    ?   644.555  -58.2635     429.002    -58.2635     69.7483     -58.2635     
1 1 1 7  25 3  o 0 101.7  12.7  ?    ?   436.825  115.973      251.769    115.973      8.74296     115.973      
1 1 1 7  25 4  o 0 6.4    6.1   ?    ?   143.769  85.5183      26.3553    -94.4817     106.149     -94.4817     
1 1 1 7  25 5  o 0 3.7    5.3   ?    ?   94.7064  25.2666      25.6802    -154.733     78.0892     -154.733     
1 1 1 7  25 6  o 0 110.4  11.9  ?    ?   302.229  -38.4232     332.868    -38.4232     166.199     -38.4232     
1 1 1 7  25 7  o 0 217.4  20.5  ?    ?   694.094  -153.203     353.102    -153.203     28.1398     26.7966      
1 1 1 7  25 8  f 1 5.9    5     ?    ?   125.16   -179.671     21.3249    0.328861     87.1815     0.328861     
1 1 1 7  25 9  o 0 7.2    4.7   ?    ?   79.5665  19.0162      8.54658    -160.984     50.3115     -160.984     
1 1 1 7  25 10 o 0 334.4  23.3  ?    ?   805.652  -128.65      485.122    -128.65      64.5456     -128.65      
1 1 1 7  25 11 o 0 1      3.7   ?    ?   227.754  -40.4978     82.9229    139.502      201.109     139.502      
1 1 1 7  25 12 o 0 3.9    6.4   ?    ?   100.755  110.48       14.3003    -69.5198     65.5271     -69.5198     
1 1 1 7  25 13 o 0 18.6   7.6   ?    ?   146.977  69.3685      55.7628    69.3685      18.4472     -110.632     
1 1 1 7  25 14 o 0 14.9   6.2   ?    ?   147.603  162.562      34.618     162.562      39.3563     -17.4384     
1 1 1 7  25 15 o 0 127.3  13.8  ?    ?   456.233  24.8873      291.615    24.8873      54.2942     24.8873      
1 1 1 7  25 16 o 0 166.3  17.4  ?    ?   501.986  34.6797      424.042    34.6797      102.703     34.6797      
1 1 1 7  25 17 o 0 6.3    6.4   ?    ?   50.175   -58.095      6.22467    -58.095      26.2496     121.905      
1 1 1 7  25 18 o 0 33.8   7.4   ?    ?   246.708  71.324       147.967    71.324       10.2089     -108.676     
1 1 1 7  25 19 o 0 32.9   7.7   ?    ?   183.626  39.8086      172.281    39.8086      55.4584     39.8086      
1 1 1 7  25 20 o 0 12.4   7.1   ?    ?   247.5    105.564      6.82906    105.564      148.991     -74.4361     
1 1 1 7  25 21 o 0 -9.6   7.2   ?    ?   70.2271  -55.3497     19.2938    124.65       62.073      124.65       
1 1 1 7  25 22 o 0 96.3   12.6  ?    ?   376.227  114.939      300.156    114.939      73.6049     114.939      
1 1 1 7  25 23 o 0 40.5   8.3   ?    ?   206.512  103.742      199.198    103.742      79.7294     103.742      
1 1 1 7  25 24 o 0 35     8.1   ?    ?   200.602  -123.093     177.904    -123.093     64.6112     -123.093     
1 1 1 7  25 25 o 0 24.1   7.6   ?    ?   286.403  137.879      73.6716    137.879      85.9525     -42.1208     
1 1 1 7  25 26 o 0 2.1    6.4   ?    ?   74.4192  167.153      13.3225    167.153      25.284      -12.8469     
1 1 1 7  25 27 o 0 58.5   8.1   ?    ?   390.129  -173.177     204.132    -173.177     22.9445     -173.177     
1 1 1 7  26 0  o 0 38.9   10.3  ?    ?   219.757  -90          141.679    -90          25.4162     -90          
1 1 1 7  26 1  o 0 44.4   7.9   ?    ?   207.225  36.3304      172.838    36.3304      63.2483     36.3304      
1 1 1 7  26 2  o 0 557.9  44    ?    ?   831.992  84.8565      736.768    84.8565      297.219     84.8565      
1 1 1 7  26 3  o 0 328.9  30.5  ?    ?   752.829  158.075      503.397    158.075      106.308     158.075      
1 1 1 7  26 4  o 0 12.9   6.3   ?    ?   229.851  -22.9182     0.380809   -22.9182     120.592     157.082      
1 1 1 7  26 5  f 1 37.8   7.2   ?    ?   317.132  116.787      109.067    116.787      56.9565     -63.2131     
1 1 1 7  26 6  o 0 19     6.1   ?    ?   85.3788  -24.1677     44.0327    -24.1677     0.632241    155.832      
1 1 1 7  26 7  o 0 25.2   8.8   ?    ?   200.573  -114.949     87.4186    -114.949     15.6576     65.051       
1 1 1 7  26 8  f 1 34.5   6.4   ?    ?   406.102  42.081       62.5744    42.081       144.683     -137.919     
1 1 1 7  26 9  o 0 6.2    4.8   ?    ?   89.482   149.798      9.30815    -30.202      54.8711     -30.202      
1 1 1 7  26 10 o 0 193.8  17.8  ?    ?   719.576  -168.956     309.167    -168.956     55.2638     11.0436      
1 1 1 7  26 11 o 0 206.1  16.9  ?    ?   529.227  -133.797     420.614    -133.797     154.159     -133.797     
1 1 1 7  26 12 f 1 23.9   8.4   ?    ?   327.326  23.5206      34.8331    23.5206      136.039     -156.479     
1 1 1 7  26 13 o 0 0.2    6.2   ?    ?   84.6565  106.678      22.6943    -73.3216     77.3022     -73.3216     
1 1 1 7  26 14 o 0 21.4   6.6   ?    ?   267.33   -84.0405     63.418     -84.0405     107.754     95.9595      
1 1 1 7  26 15 o 0 37.9   7.4   ?    ?   146.212  27.1048      210.212    27.1048      115.46      27.1048      
1 1 1 7  26 16 o 0 9.9    6.1   ?    ?   51.52    131.413      19.212     131.413      13.8959     -48.5873     
1 1 1 7  26 17 o 0 -0.2   6.2   ?    ?   48.4754  -83.4245     7.88871    96.5755      38.8314     96.5755      
1 1 1 7  26 18 o 0 18.9   6.6   ?    ?   150.165  -68.4736     94.4695    -68.4736     0.482855    111.526      
1 1 1 7  26 19 o 0 55.4   10.6  ?    ?   228.196  36.3214      249.567    36.3214      109.81      36.3214      
1 1 1 7  26 20 o 0 -0.8   11    ?    ?   143.951  88.9863      3.54179    88.9863      83.6996     -91.0137     
1 1 1 7  26 21 o 0 9.3    7.7   ?    ?   58.4823  -97.121      32.1128    -97.121      1.97376     82.879       
1 1 1 7  26 22 o 0 -4.9   8     ?    ?   107.688  -179.941     7.68534    0.0591342    69.0265     0.0591342    
1 1 1 7  26 23 o 0 81.7   10.8  ?    ?   405.639  -54.6559     243.862    -54.6559     15.5913     -54.6559     
1 1 1 7  26 24 o 0 77.6   11.8  ?    ?   396.897  24.9723      240.83     24.9723      32.7071     24.9723      
1 1 1 7  26 25 o 0 69.1   10    ?    ?   426.498  134.236      221.566    134.236      21.1236     134.236      
1 1 1 7  27 0  o 0 -2.7   8.5   ?    ?   40.8781  -90          3.15312    -90          17.7727     90           
1 1 1 7  27 1  o 0 26     8.4   ?    ?   230.089  10.773       84.8088    10.773       32.9565     -169.227     
1 1 1 7  27 2  o 0 67.5   11.4  ?    ?   309.855  118.278      218.653    118.278      60.1862     118.278      
1 1 1 7  27 3  o 0 57.1   8.7   ?    ?   274.017  -107.246     200.947    -107.246     61.0034     -107.246     
1 1 1 7  27 4  o 0 16.5   6.2   ?    ?   226.794  -81.5068     32.938     -81.5068     82.6584     98.4932      
1 1 1 7  27 5  f 1 28.5   9     ?    ?   282.554  -86.9474     82.5127    -86.9474     60.7667     93.0526      
1 1 1 7  27 6  o 0 44     9.7   ?    ?   127.23   -76.1975     186.72     -76.1975     119.261     -76.1975     
1 1 1 7  27 7  o 0 18.1   9.2   ?    ?   278.234  108.184      22.36      108.184      124.622     -71.8157     
1 1 1 7  27 8  o 0 5.1    10.2  ?    ?   115.737  113.461      5.94619    113.461      69.6105     -66.5394     
1 1 1 7  27 9  o 0 3.3    5.6   ?    ?   149.517  -174.726     34.4058    5.27402      131.553     5.27402      
1 1 1 7  27 10 o 0 82.1   10    ?    ?   363.31   63.8845      283.355    63.8845      48.5406     63.8845      
1 1 1 7  27 11 o 0 241.1  19.3  ?    ?   590.299  -9.64008     524.338    -9.64008     137.386     -9.64008     
1 1 1 7  27 12 o 0 40.8   5.1   ?    ?   261.399  -100.211     180.821    -100.211     10.5483     -100.211     
1 1 1 7  27 13 o 0 -8.1   6.4   ?    ?   125.933  -70.6304     48.8193    109.37       130.293     109.37       
1 1 1 7  27 14 o 0 70.1   9.4   ?    ?   421.826  -55.6265     200.772    -55.6265     70.7294     124.373      
1 1 1 7  27 15 o 0 46.8   8.1   ?    ?   332.743  167.64       161.909    167.64       50.5781     -12.3596     
1 1 1 7  27 16 o 0 54     8.4   ?    ?   410.749  136.308      151.299    136.308      103.157     -43.692      
1 1 1 7  27 17 o 0 15.1   9     ?    ?   134.552  -19.1356     72.783     -19.1356     9.83135     160.864      
1 1 1 7  27 18 o 0 5.6    6.7   ?    ?   102.8    155.523      17.1002    155.523      43.6998     -24.4772     
1 1 1 7  27 19 o 0 63.5   10.3  ?    ?   442.324  -22.3664     167.637    -22.3664     91.3759     157.634      
1 1 1 7  27 20 o 0 32.1   8.2   ?    ?   217.935  -135.343     157.738    -135.343     32.886      -135.343     
1 1 1 7  27 21 o 0 1.2    7.6   ?    ?   149.336  156.116      2.25292    -23.8837     86.8643     -23.8837     
1 1 1 7  27 22 o 0 11.8   7.3   ?    ?   105.684  -106.822     69.1016    -106.822     13.2444     -106.822     
1 1 1 7  27 23 o 0 49.8   8.8   ?    ?   206.673  -121.398     253.581    -121.398     155.573     -121.398     
1 1 1 7  27 24 o 0 90.3   11.3  ?    ?   416.619  -6.49101     286.685    -6.49101     91.6195     -6.49101     
1 1 1 7  28 0  o 0 8.9    9.1   ?    ?   47.3876  90           13.3003    90           17.5774     -90          
1 1 1 7  28 1  o 0 15.3   8.1   ?    ?   142.766  -121.301     52.2417    -121.301     40.7899     58.6986      
1 1 1 7  28 2  o 0 22.8   6.3   ?    ?   329.884  -90.3422     42.1146    -90.3422     172.726     89.6578      
1 1 1 7  28 3  o 0 29.2   7     ?    ?   220.845  63.5654      134.178    63.5654      9.47956     -116.435     
1 1 1 7  28 4  o 0 15.7   6.3   ?    ?   102.974  -28.6773     71.6855    -28.6773     3.47648     -28.6773     
1 1 1 7  28 5  o 0 -2.7   5.9   ?    ?   102.436  103.147      32.5101    -76.8532     100.202     -76.8532     
1 1 1 7  28 6  o 0 66.8   9.4   ?    ?   147.831  153.348      336.837    153.348      239.436     153.348      
1 1 1 7  28 7  o 0 52.6   8.4   ?    ?   299.075  -138.814     210.592    -138.814     14.2321     -138.814     
1 1 1 7  28 8  o 0 41.3   24    ?    ?   257.896  -178.473     135.594    -178.473     33.0408     1.5269       
1 1 1 7  28 9  o 0 16.1   7.2   ?    ?   139.665  64.1381      71.1947    64.1381      19.7094     -115.862     
1 1 1 7  28 10 o 0 38.1   11.3  ?    ?   275.778  102.675      148.621    102.675      30.3432     -77.3247     
1 1 1 7  28 11 o 0 12.6   5     ?    ?   177.65   80.998       41.8419    80.998       72.7881     -99.002      
1 1 1 7  28 12 o 0 132.7  11.9  ?    ?   503.602  -92.0734     334.874    -92.0734     11.94       -92.0734     
1 1 1 7  28 13 o 0 3.4    7.7   ?    ?   148.469  -125.64      1.37184    54.3599      93.8799     54.3599      
1 1 1 7  28 14 o 0 16     7.2   ?    ?   151.32   -65.7966     78.1975    -65.7966     15.4024     114.203      
1 1 1 7  28 15 o 0 62     8.9   ?    ?   344.041  23.7513      216.879    23.7513      5.7294      23.7513      
1 1 1 7  28 16 o 0 18.9   6.7   ?    ?   164.68   154.614      99.2625    154.614      1.8003      154.614      
1 1 1 7  28 17 f 1 13     6.6   ?    ?   175.707  178.508      51.111     178.508      51.6917     -1.49236     
1 1 1 7  28 18 o 0 44.3   8.1   ?    ?   211.252  -172.509     219.401    -172.509     98.0357     -172.509     
1 1 1 7  28 19 f 1 48.9   9.3   ?    ?   312.253  -157.947     182.343    -157.947     5.19003     -157.947     
1 1 1 7  28 20 o 0 33.5   9.4   ?    ?   206.089  -52.1228     168.523    -52.1228     59.0526     -52.1228     
1 1 1 7  28 21 o 0 18     9.4   ?    ?   96.2561  50.9848      117.612    50.9848      71.6862     50.9848      
1 1 1 7  28 22 o 0 24.1   7.7   ?    ?   113.649  -66.7909     159.48     -66.7909     105.883     -66.7909     
1 1 1 7  29 1  o 0 29.8   10.1  ?    ?   153.723  151.192      158.209    151.192      57.8633     151.192      
1 1 1 7  29 2  o 0 121.9  13.8  ?    ?   367.16   153.292      392.282    153.292      152.7       153.292      
1 1 1 7  29 3  o 0 59.6   8.8   ?    ?   300.778  65.4053      236.42     65.4053      40.3488     65.4053      
1 1 1 7  29 4  o 0 7.9    6     ?    ?   70.4762  41.2196      17.4286    41.2196      28.4398     -138.78      
1 1 1 7  29 5  o 0 15.4   6.1   ?    ?   223.264  112.887      43.8574    112.887      101.131     -67.1126     
1 1 1 7  29 6  o 0 83.5   10.8  ?    ?   382.18   -20.3372     269.849    -20.3372     22.3505     -20.3372     
1 1 1 7  29 7  o 0 56.2   8.8   ?    ?   361.328  -35.6266     185.365    -35.6266     47.843      144.373      
1 1 1 7  29 8  o 0 -20.1  10.2  ?    ?   10.089   -84.4547     2.28304    95.5453      8.62816     95.5453      
1 1 1 7  29 9  o 0 0      8.6   ?    ?   157.47   14.1543      12.3635    -165.846     110.954     -165.846     
1 1 1 7  29 10 f 1 5.9    5.7   ?    ?   98.3662  46.1453      11.6084    46.1453      49.51       -133.855     
1 1 1 7  29 11 o 0 114.6  14.3  ?    ?   561.876  169.066      248.631    169.066      99.4286     -10.9336     
1 1 1 7  29 12 o 0 17.2   4.3   ?    ?   83.6625  53.2989      102.979    53.2989      52.8921     53.2989      
1 1 1 7  29 13 o 0 2.7    8.2   ?    ?   147.9    166.127      3.20918    166.127      84.744      -13.8731     
1 1 1 7  29 14 o 0 10.2   7.6   ?    ?   106.133  -31.0249     45.3593    -31.0249     17.3012     148.975      
1 1 1 7  29 15 o 0 11     7.9   ?    ?   113.502  5.79593      58.0728    5.79593      7.6664      -174.204     
1 1 1 7  29 16 f 1 6.7    7.8   ?    ?   142.593  136.315      25.7273    136.315      55.966      -43.6845     
1 1 1 7  29 17 o 0 1.5    7.5   ?    ?   92.8834  115.431      18.0158    115.431      31.8895     -64.5687     
1 1 1 7  29 18 o 0 3.9    7.4   ?    ?   55.4055  -172.936     21.7827    -172.936     7.70704     7.06418      
1 1 1 7  29 19 f 1 5.8    7.5   ?    ?   71.263   -74.0573     47.2056    -74.0573     13.1856     -74.0573     
1 1 1 7  30 0  o 0 28.2   24.2  ?    ?   15.4078  -90          15.929     -90          6.30077     -90          
1 1 1 7  30 1  o 0 37.7   11.2  ?    ?   308.388  -21.1136     131.566    -21.1136     61.2344     158.886      
1 1 1 7  30 2  f 1 41.7   8.1   ?    ?   198.338  -16.0537     215.53     -16.0537     91.8717     -16.0537     
1 1 1 7  30 3  o 0 95.2   11.1  ?    ?   370.125  -164.643     315.421    -164.643     84.2492     -164.643     
1 1 1 7  30 4  o 0 16     9.6   ?    ?   173.118  100.572      67.9201    100.572      40.0518     -79.428      
1 1 1 7  30 5  o 0 45.1   8.1   ?    ?   283.781  -174.066     185.931    -174.066     9.29932     -174.066     
1 1 1 7  30 6  o 0 23.5   6.6   ?    ?   138.063  20.1829      144.715    20.1829      61.3729     20.1829      
1 1 1 7  30 8  o 0 11.4   5.7   ?    ?   148.623  -87.6        49.3636    -87.6        39.7269     92.4         
1 1 1 7  30 9  o 0 51     22.5  ?    ?   247.352  -81.3248     165.798    -81.3248     18.1714     -81.3248     
1 1 1 7  30 10 o 0 38.7   7.6   ?    ?   169.207  12.8923      218.159    12.8923      118.807     12.8923      
1 1 1 7  30 11 o 0 122.7  12.8  ?    ?   366.608  126.228      390.714    126.228      176.635     126.228      
1 1 1 7  30 12 o 0 40.9   6.1   ?    ?   244.531  160.242      194.714    160.242      52.7835     160.242      
1 1 1 7  30 13 o 0 4.5    11.4  ?    ?   38.2974  25.5042      29.8285    25.5042      8.98889     25.5042      
1 1 1 7  30 14 o 0 16     10.7  ?    ?   144.981  -135.153     86.2707    -135.153     7.94262     -135.153     
1 1 1 7  30 15 o 0 59.2   10.8  ?    ?   387.054  -19.9552     189.464    -19.9552     18.0393     160.045      
1 1 1 7  30 16 o 0 9.4    8.5   ?    ?   166.552  29.5641      55.4027    29.5641      25.0256     -150.436     
1 1 1 7  30 17 o 0 4.6    7.5   ?    ?   34.0308  -42.1244     26.6907    -42.1244     10.4017     -42.1244     
1 1 1 7  31 0  o 0 6.4    8.6   ?    ?   15.6699  90           5.65675    90           3.55061     -90          
1 1 1 7  31 1  o 0 7.6    8.7   ?    ?   130.54   -117.938     39.1446    -117.938     37.6094     62.0623      
1 1 1 7  31 2  o 0 40.6   8.4   ?    ?   286.289  -170.475     169.387    -170.475     1.05476     -170.475     
1 1 1 7  31 3  o 0 18.1   6.9   ?    ?   202.373  156.066      83.2211    156.066      35.6961     -23.9343     
1 1 1 7  31 4  o 0 -4.9   6.5   ?    ?   34.6791  178.917      4.36024    -1.08276     24.7128     -1.08276     
1 1 1 7  31 5  o 0 11     7.8   ?    ?   34.5298  69.932       32.3515    69.932       12.1243     69.932       
1 1 1 7  31 6  o 0 37.3   7.9   ?    ?   169.786  161.576      208.94     161.576      109.727     161.576      
1 1 1 7  31 7  o 0 0.8    7.1   ?    ?   15.7518  -65.4369     2.25249    -65.4369     6.92374     114.563      
1 1 1 7  31 8  o 0 8.6    7     ?    ?   58.5155  108.756      43.5229    108.756      11.47       108.756      
1 1 1 7  31 9  o 0 -7.7   18.4  ?    ?   87.1317  161.953      47.0394    161.953      0.486505    -18.0466     
1 1 1 7  31 10 o 0 -7.1   9.9   ?    ?   149.57   81.1315      3.06057    -98.8685     84.2511     -98.8685     
1 1 1 7  31 11 o 0 58.6   8.6   ?    ?   284.054  71.6671      247.758    71.6671      94.3963     71.6671      
1 1 1 7  31 12 o 0 27.1   5.7   ?    ?   283.795  -104.877     130.901    -104.877     7.43296     75.1234      
1 1 1 7  31 13 o 0 2      3.4   ?    ?   37.6412  15.6915      6.30569    15.6915      11.9228     -164.308     
1 1 1 7  32 0  o 0 7.1    9.4   ?    ?   4.24344  -90          1.81293    -90          0.486691    90           
1 1 1 7  32 1  o 0 48.4   10.7  ?    ?   297.943  157.587      193.403    157.587      31.8037     157.587      
1 1 1 7  32 2  o 0 -0.2   9.2   ?    ?   82.6642  65.2029      21.1507    65.2029      23.6938     -114.797     
1 1 1 7  32 3  o 0 53.2   9.3   ?    ?   315.914  39.8313      209.818    39.8313      38.5148     39.8313      
1 1 1 7  32 4  o 0 1.8    6.6   ?    ?   56.9933  91.2638      12.5567    91.2638      18.3145     -88.7362     
1 1 1 7  32 5  f 1 9.7    6.7   ?    ?   185.112  -15.5317     51.069     -15.5317     39.6094     164.468      
1 1 1 7  32 6  o 0 -5     6.5   ?    ?   161.221  55.4887      11.2214    -124.511     90.2169     -124.511     
1 1 1 7  32 7  o 0 5.5    6.2   ?    ?   155.071  89.3394      32.5576    89.3394      43.203      -90.6606     
1 1 1 7  32 8  o 0 1.1    6.6   ?    ?   86.5062  -153.466     24.9251    -153.466     17.1891     26.5344      
1 1 1 7  32 9  o 0 6.6    5.8   ?    ?   117.582  27.4152      47.4935    27.4152      9.5143      -152.585     
1 1 1 8  0  1  f 1 262    24    ?    ?   319.777  -90          508.476    -90          279.716     -90          
1 1 1 8  0  2  o 0 6.6    1.1   ?    ?   36.7268  180          4.83416    180          21.1522     1.60361e-15  
1 1 1 8  0  3  o 0 288.8  26.5  ?    ?   1029.55  90           521.063    90           198.071     -90          
1 1 1 8  0  4  o 0 164.3  15.3  ?    ?   451.806  -180         388.261    180          76.3797     180          
1 1 1 8  0  5  o 0 1603.9 146.2 ?    ?   2101.33  -90          1190.5     -90          244.873     90           
1 1 1 8  0  6  o 0 21.1   2.4   ?    ?   491.857  0            122.761    0            210.14      180          
1 1 1 8  0  7  o 0 31.2   3.3   ?    ?   340.271  -90          147.605    -90          94.7614     90           
1 1 1 8  0  8  o 0 167.9  15.7  ?    ?   564.699  -180         402.385    180          2.96282     180          
1 1 1 8  0  10 o 0 120.1  11.4  ?    ?   448.87   180          335.248    180          21.5043     180          
1 1 1 8  0  11 o 0 31.9   3.9   ?    ?   340.136  -90          145.949    -90          90.5199     90           
1 1 1 8  0  12 o 0 460.4  48.9  ?    ?   547.879  180          696.174    180          297.618     180          
1 1 1 8  0  13 o 0 11.1   2.9   ?    ?   8.36269  90           1.97228    90           4.0788      -90          
1 1 1 8  0  14 o 0 139.2  15.5  ?    ?   460.252  0            380.115    0            48.9289     0            
1 1 1 8  0  15 o 0 18.5   5     ?    ?   181.926  -90          64.365     -90          65.7766     90           
1 1 1 8  0  16 o 0 165.7  18.6  ?    ?   818.862  3.02393e-15  410.182    0            171.909     -180         
1 1 1 8  0  17 o 0 260.1  28.4  ?    ?   690.85   90           481.946    90           18.9397     90           
1 1 1 8  0  18 o 0 300.2  32.6  ?    ?   392.319  180          513.844    180          252.845     180          
1 1 1 8  0  19 o 0 52.8   8.7   ?    ?   197.017  90           162.943    90           32.915      90           
1 1 1 8  0  20 o 0 10.5   5.1   ?    ?   114.805  5.98711e-15  18.822     0            56.2967     -180         
1 1 1 8  0  21 o 0 183.1  18.2  ?    ?   708.276  90           392.346    90           71.6874     -90          
1 1 1 8  0  22 f 1 462.9  43.3  ?    ?   399.939  180          572.079    180          332.125     180          
1 1 1 8  0  23 o 0 93.6   11.3  ?    ?   552.553  -90          254.121    -90          75.7231     90           
1 1 1 8  0  24 o 0 5.3    6.4   ?    ?   295.77   0            19.9468    0            154.609     180          
1 1 1 8  0  25 o 0 401.6  44.4  ?    ?   1252.54  -90          513.309    -90          216.99      90           
1 1 1 8  0  26 o 0 293.9  42    ?    ?   482.84   0            431.401    0            154.077     0            
1 1 1 8  0  27 o 0 243.5  29    ?    ?   1005.28  90           389.31     90           186.848     -90          
1 1 1 8  0  28 o 0 9.2    8     ?    ?   183.718  0            21.5955    0            82.2004     180          
1 1 1 8  0  29 o 0 -1.3   9.2   ?    ?   302.053  90           18.1782    90           162.39      -90          
1 1 1 8  0  30 o 0 470.9  51.1  ?    ?   918.947  -180         548.062    180          7.33509     180          
1 1 1 8  0  31 o 0 99.2   22.4  ?    ?   521.645  90           242.855    90           52.9749     -90          
1 1 1 8  0  32 o 0 88.4   13.4  ?    ?   262.576  180          227.364    180          88.8253     180          
1 1 1 8  0  33 o 0 10.9   9.4   ?    ?   120.895  90           24.0558    90           36.3832     -90          
1 1 1 8  0  34 o 0 117.4  15.7  ?    ?   287.623  -1.61303e-15 254.51     0            115.349     1.946e-15    
1 1 1 8  0  35 o 0 23.2   10    ?    ?   59.4358  90           32.1973    90           3.996       90           
1 1 1 8  0  36 o 0 13.1   11.5  ?    ?   17.2056  180          6.35468    180          4.03221     1.10582e-14  
1 1 1 8  0  37 o 0 40.6   13.2  ?    ?   311.813  -90          162.287    -90          25.7561     90           
1 1 1 8  0  38 o 0 8.3    9.4   ?    ?   34.0465  180          10.6817    180          9.45413     7.92783e-15  
1 1 1 8  0  39 o 0 14.3   9.3   ?    ?   109.201  -90          53.3886    -90          6.68587     90           
1 1 1 8  0  40 o 0 4.9    9.7   ?    ?   159.267  180          38.1923    180          46.4518     5.76909e-15  
1 1 1 8  0  41 o 0 30.1   12.7  ?    ?   123.55   -90          109.048    -90          48.5411     -90          
1 1 1 8  0  42 o 0 5.8    10.1  ?    ?   1.1453   0            0.507104   0            0.0100491   0            
1 1 1 8  1  1  o 0 155    10.8  ?    ?   765.276  -23.9629     203.055    -23.9629     338.324     156.037      
1 1 1 8  1  2  o 0 81.4   5.7   ?    ?   169.918  32.9535      269.237    32.9535      150.669     32.9535      
1 1 1 8  1  3  o 0 197.7  13.7  ?    ?   548.028  -90.2937     432.39     -90.2937     54.8526     -90.2937     
1 1 1 8  1  4  o 0 39.6   3     ?    ?   251.926  -46.7882     96.6245    -46.7882     74.9292     133.212      
1 1 1 8  1  5  o 0 688.8  44.5  ?    ?   1019.86  -50.546      844.206    -50.546      156.736     -50.546      
1 1 1 8  1  6  o 0 207.4  13.6  ?    ?   686.873  -176.769     355.436    -176.769     103.541     3.23134      
1 1 1 8  1  7  o 0 111.2  7.4   ?    ?   547.069  -35.5874     224.152    -35.5874     160.75      144.413      
1 1 1 8  1  8  f 1 374.6  24.4  ?    ?   921.043  162.536      521.988    162.536      120.222     -17.4639     
1 1 1 8  1  9  o 0 1159.6 75    ?    ?   1334.55  117.698      1121.04    117.698      193.351     117.698      
1 1 1 8  1  12 o 0 230.1  15.2  ?    ?   778.948  -141.498     392.314    -141.498     168.99      38.5024      
1 1 1 8  1  13 o 0 448.4  31.4  ?    ?   574.87   172.216      908.47     172.216      496.207     172.216      
1 1 1 8  1  14 o 0 161.9  13.7  ?    ?   418.896  139.997      460.552    139.997      161.654     139.997      
1 1 1 8  1  15 o 0 18.3   3.3   ?    ?   213.816  37.6205      5.81328    -142.379     157.558     -142.379     
1 1 1 8  1  16 o 0 143.1  14.1  ?    ?   835.649  160.051      142.171    160.051      447.432     -19.949      
1 1 1 8  1  17 o 0 305.7  23.4  ?    ?   1021.19  -102.342     341.579    -102.342     338.03      77.658       
1 1 1 8  1  18 o 0 375.5  28.5  ?    ?   959.016  -58.7106     490.575    -58.7106     143.232     121.289      
1 1 1 8  1  19 o 0 17.7   3.6   ?    ?   132.278  164.214      4.43666    164.214      82.3243     -15.786      
1 1 1 8  1  20 o 0 250.4  19.5  ?    ?   539.515  -23.9108     533.562    -23.9108     182.602     -23.9108     
1 1 1 8  1  21 o 0 154.4  12.6  ?    ?   723.054  43.8683      218.985    43.8683      252.143     -136.132     
1 1 1 8  1  22 o 0 573.1  37.6  ?    ?   830.123  107.003      750.263    107.003      253.487     107.003      
1 1 1 8  1  23 o 0 176.1  13.9  ?    ?   628.429  -76.0861     294.421    -76.0862     78.9125     103.914      
1 1 1 8  1  24 o 0 175.9  14    ?    ?   600.354  -162.118     305.778    -162.118     46.9373     17.8815      
1 1 1 8  1  25 o 0 129.7  12.3  ?    ?   478.213  -49.8702     268.028    -49.8702     9.61967     130.13       
1 1 1 8  1  26 o 0 193.2  21.1  ?    ?   304.955  -30.9163     469.622    -30.9163     295.159     -30.9163     
1 1 1 8  1  27 o 0 298.2  26.9  ?    ?   762.648  178.03       405.781    178.03       29.705      -1.97041     
1 1 1 8  1  28 o 0 414.4  35.5  ?    ?   715.671  0.310479     611.037    0.310479     182.626     0.310479     
1 1 1 8  1  29 o 0 69.7   9.1   ?    ?   217.305  164.461      226.357    164.461      96.8681     164.461      
1 1 1 8  1  30 o 0 734    60.7  ?    ?   1076.57  15.4236      716.284    15.4236      84.699      15.4236      
1 1 1 8  1  31 o 0 125.4  11.8  ?    ?   430.47   -113.756     286.757    -113.756     43.3087     -113.756     
1 1 1 8  1  32 o 0 32.4   8.7   ?    ?   305.509  -176.602     77.3745    -176.602     83.4033     3.39784      
1 1 1 8  1  33 o 0 124.7  12.4  ?    ?   269.55   -40.2434     364.577    -40.2434     230.14      -40.2434     
1 1 1 8  1  34 o 0 355.1  27.2  ?    ?   638.803  54.4894      561.591    54.4894      253.192     54.4894      
1 1 1 8  1  35 o 0 104.1  11.1  ?    ?   520.828  162.631      208.3      162.631      38.3319     -17.3691     
1 1 1 8  1  36 o 0 105.7  12.5  ?    ?   401.375  -176.379     310.708    -176.379     68.8416     -176.379     
1 1 1 8  1  37 o 0 2.4    9.3   ?    ?   31.1768  -90.4891     2.98495    -90.4891     15.7857     89.5109      
1 1 1 8  1  38 o 0 242.3  20    ?    ?   721.197  -146.241     393.799    -146.241     32.0971     33.7585      
1 1 1 8  1  39 o 0 1.1    6.6   ?    ?   43.4448  19.4002      1.08128    19.4002      22.7871     -160.6       
1 1 1 8  1  40 o 0 19.1   7.7   ?    ?   120.351  8.49609      103.09     8.49609      39.2044     8.49609      
1 1 1 8  1  41 o 0 12.2   7.1   ?    ?   177.66   -84.0279     50.6744    -84.0279     36.2414     95.9721      
1 1 1 8  1  42 o 0 79.1   10.6  ?    ?   316.274  129.617      277.378    129.617      140.24      129.617      
1 1 1 8  2  1  o 0 468.8  35    ?    ?   852.18   154.837      705.582    154.837      110.669     154.837      
1 1 1 8  2  3  o 0 181.5  12.6  ?    ?   451.729  111.382      447.632    111.382      140.374     111.382      
1 1 1 8  2  4  o 0 1343.2 92.7  ?    ?   1068.8   -71.6456     1413.34    -71.6456     694.451     -71.6456     
1 1 1 8  2  6  o 0 112.4  7.9   ?    ?   409.245  157.369      307.215    157.369      20.4334     157.369      
1 1 1 8  2  8  o 0 159.9  11.3  ?    ?   655.588  61.0931      280.6      61.0931      172.865     -118.907     
1 1 1 8  2  9  o 0 302.2  22.8  ?    ?   494.932  10.9011      662.824    10.9011      322.257     10.9011      
1 1 1 8  2  10 o 0 103.9  7     ?    ?   499.59   -163.119     224.82     -163.119     117.351     16.8807      
1 1 1 8  2  12 o 0 248.2  16.3  ?    ?   819.08   168.779      399.055    168.779      185.948     -11.2211     
1 1 1 8  2  13 o 0 107.4  8     ?    ?   500.062  35.5416      260.569    35.5416      95.0171     -144.458     
1 1 1 8  2  14 o 0 406.2  33.7  ?    ?   795.225  -16.9514     685.221    -16.9514     122.37      -16.9514     
1 1 1 8  2  15 o 0 30.8   4.5   ?    ?   172.079  -96.561      72.332     -96.561      48.854      83.439       
1 1 1 8  2  16 o 0 180.5  14.2  ?    ?   536.129  46.9047      428.444    46.9047      52.9408     46.9047      
1 1 1 8  2  17 o 0 1241.6 93    ?    ?   1630.12  160.006      971.151    160.006      106.133     -19.9939     
1 1 1 8  2  18 o 0 336.3  23.7  ?    ?   946.534  -161.725     435.268    -161.725     186.135     18.2754      
1 1 1 8  2  19 f 1 79.3   6.4   ?    ?   436.706  8.13443      187.551    8.13443      96.3412     -171.866     
1 1 1 8  2  20 o 0 57.8   5.7   ?    ?   537.05   127.439      54.3426    127.439      292.914     -52.5612     
1 1 1 8  2  21 o 0 169.6  14    ?    ?   520.649  110.28       371.53     110.28       34.225      110.28       
1 1 1 8  2  22 o 0 434.7  30.7  ?    ?   501.409  102.027      763.865    102.027      465.434     102.027      
1 1 1 8  2  23 f 1 177.8  13.7  ?    ?   441.042  -127.473     394.308    -127.473     134.319     -127.473     
1 1 1 8  2  24 o 0 114.4  10.3  ?    ?   556.687  -139.755     194.316    -139.755     131.142     40.2451      
1 1 1 8  2  25 o 0 68.4   8.5   ?    ?   529.118  -179.694     83.4347    -179.694     221.679     0.305725     
1 1 1 8  2  26 o 0 242.8  25.2  ?    ?   645.657  103.295      389.851    103.295      22.1071     103.295      
1 1 1 8  2  27 o 0 555.9  52.2  ?    ?   1028.27  -17.9711     565.703    -17.9711     19.0033     162.029      
1 1 1 8  2  28 f 1 79.6   9.2   ?    ?   262.955  -126.337     241.439    -126.337     85.0577     -126.337     
1 1 1 8  2  29 o 0 9.2    7.6   ?    ?   121.438  110.451      21.5444    -69.5487     93.636      -69.5487     
1 1 1 8  2  30 o 0 637.2  49.2  ?    ?   891.778  50.2242      730.649    50.2242      209.33      50.2242      
1 1 1 8  2  31 o 0 256.5  19.8  ?    ?   624.3    -103.612     424.774    -103.612     72.8904     -103.612     
1 1 1 8  2  32 o 0 50.8   7.6   ?    ?   374.698  -12.5952     121.258    -12.5952     75.3083     167.405      
1 1 1 8  2  33 o 0 65.3   9.2   ?    ?   396.53   -33.5746     164.467    -33.5746     32.7122     146.425      
1 1 1 8  2  34 o 0 40.4   7.4   ?    ?   237.478  -4.25257     144.39     -4.25257     30.0627     -4.25257     
1 1 1 8  2  35 o 0 180.3  17.6  ?    ?   475.712  -40.9582     365.925    -40.9582     130.877     -40.9582     
1 1 1 8  2  36 o 0 33.9   7.7   ?    ?   250.279  103.674      135.426    103.674      15.0175     -76.3262     
1 1 1 8  2  37 o 0 1      7.5   ?    ?   145.764  136.82       21.0984    -43.18       108.655     -43.18       
1 1 1 8  2  38 o 0 22.8   7.8   ?    ?   263.729  -148.776     70.6734    -148.776     81.3537     31.2242      
1 1 1 8  2  39 o 0 67     8.9   ?    ?   482.744  135.091      150.384    135.091      114.297     -44.9091     
1 1 1 8  2  40 o 0 8.5    7.4   ?    ?   205.877  -14.307      13.0456    -14.307      96.0351     165.693      
1 1 1 8  2  41 o 0 19.2   7.2   ?    ?   157.556  30.0099      100.474    30.0099      23.5282     30.0099      
1 1 1 8  2  42 o 0 8.2    7.3   ?    ?   104.93   162.669      55.6619    162.669      10.2369     162.669      
1 1 1 8  3  0  o 0 26.8   3.2   ?    ?   256.701  4.33616e-14  110.886    0            68.5818     -180         
1 1 1 8  3  1  o 0 580.3  43.3  ?    ?   998.384  18.6403      746.728    18.6403      58.0982     18.6403      
1 1 1 8  3  2  o 0 123.8  8.7   ?    ?   397.705  -127.719     336.198    -127.719     65.4289     -127.719     
1 1 1 8  3  3  o 0 174.9  12.2  ?    ?   678.277  -44.3981     293.503    -44.3981     162.773     135.602      
1 1 1 8  3  4  o 0 491.5  34.1  ?    ?   917.119  -128.74      661.958    -128.74      51.5913     -128.74      
1 1 1 8  3  5  o 0 2138.5 147.3 ?    ?   1918.83  104.77       1367       104.77       101.791     104.77       
1 1 1 8  3  6  o 0 199.4  13.9  ?    ?   642.52   -3.94574     380.039    -3.94574     65.8357     176.054      
1 1 1 8  3  7  o 0 60.5   4.5   ?    ?   301.463  54.3484      177.409    54.3484      30.3946     -125.652     
1 1 1 8  3  8  o 0 128.2  9.1   ?    ?   660.755  -79.487      194.987    -79.487      257.901     100.513      
1 1 1 8  3  9  o 0 598.1  44.9  ?    ?   803.665  137.879      882.984    137.879      334.845     137.879      
1 1 1 8  3  11 o 0 51.1   3.8   ?    ?   315.082  32.2262      151.552    32.2262      72.5815     -147.774     
1 1 1 8  3  12 o 0 66.6   5.2   ?    ?   569.089  94.6263      75.9147    94.6263      327.271     -85.3737     
1 1 1 8  3  13 o 0 105.3  7.9   ?    ?   135.872  176.834      351.966    176.834      256.103     176.834      
1 1 1 8  3  14 f 1 299.2  25    ?    ?   644.221  16.0649      602.982    16.0649      151.617     16.0649      
1 1 1 8  3  15 o 0 55.7   5.8   ?    ?   163.622  -156.356     186.783    -156.356     72.3946     -156.356     
1 1 1 8  3  16 o 0 4.9    2.8   ?    ?   124.047  106.03       57.7129    -73.9703     139.225     -73.9703     
1 1 1 8  3  17 f 1 83.1   7.3   ?    ?   584.491  -170.692     117.661    -170.692     264.987     9.30799      
1 1 1 8  3  18 o 0 57.7   5     ?    ?   112.744  104.177      157.412    104.177      83.8823     104.177      
1 1 1 8  3  19 o 0 80.1   7.4   ?    ?   587.514  30.6474      103.913    30.6474      276.573     -149.353     
1 1 1 8  3  20 o 0 143.8  10.3  ?    ?   387.521  -31.6285     384.935    -31.6285     133.247     -31.6285     
1 1 1 8  3  21 o 0 787    54.8  ?    ?   1071.9   88.5079      889.528    88.5079      199.178     88.5079      
1 1 1 8  3  22 o 0 1096.1 76.1  ?    ?   1272.08  -72.3817     962.276    -72.3817     209.436     -72.3817     
1 1 1 8  3  23 o 0 125.1  10.5  ?    ?   302.531  88.7433      339.356    88.7433      161.53      88.7433      
1 1 1 8  3  24 f 1 124.8  11.9  ?    ?   312.34   166.074      331.573    166.074      150.391     166.074      
1 1 1 8  3  25 o 0 221.5  22.7  ?    ?   669.235  103.982      345.005    103.982      38.9683     -76.018      
1 1 1 8  3  26 o 0 82.5   9     ?    ?   578.063  64.5368      98.3075    64.5368      229.35      -115.463     
1 1 1 8  3  27 o 0 707.7  59    ?    ?   1282.3   -21.2308     570.825    -21.2308     154.957     158.769      
1 1 1 8  3  28 o 0 159.2  14.8  ?    ?   497.376  -151.677     326.995    -151.677     31.7531     -151.677     
1 1 1 8  3  29 o 0 442.4  34.9  ?    ?   672.531  46.4606      653.879    46.4606      256.328     46.4606      
1 1 1 8  3  30 o 0 170    13.6  ?    ?   660.25   154.968      261.903    154.968      114.762     -25.0316     
1 1 1 8  3  31 o 0 403.7  27.9  ?    ?   693.286  -105.181     586.796    -105.181     197.552     -105.181     
1 1 1 8  3  32 f 1 59.8   8.8   ?    ?   272.244  -57.6277     191.369    -57.6277     49.4487     -57.6277     
1 1 1 8  3  33 f 1 58.4   9     ?    ?   467.173  -154.074     112.254    -154.074     118.629     25.9257      
1 1 1 8  3  34 o 0 667.9  52.1  ?    ?   1230.97  -128.336     591.125    -128.336     0.528781    -128.336     
1 1 1 8  3  35 o 0 30.4   9.1   ?    ?   415.511  -12.9658     27.3121    -12.9658     177.322     167.034      
1 1 1 8  3  36 o 0 55.2   8.7   ?    ?   318.064  -6.17652     195.772    -6.17652     1.34149     -6.17652     
1 1 1 8  3  37 o 0 43.3   8.9   ?    ?   239.547  168.678      184.237    168.678      40.4585     168.678      
1 1 1 8  3  38 o 0 16.4   9.8   ?    ?   85.9809  -40.0906     72.1317    -40.0906     22.7077     -40.0906     
1 1 1 8  3  39 o 0 10.6   8.3   ?    ?   113.203  176.072      45.2639    176.072      16.6365     -3.92767     
1 1 1 8  3  40 o 0 77.7   9.2   ?    ?   370.614  93.0439      239.378    93.0439      43.516      93.0439      
1 1 1 8  3  41 o 0 -3.6   7     ?    ?   79.8546  103.006      0.152118   103.006      38.752      -76.9942     
1 1 1 8  3  42 o 0 -1.8   6.9   ?    ?   96.5149  -28.4339     14.4768    -28.4339     27.209      151.566      
1 1 1 8  4  1  o 0 357.9  26.8  ?    ?   1031.7   66.6448      409.127    66.6448      295.053     -113.355     
1 1 1 8  4  2  f 1 53.9   3.9   ?    ?   413.358  86.9845      98.3181    86.9845      179.644     -93.0155     
1 1 1 8  4  3  o 0 193.7  13.5  ?    ?   462.776  107.318      458.634    107.318      150.174     107.318      
1 1 1 8  4  5  f 1 615.1  42.7  ?    ?   799.933  -142.224     926.837    -142.224     373.34      -142.224     
1 1 1 8  4  7  o 0 54.6   4.1   ?    ?   294.718  -109.632     154.098    -109.632     47.4917     70.3675      
1 1 1 8  4  8  o 0 558.1  38.7  ?    ?   962.429  23.8701      730.521    23.8701      75.833      23.8701      
1 1 1 8  4  9  o 0 267.4  20.3  ?    ?   595.894  109.086      530.507    109.086      127.093     109.086      
1 1 1 8  4  12 f 1 314.9  22.1  ?    ?   538.628  -100.086     700.457    -100.086     322.553     -100.086     
1 1 1 8  4  13 o 0 1035.4 77.5  ?    ?   1392.56  0.738757     1007.35    0.738757     31.7699     0.738757     
1 1 1 8  4  14 o 0 182.2  15.6  ?    ?   891.153  42.6536      199.734    42.6536      421.901     -137.346     
1 1 1 8  4  15 o 0 62.4   5.6   ?    ?   312.161  38.2717      197.219    38.2717      19.5208     -141.728     
1 1 1 8  4  16 o 0 614.3  50.6  ?    ?   1323.14  51.2408      567.576    51.2408      296.032     -128.759     
1 1 1 8  4  17 o 0 814.9  61.2  ?    ?   1221.01  50.578       844.26     50.578       48.1148     50.578       
1 1 1 8  4  18 o 0 1606.7 103.9 ?    ?   1787.16  -83.491      1136.07    -83.491      21.98       96.509       
1 1 1 8  4  19 o 0 202.3  13.9  ?    ?   721.629  -156.331     328.671    -156.331     135.73      23.6687      
1 1 1 8  4  20 o 0 86     7     ?    ?   504.935  -89.756      163.853    -89.7561     162.081     90.2439      
1 1 1 8  4  21 o 0 1061   79.5  ?    ?   1384.05  -134.674     939.305    -134.674     53.2488     -134.674     
1 1 1 8  4  22 f 1 178.5  16.1  ?    ?   801.398  32.3268      203.805    32.3268      266.501     -147.673     
1 1 1 8  4  23 o 0 797    60.2  ?    ?   1201.08  20.502       736.132    20.502       34.1456     20.502       
1 1 1 8  4  24 o 0 256    20.7  ?    ?   599.469  31.6547      440.904    31.6547      94.1853     31.6547      
1 1 1 8  4  25 o 0 821.1  62    ?    ?   1356.41  43.0328      652.26     43.0328      121.824     -136.967     
1 1 1 8  4  26 o 0 773.2  58.5  ?    ?   1295.64  -119.186     637.407    -119.186     93.1811     60.8136      
1 1 1 8  4  27 o 0 657.8  54.8  ?    ?   969.808  -177.585     693.756    -177.585     147.603     -177.585     
1 1 1 8  4  28 o 0 15     7.3   ?    ?   197.304  42.3895      16.6469    -137.61      133.196     -137.61      
1 1 1 8  4  29 o 0 114.3  11.1  ?    ?   450.989  6.26178      247.163    6.26178      18.1722     -173.738     
1 1 1 8  4  30 o 0 586.9  39.2  ?    ?   873.459  -104.821     699.391    -104.821     203.367     -104.821     
1 1 1 8  4  31 o 0 43.7   7.1   ?    ?   284.958  -169.945     119.898    -169.945     39.385      10.055       
1 1 1 8  4  32 o 0 63.4   8.1   ?    ?   388.228  97.5533      155.054    97.5533      46.9842     -82.4467     
1 1 1 8  4  33 o 0 66.9   8.5   ?    ?   418.48   -152.44      158.909    -152.44      47.5867     27.5599      
1 1 1 8  4  34 o 0 32.4   8.3   ?    ?   290.859  58.6961      93.0377    58.6961      45.9546     -121.304     
1 1 1 8  4  35 o 0 341.4  29.2  ?    ?   722.63   173.464      471.252    173.464      116.735     173.464      
1 1 1 8  4  36 o 0 30.6   6.9   ?    ?   318.726  -165.427     88.442     -165.427     105.67      14.5725      
1 1 1 8  4  37 o 0 41     7.5   ?    ?   266.628  76.6133      162.49     76.6133      3.03045     76.6133      
1 1 1 8  4  38 f 1 10     7.7   ?    ?   145.899  157.207      33.8118    157.207      49.5499     -22.7932     
1 1 1 8  4  39 f 1 79.6   11.2  ?    ?   374.241  -164.121     241.067    -164.121     37.6346     -164.121     
1 1 1 8  4  40 o 0 18.8   7.8   ?    ?   147.67   66.811       94.4243    66.811       16.6342     66.811       
1 1 1 8  4  41 o 0 15.2   7.1   ?    ?   146.036  -151.22      78.2609    -151.22      7.3339      -151.22      
1 1 1 8  5  0  o 0 81.2   8.9   ?    ?   28.7869  -6.04978e-13 45.2543    0            25.5461     4.66726e-13  
1 1 1 8  5  1  o 0 288    21.6  ?    ?   755.951  -101.892     496.628    -101.892     45.8541     78.1075      
1 1 1 8  5  4  o 0 827.8  57.3  ?    ?   1111.36  -164.436     957.656    -164.436     185.177     -164.436     
1 1 1 8  5  5  o 0 1544.3 106.5 ?    ?   1792.16  -56.5698     1106.25    -56.5698     128.884     123.43       
1 1 1 8  5  6  o 0 66.3   4.8   ?    ?   345.715  44.578       180.99     44.578       55.5225     -135.422     
1 1 1 8  5  7  o 0 123.4  8.8   ?    ?   528.742  -75.3933     260.959    -75.3933     98.4807     104.607      
1 1 1 8  5  8  o 0 150.2  10.6  ?    ?   413.918  33.8373      392.356    33.8373      112.51      33.8373      
1 1 1 8  5  9  f 1 139.3  10    ?    ?   353.292  81.5429      394.087    81.5429      156.986     81.5429      
1 1 1 8  5  10 o 0 88.1   6.5   ?    ?   594.172  14.2984      137.783    14.2984      280.924     -165.702     
1 1 1 8  5  11 o 0 22.4   2.4   ?    ?   328.701  28.587       14.2855    -151.413     244.972     -151.413     
1 1 1 8  5  12 o 0 172.5  13.2  ?    ?   632.287  42.299       347.781    42.299       94.1891     -137.701     
1 1 1 8  5  13 o 0 1347.3 100.8 ?    ?   1468.98  -149.417     1217.01    -149.417     194.388     -149.417     
1 1 1 8  5  14 o 0 244.8  20.5  ?    ?   545.847  -122.187     554.496    -122.187     176.149     -122.187     
1 1 1 8  5  15 o 0 29.4   3.5   ?    ?   163.469  9.30653      59.7833    9.30653      46.7778     -170.693     
1 1 1 8  5  16 o 0 64.6   5.7   ?    ?   425.619  -86.7213     141.407    -86.7213     135.913     93.2787      
1 1 1 8  5  17 o 0 821.5  57.2  ?    ?   1221.65  -55.4733     847.933    -55.4733     56.3969     -55.4733     
1 1 1 8  5  18 o 0 518.2  33.9  ?    ?   889.893  37.947       716.773    37.947       143.75      37.947       
1 1 1 8  5  19 o 0 29.3   3.8   ?    ?   236.025  -121.209     56.1694    -121.209     94.7807     58.791       
1 1 1 8  5  20 o 0 31.8   4.8   ?    ?   344.528  44.1486      32.2213    44.1486      188.807     -135.851     
1 1 1 8  5  21 o 0 824    57.4  ?    ?   1298.57  -91.2588     717.764    -91.2588     48.5045     88.7412      
1 1 1 8  5  22 o 0 163.5  12.8  ?    ?   667.22   152.351      244.72     152.351      146.709     -27.6487     
1 1 1 8  5  23 o 0 22.1   5.8   ?    ?   83.5497  178.234      16.0663    178.234      32.4797     -1.76554     
1 1 1 8  5  24 o 0 355.8  30.4  ?    ?   611.708  2.19606      575.876    2.19606      224.11      2.19606      
1 1 1 8  5  25 o 0 45.3   7.9   ?    ?   397.698  25.5004      65.6881    25.5004      159.995     -154.5       
1 1 1 8  5  26 o 0 419.2  30.2  ?    ?   641.224  -87.5217     629.568    -87.5217     269.986     -87.5217     
1 1 1 8  5  27 o 0 316.2  25.7  ?    ?   862.856  179.509      369.545    179.509      113.757     -0.491333    
1 1 1 8  5  28 o 0 72.4   9.3   ?    ?   371.508  41.3642      176.136    41.3642      44.4145     -138.636     
1 1 1 8  5  29 o 0 13.7   7.9   ?    ?   52.6271  -174.041     0.0745392  5.95851      30.8777     5.95851      
1 1 1 8  5  30 o 0 357.3  26.2  ?    ?   593.986  50.5016      584.82     50.5016      249.199     50.5016      
1 1 1 8  5  31 o 0 116.2  10.6  ?    ?   398.531  6.35665      291.414    6.35665      81.5793     6.35665      
1 1 1 8  5  32 o 0 47.5   7.7   ?    ?   261.582  139.037      151.423    139.037      15.9435     139.037      
1 1 1 8  5  33 o 0 76     9.6   ?    ?   471.299  5.57941      159.917    5.57941      71.5589     -174.421     
1 1 1 8  5  34 o 0 30.6   7.7   ?    ?   240.637  129.125      101.524    129.125      12.9469     -50.8748     
1 1 1 8  5  35 o 0 122.8  14.1  ?    ?   479.229  -151.389     314.075    -151.389     23.5932     -151.389     
1 1 1 8  5  36 o 0 2.2    6.7   ?    ?   183.211  51.5532      33.2924    -128.447     144.392     -128.447     
1 1 1 8  5  37 o 0 51.6   8.3   ?    ?   277.105  -43.768      198.894    -43.768      33.8624     -43.768      
1 1 1 8  5  38 f 1 12.5   7.1   ?    ?   189.37   43.1491      36.9169    43.1491      70.8418     -136.851     
1 1 1 8  5  39 o 0 6      7.5   ?    ?   73.0258  112.564      19.5545    112.564      20.0861     -67.4358     
1 1 1 8  5  40 o 0 22.9   7.7   ?    ?   177.762  0.462919     108.338    0.462919     15.0565     0.462919     
1 1 1 8  5  41 o 0 3.4    7.5   ?    ?   124.887  5.0879       33.1253    5.0879       21.7575     -174.912     
1 1 1 8  6  0  f 1 1037.8 109.7 ?    ?   1655.5   180          1007.41    180          181.59      -1.13312e-14 
1 1 1 8  6  1  o 0 85.5   6.6   ?    ?   296.598  -94.9335     279.535    -94.9335     68.3104     -94.9335     
1 1 1 8  6  3  o 0 396.6  27.5  ?    ?   876.625  17.7829      582.446    17.7829      29.0645     -162.217     
1 1 1 8  6  4  o 0 199.3  14    ?    ?   852.965  65.0369      241.916    65.0369      347.682     -114.963     
1 1 1 8  6  5  o 0 111.5  8.1   ?    ?   240.048  -160.431     365.371    -160.431     200.789     -160.431     
1 1 1 8  6  6  o 0 88.9   6.4   ?    ?   341.15   -124.023     260.491    -124.023     28.2618     -124.023     
1 1 1 8  6  7  o 0 31     2.6   ?    ?   530.884  152.236      74.0814    -27.7636     433.207     -27.7636     
1 1 1 8  6  8  o 0 907.9  62.8  ?    ?   1251.99  -151.437     906.641    -151.437     64.3662     -151.437     
1 1 1 8  6  9  o 0 831.8  57.6  ?    ?   987.975  -31.8142     1093.09    -31.8142     397.369     -31.8142     
1 1 1 8  6  10 o 0 70     5.3   ?    ?   402.899  78.5392      185.866    78.5392      96.5805     -101.461     
1 1 1 8  6  11 f 1 75.7   6.7   ?    ?   417.947  -40.7406     198.463    -40.7406     92.5396     139.259      
1 1 1 8  6  12 f 1 289.1  26.8  ?    ?   834.062  99.062       453.574    99.062       124.734     -80.938      
1 1 1 8  6  13 o 0 1235.9 113.1 ?    ?   1089.44  139.972      1360.42    139.972      606.315     139.972      
1 1 1 8  6  14 o 0 215.9  16.6  ?    ?   847.001  -144.103     301.171    -144.103     282.515     35.8973      
1 1 1 8  6  15 o 0 47.2   4.5   ?    ?   253.911  164.485      141.354    164.485      23.9498     -15.5151     
1 1 1 8  6  16 o 0 67.7   5.8   ?    ?   424.648  -174.07      152.287    -174.07      122.743     5.92955      
1 1 1 8  6  17 o 0 1695.7 117.3 ?    ?   1785.03  -106.674     1186.43    -106.674     36.8751     -106.674     
1 1 1 8  6  18 o 0 389.3  27.5  ?    ?   805.516  117.184      590.948    117.184      75.4198     117.184      
1 1 1 8  6  19 o 0 7      4.3   ?    ?   223.949  55.862       86.9528    -124.138     230.818     -124.138     
1 1 1 8  6  20 o 0 127    9.5   ?    ?   561.95   -8.73959     243.235    -8.73959     115.073     171.26       
1 1 1 8  6  21 o 0 289.5  19.6  ?    ?   1083.22  130.649      233.423    130.649      401.874     -49.3513     
1 1 1 8  6  22 o 0 802.4  52.4  ?    ?   1146.07  145.022      773.181    145.022      104.908     145.022      
1 1 1 8  6  23 o 0 134.4  13.3  ?    ?   550.403  -54.0934     240.803    -54.0934     77.0809     125.907      
1 1 1 8  6  24 o 0 217.2  19.2  ?    ?   609.493  -138.826     368.127    -138.826     20.4763     -138.826     
1 1 1 8  6  25 o 0 463.4  35.7  ?    ?   1008.95  -92.1481     487.244    -92.1481     81.9351     87.8519      
1 1 1 8  6  26 o 0 114.8  11.4  ?    ?   411.064  16.1614      258.782    16.1614      26.9665     16.1614      
1 1 1 8  6  27 o 0 407.4  29.7  ?    ?   711.456  -26.1813     600.083    -26.1813     178.826     -26.1813     
1 1 1 8  6  28 o 0 135.8  13.4  ?    ?   512.52   74.267       264.696    74.267       37.8478     -105.733     
1 1 1 8  6  29 o 0 68.8   8.8   ?    ?   339.376  6.17243      176.288    6.17243      21.2482     -173.828     
1 1 1 8  6  30 o 0 639.3  49.4  ?    ?   971.394  -163.257     685.09     -163.257     139.223     -163.257     
1 1 1 8  6  31 o 0 10.6   6.9   ?    ?   103.04   8.63512      0.00924465 8.63512      53.9521     -171.365     
1 1 1 8  6  32 o 0 25.8   7.1   ?    ?   142.111  -64.6599     86.7207    -64.6599     16.0853     -64.6599     
1 1 1 8  6  33 o 0 66.2   9.2   ?    ?   259.795  55.3053      215.821    55.3053      88.8848     55.3053      
1 1 1 8  6  34 o 0 23.7   7.6   ?    ?   209.006  26.9487      76.2605    26.9487      22.6587     -153.051     
1 1 1 8  6  35 o 0 309.7  24.4  ?    ?   658.105  20.846       571.099    20.846       174.177     20.846       
1 1 1 8  6  36 o 0 26.4   8.4   ?    ?   144.865  -91.2509     130.046    -91.2509     42.6278     -91.2509     
1 1 1 8  6  37 o 0 55     7.8   ?    ?   343.68   -47.213      176.823    -47.213      26.8798     132.787      
1 1 1 8  6  38 o 0 15.9   6.9   ?    ?   233.521  -138.207     41.0585    -138.207     91.5437     41.7934      
1 1 1 8  6  39 o 0 9.3    7.4   ?    ?   37.3631  124.061      20.4651    124.061      0.276119    124.061      
1 1 1 8  6  40 o 0 12.8   7.4   ?    ?   126.765  -72.7194     69.8079    -72.7194     7.31132     -72.7194     
1 1 1 8  6  41 o 0 1.2    6.9   ?    ?   63.5091  -155.383     22.7441    -155.383     5.04333     24.6165      
1 1 1 8  7  0  o 0 319.8  34.2  ?    ?   1162.12  180          559.04     180          271.379     -1.72628e-15 
1 1 1 8  7  1  o 0 450.2  33.7  ?    ?   974.363  68.9146      603.091    68.9146      86.1837     -111.085     
1 1 1 8  7  3  o 0 186.3  14.1  ?    ?   516.25   71.0306      428.807    71.0306      70.5249     71.0306      
1 1 1 8  7  4  o 0 123.1  9.6   ?    ?   357.285  -127.996     357.562    -127.996     111.726     -127.996     
1 1 1 8  7  5  o 0 1103.2 76.2  ?    ?   1378.7   174.18       1016.12    174.18       74.8555     174.18       
1 1 1 8  7  7  o 0 58.9   4.1   ?    ?   234.282  101.222      194.194    101.222      39.98       101.222      
1 1 1 8  7  8  o 0 136.7  9.8   ?    ?   615.262  13.8899      270.683    13.8899      162.928     -166.11      
1 1 1 8  7  9  o 0 319.2  24.1  ?    ?   537.759  -15.0788     704.507    -15.0788     327.431     -15.0788     
1 1 1 8  7  10 o 0 46.5   4.5   ?    ?   316.068  161.826      126.678    161.826      93.91       -18.1745     
1 1 1 8  7  11 f 1 15.4   2.7   ?    ?   247.446  -140.338     35.1091    39.6619      206.59      39.6619      
1 1 1 8  7  12 o 0 67.9   6.1   ?    ?   343.186  120.08       204.839    120.08       32.5534     -59.92       
1 1 1 8  7  13 o 0 451.4  37.3  ?    ?   955.735  2.14282      629.611    2.14282      28.5428     -177.857     
1 1 1 8  7  14 o 0 208.9  15    ?    ?   529.642  -154.133     459.52     -154.133     116.506     -154.133     
1 1 1 8  7  15 f 1 11.1   2.8   ?    ?   273.118  -164.462     71.7302    15.5378      248.097     15.5378      
1 1 1 8  7  16 o 0 14.6   3.8   ?    ?   315.743  77.6617      60.838     -102.338     264.164     -102.338     
1 1 1 8  7  17 o 0 68.3   6.1   ?    ?   375.135  -134.319     177.021    -134.319     63.1504     45.6809      
1 1 1 8  7  18 o 0 760.4  52.9  ?    ?   1158.16  -143.859     814.612    -143.859     77.8126     -143.859     
1 1 1 8  7  19 o 0 23.4   3.8   ?    ?   390.439  124.356      34.9957    -55.6436     284.296     -55.6436     
1 1 1 8  7  20 o 0 46.8   5.1   ?    ?   376.206  -133.987     81.5523    -133.987     139.534     46.013       
1 1 1 8  7  21 f 1 740.5  48.4  ?    ?   1203.49  136.757      689.369    136.757      10.3172     -43.2431     
1 1 1 8  7  22 o 0 1029.8 77.5  ?    ?   1353.19  116.518      837.181    116.518      53.0127     116.518      
1 1 1 8  7  23 o 0 66.3   7.5   ?    ?   369.179  -1.48025     149.225    -1.48025     62.6748     178.52       
1 1 1 8  7  24 o 0 99.4   10.4  ?    ?   285.457  -128.798     274.26     -128.798     112.442     -128.798     
1 1 1 8  7  25 o 0 65.7   7.5   ?    ?   228.919  98.0201      189.2      98.0201      60.8544     98.0201      
1 1 1 8  7  26 o 0 338.3  25.4  ?    ?   715.022  -118.015     479.412    -118.015     78.6481     -118.015     
1 1 1 8  7  27 o 0 377.4  29.2  ?    ?   762.152  30.3569      528.627    30.3569      80.0929     30.3569      
1 1 1 8  7  28 o 0 120.2  12.4  ?    ?   300.872  119.153      330.816    119.153      154.279     119.153      
1 1 1 8  7  29 o 0 51.8   8.2   ?    ?   321.194  175.54       136.886    175.54       45.212      -4.45997     
1 1 1 8  7  30 o 0 29.4   7.8   ?    ?   223.227  -154.189     77.2655    -154.189     47.4351     25.8115      
1 1 1 8  7  31 o 0 66.6   8.1   ?    ?   350.959  148.782      181.126    148.782      1.5972      -31.218      
1 1 1 8  7  32 o 0 37.7   7.7   ?    ?   266.519  -121.198     119.935    -121.198     11.7737     58.8023      
1 1 1 8  7  33 o 0 40.2   8.8   ?    ?   206.57   48.3036      149.754    48.3036      50.7885     48.3036      
1 1 1 8  7  34 o 0 64.2   8.9   ?    ?   437.517  -19.2336     135.531    -19.2336     79.8878     160.766      
1 1 1 8  7  35 o 0 67.3   9.8   ?    ?   233.968  52.8075      281.73     52.8075      138.572     52.8075      
1 1 1 8  7  36 o 0 4.9    6.7   ?    ?   19.6121  -2.95562     2.41755    -2.95562     9.37891     177.044      
1 1 1 8  7  37 o 0 21.4   7.6   ?    ?   154.562  115.403      106.908    115.403      17.7676     115.403      
1 1 1 8  7  38 o 0 -1.7   6.2   ?    ?   36.5199  103.583      3.81834    -76.4173     23.8773     -76.4173     
1 1 1 8  7  39 o 0 80.4   9.9   ?    ?   231.087  -116.089     313.825    -116.089     191.011     -116.089     
1 1 1 8  7  40 o 0 33.8   8.7   ?    ?   170.509  177.543      173.53     177.543      89.8954     177.543      
1 1 1 8  7  41 o 0 -5.2   7.7   ?    ?   60.2682  -79.9976     11.2575    -79.9976     14.9799     100.002      
1 1 1 8  8  1  o 0 144.2  12.1  ?    ?   669.837  -49.2083     235.809    -49.2083     235.151     130.792      
1 1 1 8  8  3  o 0 222    15.5  ?    ?   605.274  -137.728     448.153    -137.728     30.01       -137.728     
1 1 1 8  8  4  o 0 62.8   4.4   ?    ?   587.051  -169.329     35.1438    -169.329     367.145     10.6714      
1 1 1 8  8  6  o 0 53.8   4     ?    ?   418.465  -44.0302     113.086    -44.0302     184.279     135.97       
1 1 1 8  8  7  o 0 35.4   2.7   ?    ?   210.221  -28.1124     97.66      -28.1124     50.8003     151.888      
1 1 1 8  8  8  o 0 252    19    ?    ?   669.449  -18.2758     497.395    -18.2758     27.293      -18.2758     
1 1 1 8  8  9  o 0 99.5   7.3   ?    ?   274.277  -117.903     345.566    -117.903     153.969     -117.903     
1 1 1 8  8  11 o 0 20.2   2.5   ?    ?   240.536  109.659      0.781996   109.659      165.628     -70.3414     
1 1 1 8  8  12 o 0 141.9  12.1  ?    ?   403.166  37.2193      403.267    37.2193      125.649     37.2193      
1 1 1 8  8  13 o 0 759    57.1  ?    ?   1003.66  -40.1744     924.338    -40.1744     274.428     -40.1744     
1 1 1 8  8  14 o 0 162.3  12.9  ?    ?   614.806  -33.3755     307.781    -33.3755     90.2093     146.624      
1 1 1 8  8  15 o 0 7.1    2.9   ?    ?   121.302  -54.9812     44.9285    125.019      123.044     125.019      
1 1 1 8  8  16 o 0 33.8   4     ?    ?   531.942  -85.5093     47.1749    94.4907      387.828     94.4907      
1 1 1 8  8  17 o 0 363.7  25.8  ?    ?   861.769  106.204      516.323    106.204      32.2421     -73.7959     
1 1 1 8  8  18 o 0 43.9   5.1   ?    ?   319.739  76.1212      99.8397    76.1212      104.523     -103.879     
1 1 1 8  8  19 o 0 9.5    3.6   ?    ?   169.711  150.757      49.9202    -29.2433     157.628     -29.2433     
1 1 1 8  8  20 o 0 163.3  11.7  ?    ?   486.382  -177.598     339.826    -177.598     55.751      -177.598     
1 1 1 8  8  21 o 0 972.4  73.1  ?    ?   1277.62  105.664      837.118    105.664      94.8057     105.664      
1 1 1 8  8  22 o 0 15.9   5.2   ?    ?   273.865  -13.5183     34.5416    166.482      192.243     166.482      
1 1 1 8  8  23 o 0 95.5   9.3   ?    ?   552.927  138.204      146.521    138.204      168.145     -41.7959     
1 1 1 8  8  24 o 0 80.9   8     ?    ?   415.499  120.993      172.228    120.993      61.8003     -59.0068     
1 1 1 8  8  25 o 0 380.7  27.6  ?    ?   803.005  115.963      490.088    115.963      37.6062     115.963      
1 1 1 8  8  26 o 0 340.4  25.2  ?    ?   722.439  31.0151      474.959    31.0151      72.6377     31.0151      
1 1 1 8  8  27 o 0 36.9   7.7   ?    ?   283.679  -93.0965     85.3805    -93.0965     82.2103     86.9035      
1 1 1 8  8  28 o 0 231.5  20.1  ?    ?   595.41   -91.4944     396.157    -91.4944     49.0299     -91.4944     
1 1 1 8  8  29 o 0 231.4  18.5  ?    ?   548.766  -161.223     424.628    -161.223     115.487     -161.223     
1 1 1 8  8  30 f 1 848.5  60    ?    ?   1467.03  48.8873      629.923    48.8873      138.945     -131.113     
1 1 1 8  8  31 o 0 15     7.9   ?    ?   26.1453  171.512      5.99405    171.512      7.5328      -8.48817     
1 1 1 8  8  32 o 0 28.6   7.2   ?    ?   167.088  -145.216     99.4569    -145.216     17.3989     -145.216     
1 1 1 8  8  33 o 0 7.6    6.7   ?    ?   148.226  -157.253     6.20104    22.7472      76.7767     22.7472      
1 1 1 8  8  34 o 0 135.6  12.8  ?    ?   361.79   -125.485     414.074    -125.485     194.357     -125.485     
1 1 1 8  8  35 o 0 127.1  12.5  ?    ?   344.969  -75.1887     394.145    -75.1887     184.344     -75.1887     
1 1 1 8  8  36 o 0 16.3   6.5   ?    ?   145.839  52.8269      72.044     52.8269      15.1517     -127.173     
1 1 1 8  8  37 o 0 10.2   6.5   ?    ?   137.387  -179.28      35.1877    -179.28      43.5787     0.719636     
1 1 1 8  8  38 o 0 20     7.4   ?    ?   202.453  -126.254     83.0566    -126.254     27.4933     53.7462      
1 1 1 8  8  39 o 0 98     10.8  ?    ?   450.566  57.9207      252.896    57.9207      14.819      57.9207      
1 1 1 8  8  40 f 1 16.7   8.3   ?    ?   324.43   77.0204      14.5646    77.0204      143.255     -102.98      
1 1 1 8  9  0  o 0 330.5  35.3  ?    ?   498.733  -1.79815e-14 602.526    0            232.811     2.85554e-14  
1 1 1 8  9  1  o 0 235.3  17.8  ?    ?   591.73   -30.5012     538.218    -30.5012     103.156     -30.5012     
1 1 1 8  9  3  o 0 233.5  16.3  ?    ?   645.188  -98.3798     491.019    -98.3798     24.2439     -98.3798     
1 1 1 8  9  4  o 0 41.2   3.1   ?    ?   482.742  -5.44785     16.9388    -5.44785     329.673     174.552      
1 1 1 8  9  5  o 0 74     5.5   ?    ?   461.332  140.227      171.08     140.227      157.809     -39.7729     
1 1 1 8  9  8  o 0 351.7  26.5  ?    ?   883.732  162.213      533.601    162.213      84.8515     -17.7872     
1 1 1 8  9  9  o 0 40.7   3.3   ?    ?   204.104  -91.9044     123.669    -91.9044     18.3984     88.0956      
1 1 1 8  9  10 o 0 70.6   5.7   ?    ?   624.187  6.27943      55.0853    6.27943      377.15      -173.721     
1 1 1 8  9  11 o 0 6.1    2     ?    ?   197.496  128.84       86.979     -51.16       223.057     -51.16       
1 1 1 8  9  12 o 0 86.7   7.2   ?    ?   636.338  23.2554      97.5472    23.2554      314.667     -156.745     
1 1 1 8  9  13 o 0 425.7  29.9  ?    ?   906.067  -10.7859     586.227    -10.7859     0.469238    169.214      
1 1 1 8  9  14 o 0 473    33.1  ?    ?   919.324  -31.0225     639.212    -31.0225     47.0348     -31.0225     
1 1 1 8  9  15 o 0 20.9   3.3   ?    ?   278.962  39.4877      3.70419    -140.512     182.412     -140.512     
1 1 1 8  9  16 o 0 42.7   4.9   ?    ?   227.524  -152.925     122.855    -152.925     22.0525     27.0748      
1 1 1 8  9  17 o 0 1150.2 79.8  ?    ?   1426.48  -117.103     988.698    -117.103     76.2369     -117.103     
1 1 1 8  9  18 o 0 1398.2 96.9  ?    ?   1619.08  -21.0026     1053.13    -21.0026     24.4028     -21.0026     
1 1 1 8  9  19 o 0 54.5   5.3   ?    ?   447.703  20.9408      77.596     20.9408      184.292     -159.059     
1 1 1 8  9  20 o 0 457.1  32.3  ?    ?   881.071  -53.8209     566.357    -53.8209     53.4113     -53.8209     
1 1 1 8  9  21 o 0 513.8  42.8  ?    ?   919.737  46.9191      603.496    46.9191      72.5276     46.9191      
1 1 1 8  9  22 o 0 206.7  16.8  ?    ?   358.251  -128.118     470.683    -128.118     265.727     -128.118     
1 1 1 8  9  23 o 0 27.5   5.6   ?    ?   543.51   13.3961      78.482     -166.604     385.755     -166.604     
1 1 1 8  9  24 f 1 46.1   6.2   ?    ?   316.613  101.684      99.8901    101.684      76.8005     -78.3158     
1 1 1 8  9  25 o 0 330.4  22.9  ?    ?   942.636  28.936       346.669    28.936       180.937     -151.064     
1 1 1 8  9  26 o 0 626.8  44.6  ?    ?   955.778  104.652      703.69     104.652      141.588     104.652      
1 1 1 8  9  27 o 0 517.5  37.2  ?    ?   970.267  -139.255     568.142    -139.255     1.1996      40.7449      
1 1 1 8  9  28 f 1 10     7.7   ?    ?   179.566  21.9869      22.0717    -158.013     123.697     -158.013     
1 1 1 8  9  29 o 0 296.7  27.7  ?    ?   586.838  -44.6705     497.522    -44.6705     169.167     -44.6705     
1 1 1 8  9  30 o 0 110.5  11.5  ?    ?   567.039  -11.8744     195.964    -11.8744     99.9761     168.126      
1 1 1 8  9  31 o 0 277.9  24    ?    ?   574.088  67.1981      491.912    67.1981      207.283     67.1981      
1 1 1 8  9  32 o 0 39.8   7.5   ?    ?   252.184  17.5783      137.414    17.5783      16.0999     17.5783      
1 1 1 8  9  33 f 1 6.8    7.7   ?    ?   43.654   -158.584     0.509008   -158.584     20.0847     21.4165      
1 1 1 8  9  34 o 0 48.3   7.6   ?    ?   382.472  -137.992     135.646    -137.992     95.0938     42.0083      
1 1 1 8  9  35 o 0 52.2   7.4   ?    ?   174.057  -141.959     249.874    -141.959     144.713     -141.959     
1 1 1 8  9  36 o 0 24.3   6.5   ?    ?   126.321  61.251       130.247    61.251       55.2135     61.251       
1 1 1 8  9  37 f 1 34.7   7.4   ?    ?   87.7983  -147.535     182.967    -147.535     133.085     -147.535     
1 1 1 8  9  38 o 0 12.9   7.3   ?    ?   228.953  -48.2755     25.6419    -48.2755     98.5766     131.725      
1 1 1 8  9  39 o 0 10.2   7.5   ?    ?   178.12   -97.3443     40.7581    -97.3443     47.5        82.6557      
1 1 1 8  9  40 o 0 84.9   11    ?    ?   454.653  94.2883      239.294    94.2883      39.1724     94.2883      
1 1 1 8  10 0  o 0 93.8   10.5  ?    ?   288.779  180          306.608    180          93.9832     -180         
1 1 1 8  10 1  o 0 160.4  11.4  ?    ?   747.331  137.143      255.204    137.143      291.006     -42.8573     
1 1 1 8  10 3  o 0 49.1   4.5   ?    ?   223.76   148.375      168.506    148.375      7.35889     148.375      
1 1 1 8  10 4  o 0 504.8  37.9  ?    ?   888.477  173.561      776.407    173.561      141.07      173.561      
1 1 1 8  10 5  o 0 171    12.1  ?    ?   619.526  -36.7808     358.409    -36.7808     81.6095     143.219      
1 1 1 8  10 8  o 0 39.2   3.2   ?    ?   363.53   147.889      69.9826    147.889      183.528     -32.1114     
1 1 1 8  10 9  o 0 418    31.5  ?    ?   475.38   48.3567      894.973    48.3567      565.292     48.3567      
1 1 1 8  10 10 o 0 142.7  12.2  ?    ?   408.7    22.9475      380.929    22.9475      114.55      22.9475      
1 1 1 8  10 11 o 0 24.9   2.7   ?    ?   325.722  -52.9335     4.93078    -52.9335     207.233     127.066      
1 1 1 8  10 12 o 0 277.1  19.5  ?    ?   703.727  76.9451      481.426    76.9451      25.4479     76.9451      
1 1 1 8  10 13 o 0 229.5  15.3  ?    ?   469.358  -24.8763     529.047    -24.8763     226.549     -24.8763     
1 1 1 8  10 14 o 0 108.9  9.2   ?    ?   272.797  -102.717     344.934    -102.717     170.087     -102.717     
1 1 1 8  10 15 o 0 22.9   3.8   ?    ?   73.4122  3.85471      19.6935    3.85471      27.0885     -176.145     
1 1 1 8  10 16 o 0 174    14.1  ?    ?   542.799  50.2345      364.156    50.2345      16.7057     50.2345      
1 1 1 8  10 19 o 0 165.5  11.9  ?    ?   512.832  70.3231      328.731    70.3231      29.6983     70.3231      
1 1 1 8  10 20 o 0 81.3   8.6   ?    ?   336.756  -87.7832     208.914    -87.7832     14.1153     -87.7832     
1 1 1 8  10 21 o 0 25.1   4.8   ?    ?   293.046  153.134      12.5442    153.133      155.522     -26.8665     
1 1 1 8  10 22 o 0 625    47.4  ?    ?   977.993  -116.163     678.243    -116.163     123.681     -116.163     
1 1 1 8  10 23 o 0 159    12.3  ?    ?   554.89   -57.4555     285.133    -57.4555     26.4345     122.544      
1 1 1 8  10 24 o 0 35.7   5.8   ?    ?   153.624  -108.437     87.2963    -108.437     0.953595    -108.437     
1 1 1 8  10 25 o 0 280.9  20.3  ?    ?   630.128  -24.6059     468.578    -24.6059     96.2177     -24.6059     
1 1 1 8  10 26 o 0 70.2   8.1   ?    ?   295.652  -50.5356     201.8      -50.5356     27.3683     -50.5356     
1 1 1 8  10 27 o 0 227    18.1  ?    ?   511.988  143.065      433.556    143.065      135.261     143.065      
1 1 1 8  10 28 o 0 47.4   7.7   ?    ?   429.268  123.067      70.6392    123.067      171.194     -56.9325     
1 1 1 8  10 29 f 1 84.9   12.1  ?    ?   13.5485  19.4785      54.3805    19.4785      47.2743     19.4785      
1 1 1 8  10 30 o 0 153.8  15.7  ?    ?   413.534  173.138      355.874    173.138      141.595     173.138      
1 1 1 8  10 31 o 0 210.5  20    ?    ?   490.241  6.28972      423.948    6.28972      182.633     6.28972      
1 1 1 8  10 32 o 0 3.8    6.5   ?    ?   130.413  -90.6509     18.8028    89.3491      81.0895     89.3491      
1 1 1 8  10 33 f 1 0.5    6.6   ?    ?   271.111  84.4458      68.5799    -95.5542     201.426     -95.5542     
1 1 1 8  10 34 o 0 2.5    6.2   ?    ?   142.251  -90.2412     22.3853    89.7588      109.307     89.7588      
1 1 1 8  10 35 o 0 67.9   8.4   ?    ?   242.345  -45.406      277.55     -45.406      131.85      -45.406      
1 1 1 8  10 36 o 0 0.1    7.1   ?    ?   40.3377  -157.398     0.846098   22.6015      24.1201     22.6015      
1 1 1 8  10 37 o 0 9.5    7.3   ?    ?   175.398  -65.4134     25.1376    -65.4134     71.3316     114.587      
1 1 1 8  10 38 o 0 -0.5   6     ?    ?   97.2669  -97.5279     6.26326    82.4721      58.074      82.4721      
1 1 1 8  10 39 o 0 13.3   7.9   ?    ?   96.4713  -175.81      72.0963    -175.81      24.6263     -175.81      
1 1 1 8  10 40 o 0 15.9   9.1   ?    ?   164.305  163.783      82.639     163.783      10.8158     163.783      
1 1 1 8  11 0  o 0 33.9   4.7   ?    ?   58.3552  -1.71531e-13 43.755     0            1.08898     6.72053e-12  
1 1 1 8  11 1  o 0 109.4  8.6   ?    ?   454.138  -127.66      300.461    -127.66      29.3994     52.3404      
1 1 1 8  11 3  o 0 64.2   4.9   ?    ?   384.83   12.0999      176.62     12.0999      99.1617     -167.9       
1 1 1 8  11 4  o 0 234.1  16.4  ?    ?   351.944  -79.807      661.595    -79.807      411.046     -79.807      
1 1 1 8  11 5  o 0 293.7  20.6  ?    ?   746.713  75.2258      531.089    75.2258      2.92103     75.2258      
1 1 1 8  11 9  o 0 352.1  24.7  ?    ?   975.82   66.2712      440.616    66.2712      199.251     -113.729     
1 1 1 8  11 10 o 0 111.7  8.2   ?    ?   615.067  -140.618     183.276    -140.618     217.815     39.3823      
1 1 1 8  11 11 o 0 8.9    1.8   ?    ?   352.742  46.317       125.178    -133.683     353.946     -133.683     
1 1 1 8  11 12 o 0 5.4    1.9   ?    ?   341.045  -57.0768     155.87     122.923      375.836     122.923      
1 1 1 8  11 13 o 0 341.6  24.1  ?    ?   915.105  -135.883     453.457    -135.883     133.452     44.1172      
1 1 1 8  11 14 o 0 333.5  23.7  ?    ?   1035.54  -172.948     364.397    -172.948     295.91      7.05202      
1 1 1 8  11 15 o 0 28.2   3.8   ?    ?   273.083  -163.384     37.8741    -163.384     137.044     16.616       
1 1 1 8  11 16 o 0 212.3  16.9  ?    ?   551.834  -89.457      434.846    -89.457      83.6274     -89.457      
1 1 1 8  11 17 o 0 1576.4 117.8 ?    ?   1439.15  127.753      1188.23    127.753      344.547     127.753      
1 1 1 8  11 18 o 0 744.7  56.3  ?    ?   1102.08  143.561      744.074    143.561      100.66      143.561      
1 1 1 8  11 19 o 0 51.6   6     ?    ?   202.756  -125.179     143.376    -125.179     25.9089     -125.179     
1 1 1 8  11 20 o 0 18.1   4.7   ?    ?   67.8109  127.746      4.25474    127.746      34.7109     -52.2536     
1 1 1 8  11 21 o 0 303.5  23.6  ?    ?   706.57   -125.028     450.426    -125.028     48.8251     -125.028     
1 1 1 8  11 22 o 0 362.6  26.4  ?    ?   1049.81  51.1262      341.884    51.1262      249.251     -128.874     
1 1 1 8  11 23 o 0 20     5.2   ?    ?   86.3957  -129.229     16.6864    -129.229     32.035      50.771       
1 1 1 8  11 24 o 0 212.3  16.4  ?    ?   440.257  8.01381      430.928    8.01381      185.274     8.01381      
1 1 1 8  11 25 o 0 218.5  16.3  ?    ?   690.849  -10.6331     328.68     -10.6331     80.7549     169.367      
1 1 1 8  11 26 o 0 666.3  44.4  ?    ?   1204.3   -151.727     586.474    -151.727     118.785     28.2726      
1 1 1 8  11 27 o 0 89.6   9.5   ?    ?   359.857  163.303      234.434    163.303      30.5293     163.303      
1 1 1 8  11 28 o 0 22     6.6   ?    ?   145.186  -157.878     48.5428    -157.878     32.6332     22.1218      
1 1 1 8  11 29 o 0 270.1  22.3  ?    ?   827.182  -165.935     352.03     -165.935     79.6523     14.0655      
1 1 1 8  11 30 o 0 43.1   10.1  ?    ?   274.503  -76.283      136.988    -76.283      0.804309    -76.283      
1 1 1 8  11 31 o 0 202.6  22.1  ?    ?   355.44   -68.8811     468.535    -68.8811     297.317     -68.8811     
1 1 1 8  11 32 o 0 12.1   7.5   ?    ?   196.115  92.7982      10.0791    92.7982      82.8722     -87.2018     
1 1 1 8  11 33 o 0 4.1    6.2   ?    ?   92.8679  112.766      11.9336    -67.2337     68.1204     -67.2337     
1 1 1 8  11 34 o 0 -4.5   7.5   ?    ?   152.653  -68.9659     40.4822    111.034      133.048     111.034      
1 1 1 8  11 35 o 0 111.5  11.7  ?    ?   477.078  81.7741      273.441    81.7741      11.1989     -98.2259     
1 1 1 8  11 36 o 0 23.3   6.6   ?    ?   157.443  -59.0294     123.304    -59.0294     33.1527     -59.0294     
1 1 1 8  11 37 o 0 25.3   6.6   ?    ?   164.078  99.9713      134.047    99.9713      44.4867     99.9713      
1 1 1 8  11 38 o 0 27.5   6.8   ?    ?   115.845  -160.782     157.578    -160.782     96.3363     -160.782     
1 1 1 8  11 39 o 0 27.5   7.2   ?    ?   177.679  -157.438     157.022    -157.438     78.2122     -157.438     
1 1 1 8  12 0  o 0 1400.2 128.1 ?    ?   886.836  180          1203.85    180          560.227     -180         
1 1 1 8  12 1  o 0 32.4   3.2   ?    ?   419.019  -133.723     5.43104    -133.723     296.896     46.2767      
1 1 1 8  12 3  o 0 67.2   5.5   ?    ?   389.681  -15.5638     185.167    -15.5638     92.5676     164.436      
1 1 1 8  12 4  o 0 721.2  49.9  ?    ?   851.766  12.0491      1073.26    12.0491      469.932     12.0491      
1 1 1 8  12 5  o 0 275.3  20.8  ?    ?   570.78   138.42       574.813    138.42       195.133     138.42       
1 1 1 8  12 6  o 0 97.6   7.1   ?    ?   354.596  -119.701     289.968    -119.701     55.5069     -119.701     
1 1 1 8  12 7  o 0 88     6.4   ?    ?   445.35   -172.823     213.08     -172.823     81.018      7.17668      
1 1 1 8  12 8  o 0 427.1  29.8  ?    ?   1056.57  -93.5361     500.986    -93.5361     192.722     86.4639      
1 1 1 8  12 9  o 0 213.7  15.2  ?    ?   783.539  -31.978      317.886    -31.978      193.636     148.022      
1 1 1 8  12 10 f 1 32.9   3.1   ?    ?   202.262  -144.555     80.1045    -144.555     50.8566     35.445       
1 1 1 8  12 11 o 0 66.7   5.4   ?    ?   422.333  169.489      149.522    169.489      123.085     -10.511      
1 1 1 8  12 12 o 0 338.2  22.2  ?    ?   1021.65  -83.6043     383.02     -83.6043     272.66      96.3957      
1 1 1 8  12 13 o 0 1493.3 96.7  ?    ?   1394.05  139.483      1283.39    139.483      384.484     139.483      
1 1 1 8  12 14 o 0 356.6  27.3  ?    ?   680.935  74.4222      606.997    74.4222      170.581     74.4222      
1 1 1 8  12 15 o 0 4.1    3.3   ?    ?   70.2135  153.314      32.7819    -26.6863     77.4984     -26.6863     
1 1 1 8  12 16 o 0 16.6   3.4   ?    ?   190.262  -61.1533     10.3273    118.847      121.951     118.847      
1 1 1 8  12 17 o 0 794.1  59.9  ?    ?   886.83   106.891      911.755    106.891      393.526     106.891      
1 1 1 8  12 18 o 0 567.2  52.9  ?    ?   1252.24  71.9898      475.123    71.9898      251.211     -108.01      
1 1 1 8  12 19 o 0 50.5   6.4   ?    ?   308.008  -144.368     118.596    -144.368     58.6507     35.6318      
1 1 1 8  12 20 o 0 20     4.8   ?    ?   193.63   90.511       10.4046    90.511       99.8507     -89.489      
1 1 1 8  12 21 o 0 52.9   6.3   ?    ?   515.403  34.5727      38.4342    34.5727      252.427     -145.427     
1 1 1 8  12 22 o 0 706.4  49.5  ?    ?   991.276  90.0669      739.615    90.0669      185.505     90.0669      
1 1 1 8  12 23 o 0 230    18    ?    ?   655.391  -128.468     352.797    -128.468     14.0494     51.5322      
1 1 1 8  12 24 o 0 52.3   6.7   ?    ?   284.894  -127.073     142.22     -127.073     25.5118     52.9272      
1 1 1 8  12 25 o 0 56.8   7     ?    ?   327.623  -90.3925     144.565    -90.3925     48.1084     89.6075      
1 1 1 8  12 26 o 0 552.5  37.4  ?    ?   884.003  -36.6045     660.042    -36.6045     156.726     -36.6045     
1 1 1 8  12 27 o 0 141    12.3  ?    ?   461.904  -161.845     303.098    -161.845     43.4342     -161.845     
1 1 1 8  12 28 o 0 8.9    6     ?    ?   80.6349  4.10203      5.28065    -175.898     47.6176     -175.898     
1 1 1 8  12 29 o 0 4.7    6.8   ?    ?   191.162  165.127      34.1912    -14.8732     129.668     -14.8732     
1 1 1 8  12 30 o 0 224.4  20.7  ?    ?   718.006  92.2926      339.382    92.2926      13.9568     -87.7074     
1 1 1 8  12 31 o 0 65.8   14.1  ?    ?   474.931  123.154      127.96     123.154      98.9672     -56.8459     
1 1 1 8  12 32 o 0 22.3   8.1   ?    ?   208.467  49.1678      83.0514    49.1678      44.1885     -130.832     
1 1 1 8  12 33 o 0 55.4   9.2   ?    ?   244.694  -179.546     233.622    -179.546     83.8264     -179.546     
1 1 1 8  12 34 o 0 46.4   7     ?    ?   279.381  91.3555      181.129    91.3555      12.7277     91.3555      
1 1 1 8  12 35 o 0 29     6.4   ?    ?   179.413  -60.9437     149.516    -60.9437     45.6517     -60.9437     
1 1 1 8  12 36 f 1 12.9   6.3   ?    ?   72.4513  -93.6425     53.6099    -93.6425     13.7006     -93.6425     
1 1 1 8  12 37 o 0 7.9    6.1   ?    ?   129.981  -176.884     29.9264    -176.884     39.6486     3.116        
1 1 1 8  12 38 o 0 -4.4   6.2   ?    ?   147.969  90.4433      20.9627    -89.5567     94.1868     -89.5567     
1 1 1 8  12 39 f 1 7.2    7.9   ?    ?   136.038  -46.8491     47.6407    -46.8491     12.0575     133.151      
1 1 1 8  13 0  o 0 39.2   5.2   ?    ?   389.994  180          179.209    180          87.3484     -9.55211e-14 
1 1 1 8  13 1  o 0 166.2  12.8  ?    ?   596.109  147.398      344.14     147.398      61.1814     -32.6022     
1 1 1 8  13 2  o 0 38.9   4.5   ?    ?   229.873  172.977      111.391    172.977      44.0561     -7.02306     
1 1 1 8  13 3  o 0 82.9   7.3   ?    ?   395.558  -75.4877     226.645    -75.4877     39.3349     104.512      
1 1 1 8  13 4  o 0 797.4  59.5  ?    ?   1083.29  17.1276      937.009    17.1276      212.766     17.1276      
1 1 1 8  13 5  o 0 475.9  33.1  ?    ?   965.394  -41.5137     633.677    -41.5137     8.0185      138.486      
1 1 1 8  13 6  o 0 41.3   3.4   ?    ?   75.8261  -122.229     74.9925    -122.229     24.8818     -122.229     
1 1 1 8  13 7  o 0 129.1  8.8   ?    ?   649.304  -52.8347     211.019    -52.8347     215.617     127.165      
1 1 1 8  13 8  o 0 67.1   5.3   ?    ?   628.487  -111.463     36.0588    -111.463     374.535     68.5367      
1 1 1 8  13 9  o 0 1574.8 108.8 ?    ?   1765.46  -174.744     1128.93    -174.744     17.859      5.25643      
1 1 1 8  13 10 o 0 296.2  22.5  ?    ?   862.054  61.0157      415.966    61.0157      140.785     -118.984     
1 1 1 8  13 11 o 0 3.7    1.7   ?    ?   89.7435  -49.2791     44.6147    130.721      102.238     130.721      
1 1 1 8  13 12 o 0 186.3  12.6  ?    ?   695.704  97.7465      303.645    97.7465      145.144     -82.2535     
1 1 1 8  13 13 o 0 108    9.3   ?    ?   307.215  -17.5376     323.967    -17.5376     126.991     -17.5376     
1 1 1 8  13 14 o 0 27.3   3.5   ?    ?   145.209  -104.257     42.9732    -104.257     42.823      75.7433      
1 1 1 8  13 15 o 0 13     3.2   ?    ?   216.503  64.0859      36.9402    -115.914     164.021     -115.914     
1 1 1 8  13 16 o 0 31.6   4.4   ?    ?   273.601  159.403      51.0828    159.403      108.898     -20.597      
1 1 1 8  13 17 o 0 1507.6 138   ?    ?   1647.01  -36.4141     993.502    -36.4141     37.4211     -36.4141     
1 1 1 8  13 18 o 0 387    36.7  ?    ?   862.518  23.1777      481.109    23.1777      15.7486     -156.822     
1 1 1 8  13 19 o 0 18.4   4.3   ?    ?   195.34   -36.2738     1.8957     -36.2738     109.479     143.726      
1 1 1 8  13 20 o 0 65.7   7.7   ?    ?   505.409  56.768       85.2998    56.768       200.389     -123.232     
1 1 1 8  13 21 o 0 96.3   9.1   ?    ?   392.452  138.912      222.336    138.912      2.51815     138.912      
1 1 1 8  13 22 o 0 189.8  14.1  ?    ?   435.012  -158.29      397.196    -158.29      153.11      -158.29      
1 1 1 8  13 23 f 1 51.8   6.4   ?    ?   387.207  128.4        99.5786    128.4        128.464     -51.5995     
1 1 1 8  13 24 o 0 58.1   7     ?    ?   181.988  -134.459     189.706    -134.459     82.3151     -134.459     
1 1 1 8  13 25 o 0 547.8  36.9  ?    ?   1023.87  165.786      580.405    165.786      4.83834     -14.214      
1 1 1 8  13 26 o 0 252    18.7  ?    ?   679.149  39.3707      389.685    39.3707      6.1789      39.3707      
1 1 1 8  13 27 o 0 143.6  13.5  ?    ?   568.729  9.06485      269.461    9.06485      30.6652     -170.935     
1 1 1 8  13 28 o 0 -0.7   7.2   ?    ?   192.175  -160.163     57.5723    19.8374      157.626     19.8374      
1 1 1 8  13 29 f 1 125.8  13    ?    ?   728.948  -6.13794     161.477    -6.13794     198.589     173.862      
1 1 1 8  13 30 o 0 -13    9.6   ?    ?   45.7046  -172.756     11.9331    7.24442      33.9239     7.24442      
1 1 1 8  13 31 o 0 353.4  31.7  ?    ?   788.755  88.2517      456.807    88.2517      65.9088     88.2517      
1 1 1 8  13 32 o 0 12.7   8.1   ?    ?   136.891  -126.574     44.7108    -126.574     39.7894     53.4259      
1 1 1 8  13 33 o 0 16.8   6     ?    ?   141.185  29.4262      74.1102    29.4262      11.573      -150.574     
1 1 1 8  13 34 o 0 95.9   9.3   ?    ?   420.962  -95.582      266.047    -95.582      14.5018     -95.582      
1 1 1 8  13 35 o 0 101.4  9.7   ?    ?   459.638  -84.2109     260.367    -84.2109     3.41472     95.7891      
1 1 1 8  13 36 f 1 43.3   7     ?    ?   281.279  89.9376      169.364    89.9376      15.7681     89.9376      
1 1 1 8  13 37 o 0 1.6    6.7   ?    ?   15.9775  69.1208      4.24516    69.1208      3.75596     -110.879     
1 1 1 8  13 38 o 0 -0.3   7.6   ?    ?   65.2164  -60.6423     22.8295    -60.6423     6.22773     119.358      
1 1 1 8  14 0  o 0 146.9  19.5  ?    ?   311.105  -2.27117e-14 362.183    0            151.35      3.16376e-14  
1 1 1 8  14 1  o 0 140.1  13.4  ?    ?   330.892  16.6978      424.864    16.6978      201.65      16.6978      
1 1 1 8  14 2  o 0 8.3    2.6   ?    ?   187.92   119.908      63.7732    -60.0923     189.918     -60.0923     
1 1 1 8  14 3  o 0 25.3   3.3   ?    ?   148.402  -59.7282     42.2334    -59.7282     56.8697     120.272      
1 1 1 8  14 4  f 1 315.3  23.9  ?    ?   710.938  109.285      555.719    109.285      84.7        109.285      
1 1 1 8  14 5  o 0 908.4  62.9  ?    ?   1548.16  103.773      739.542    103.773      283.193     -76.2274     
1 1 1 8  14 6  o 0 86.3   6.5   ?    ?   365.373  -48.2267     247.569    -48.2267     7.53466     -48.2267     
1 1 1 8  14 7  o 0 31.1   3.1   ?    ?   127.381  171.889      64.3514    171.889      18.864      -8.11071     
1 1 1 8  14 8  o 0 1150.8 79.7  ?    ?   1407.67  -71.6829     1035.65    -71.6829     121.247     -71.6829     
1 1 1 8  14 9  o 0 1073.7 74.4  ?    ?   1035.63  -73.6173     1192.75    -73.6173     516.75      -73.6173     
1 1 1 8  14 10 o 0 346.7  24.4  ?    ?   992.121  154.609      407.717    154.609      236.125     -25.391      
1 1 1 8  14 11 o 0 90.2   7.2   ?    ?   546.208  -2.65868     153.357    -2.65868     199.011     177.341      
1 1 1 8  14 12 o 0 622    43.3  ?    ?   1214.43  153.181      576.08     153.181      146.039     -26.8195     
1 1 1 8  14 13 o 0 575.4  43.7  ?    ?   808.848  1.66726      753.668    1.66726      275.724     1.66726      
1 1 1 8  14 14 f 1 239.6  17.5  ?    ?   494.73   -81.7715     477.967    -81.7715     187.392     -81.7715     
1 1 1 8  14 15 o 0 41.3   4.7   ?    ?   261.305  -147.728     97.2627    -147.728     55.5663     32.2717      
1 1 1 8  14 16 o 0 150.3  13.6  ?    ?   469.496  -137.324     317.441    -137.324     44.7959     -137.324     
1 1 1 8  14 17 o 0 555.7  46.1  ?    ?   884.111  -74.1558     666.595    -74.1558     157.006     -74.1558     
1 1 1 8  14 18 o 0 287    24.4  ?    ?   653.218  59.6454      455.911    59.6454      83.1734     59.6454      
1 1 1 8  14 19 f 1 76.3   7.4   ?    ?   599.801  23.984       70.5094    23.984       268.031     -156.016     
1 1 1 8  14 20 o 0 84.7   8.7   ?    ?   408.228  35.6832      186.436    35.6832      45.1809     -144.317     
1 1 1 8  14 21 o 0 295.4  20.5  ?    ?   631.923  -14.3622     466.102    -14.3622     110.901     -14.3622     
1 1 1 8  14 22 o 0 438    31.8  ?    ?   839.062  -117.274     565.464    -117.274     68.9526     -117.274     
1 1 1 8  14 23 o 0 287.6  20.4  ?    ?   825.274  107.376      363.17     107.376      125.095     -72.6237     
1 1 1 8  14 24 f 1 102.4  9.8   ?    ?   471.113  72.8814      207.071    72.8814      67.8872     -107.119     
1 1 1 8  14 25 o 0 198.8  15.3  ?    ?   558.513  99.2749      367.108    99.2749      50.5869     99.2749      
1 1 1 8  14 26 o 0 59.4   7.4   ?    ?   269.154  147.774      194.203    147.774      51.5779     147.774      
1 1 1 8  14 27 o 0 36.5   6.6   ?    ?   314.529  -31.7594     91.9334    -31.7594     72.5937     148.241      
1 1 1 8  14 28 f 1 25.7   8.4   ?    ?   222.007  -114.309     75.0652    -114.309     35.1771     65.6913      
1 1 1 8  14 29 o 0 9.6    8.2   ?    ?   220.471  -19.353      6.40517    160.647      113.111     160.647      
1 1 1 8  14 31 o 0 47     7.7   ?    ?   191.165  -111.906     221.252    -111.906     104.745     -111.906     
1 1 1 8  14 32 o 0 16     7.9   ?    ?   200.464  -173.899     49.4737    -173.899     73.141      6.10053      
1 1 1 8  14 33 o 0 37.7   8.8   ?    ?   132.358  -110.571     198.086    -110.571     118.321     -110.571     
1 1 1 8  14 34 o 0 32.1   6.5   ?    ?   261.912  -75.9195     129.173    -75.9195     22.5238     104.08       
1 1 1 8  14 35 o 0 130.4  12.5  ?    ?   483.292  132.593      321.331    132.593      54.1133     132.593      
1 1 1 8  14 36 o 0 12.7   7.2   ?    ?   11.3395  -0.382137    12.3981    -0.382137    6.31693     -0.382137    
1 1 1 8  14 37 f 1 4.8    6.4   ?    ?   116.477  74.744       22.2266    74.744       35.4144     -105.256     
1 1 1 8  14 38 o 0 90.8   11.4  ?    ?   415.529  -177.659     271.801    -177.659     88.3723     -177.659     
1 1 1 8  15 0  o 0 843.3  89.3  ?    ?   810.591  -180         866.009    180          321.712     180          
1 1 1 8  15 1  o 0 472.5  35.5  ?    ?   1074.1   48.1515      563.256    48.1515      155.077     -131.848     
1 1 1 8  15 2  o 0 67.3   6.4   ?    ?   304.844  -64.4808     211.244    -64.4808     8.27013     -64.4808     
1 1 1 8  15 3  o 0 533.3  40.2  ?    ?   1092.06  93.3995      626.461    93.3995      97.2336     -86.6005     
1 1 1 8  15 4  o 0 118.6  9.7   ?    ?   661.561  -109.754     176.333    -109.754     259.904     70.2463      
1 1 1 8  15 5  f 1 1018.3 70.6  ?    ?   1253.61  -132.95      1031.78    -132.95      211.512     -132.95      
1 1 1 8  15 6  o 0 86.5   6.8   ?    ?   132.514  -5.96977     266.044    -5.96977     178.655     -5.96977     
1 1 1 8  15 7  o 0 200.4  15.6  ?    ?   646.335  -164.759     367.907    -164.759     56.0138     15.2413      
1 1 1 8  15 10 o 0 323.7  22.9  ?    ?   670.317  -142.983     525.35     -142.983     124.57      -142.983     
1 1 1 8  15 11 o 0 73     7     ?    ?   330.51   -7.84314     192.653    -7.84314     3.77323     172.157      
1 1 1 8  15 12 o 0 223.8  17.7  ?    ?   642.926  -0.635209    375.034    -0.635209    4.70275     179.365      
1 1 1 8  15 13 o 0 1437.2 107.6 ?    ?   1640.45  130.02       978.566    130.02       12.912      130.02       
1 1 1 8  15 14 o 0 1428.4 107.3 ?    ?   1504.97  156.766      1043.82    156.766      163.818     156.766      
1 1 1 8  15 15 o 0 23.2   6.3   ?    ?   94.6313  -89.0881     20.7981    -89.0882     34.1502     90.9118      
1 1 1 8  15 16 o 0 779.1  71.9  ?    ?   1269.92  -160.207     663.992    -160.207     66.4354     19.7934      
1 1 1 8  15 17 o 0 274.3  23.3  ?    ?   759.136  -115.677     380.495    -115.677     52.7968     64.3231      
1 1 1 8  15 18 o 0 223.8  18.3  ?    ?   640.777  -19.2861     360.553    -19.2861     2.23201     160.714      
1 1 1 8  15 19 o 0 25.7   4.5   ?    ?   343.387  136.794      5.44137    136.794      189.54      -43.2063     
1 1 1 8  15 20 o 0 95.3   8.2   ?    ?   348.855  -155.699     238.926    -155.699     42.6185     -155.699     
1 1 1 8  15 21 o 0 8.3    4.7   ?    ?   250.773  -131.577     72.0027    48.4227      222.149     48.4227      
1 1 1 8  15 22 f 1 28.1   5.7   ?    ?   233.787  -145.415     59.9267    -145.415     78.2923     34.5846      
1 1 1 8  15 23 o 0 351    26.3  ?    ?   594.905  -30.9053     576.353    -30.9053     227.453     -30.9053     
1 1 1 8  15 24 o 0 5.1    5     ?    ?   201.516  -128.274     62.0454    51.7256      176.563     51.7256      
1 1 1 8  15 25 f 1 104.6  9.7   ?    ?   372.829  32.7803      278.94     32.7803      81.2465     32.7803      
1 1 1 8  15 26 o 0 81.8   13    ?    ?   357.839  88.3681      220.426    88.3681      32.5393     88.3681      
1 1 1 8  15 27 o 0 117.9  14.5  ?    ?   497.399  -112.765     253.117    -112.765     4.41836     -112.765     
1 1 1 8  15 28 o 0 9      6.1   ?    ?   207.499  3.97894      11.8296    -176.021     112.748     -176.021     
1 1 1 8  15 29 o 0 21.9   6.5   ?    ?   264.405  -158.341     54.125     -158.341     72.638      21.6592      
1 1 1 8  15 30 o 0 35.5   6.5   ?    ?   292.47   88.992       128.32     88.992       51.0141     -91.008      
1 1 1 8  15 31 o 0 50.3   7.5   ?    ?   371      -68.1976     150.148    -68.1976     78.3008     111.802      
1 1 1 8  15 32 o 0 10.5   6.3   ?    ?   73.1664  -150.648     30.8155    -150.648     13.6032     29.3525      
1 1 1 8  15 33 o 0 105.7  14.5  ?    ?   305.019  -138.206     351.658    -138.206     173.576     -138.206     
1 1 1 8  15 34 o 0 10.5   7.9   ?    ?   173.918  101.105      32.8786    101.105      64.1199     -78.8952     
1 1 1 8  15 35 f 1 124.7  11.1  ?    ?   360.256  90.0701      374.245    90.0701      179.734     90.0701      
1 1 1 8  15 36 o 0 14     6.2   ?    ?   155.617  -99.7581     73.679     -99.7581     4.30934     80.2419      
1 1 1 8  15 37 f 1 0.4    6.7   ?    ?   47.3924  -117.387     16.6486    -117.387     4.44354     62.613       
1 1 1 8  16 0  o 0 161.8  17.8  ?    ?   299.951  2.00479e-14  374.246    0            172.704     -2.33956e-14 
1 1 1 8  16 1  f 1 71.3   6.1   ?    ?   561.577  -22.2481     88.0036    -22.2481     287.035     157.752      
1 1 1 8  16 2  o 0 101.2  8.4   ?    ?   507.031  -39.4727     214.773    -39.4727     123.372     140.527      
1 1 1 8  16 3  o 0 32.1   4     ?    ?   287.363  121.933      56.5688    121.933      134.254     -58.0669     
1 1 1 8  16 4  o 0 837.8  68.8  ?    ?   1031.32  81.2062      986.959    81.2062      305.261     81.2062      
1 1 1 8  16 5  o 0 1463.3 109.2 ?    ?   1755.16  -95.73       1047.35    -95.73       107.177     84.27        
1 1 1 8  16 6  o 0 71.3   6     ?    ?   418.934  -113.544     164.349    -113.544     109.824     66.4559      
1 1 1 8  16 7  o 0 35.7   4     ?    ?   384.433  167.319      32.6137    167.319      199.471     -12.6814     
1 1 1 8  16 8  o 0 367.4  28    ?    ?   812.788  38.5903      509.023    38.5903      21.0161     38.5903      
1 1 1 8  16 9  o 0 472.7  33.4  ?    ?   848.777  -166.08      621.548    -166.08      114.808     -166.08      
1 1 1 8  16 10 o 0 90     8.7   ?    ?   610.278  -22.1804     105.336    -22.1804     257.998     157.82       
1 1 1 8  16 11 o 0 149.3  13.3  ?    ?   579.466  -170.11      264.359    -170.11      78.5461     9.89008      
1 1 1 8  16 12 o 0 230.7  18.3  ?    ?   749.612  -11.7914     324.618    -11.7914     116.192     168.209      
1 1 1 8  16 13 o 0 1004.4 75.6  ?    ?   1157.6   98.3218      934.53     98.3218      258.246     98.3218      
1 1 1 8  16 14 f 1 270.2  26.3  ?    ?   790.921  165.789      360.706    165.789      97.0365     -14.2106     
1 1 1 8  16 15 o 0 54.7   7.7   ?    ?   360.189  30.93        117.212    30.93        89.848      -149.07      
1 1 1 8  16 16 o 0 8.3    3.6   ?    ?   150.811  -61.7733     43.463     118.227      129.511     118.227      
1 1 1 8  16 17 o 0 351.4  27.7  ?    ?   962.791  -39.6381     375.966    -39.6381     169.065     140.362      
1 1 1 8  16 18 o 0 126.4  12.8  ?    ?   608.687  113.957      187.563    113.957      158.109     -66.0428     
1 1 1 8  16 19 o 0 200.1  15.5  ?    ?   600.08   -143.306     354.71     -143.306     4.46469     36.6941      
1 1 1 8  16 20 o 0 14.7   4.4   ?    ?   136.043  122.447      2.01817    122.447      79.4966     -57.5525     
1 1 1 8  16 21 o 0 178.9  13.4  ?    ?   693.337  176.094      255.676    176.094      155.749     -3.90642     
1 1 1 8  16 22 o 0 89.2   8.7   ?    ?   490.204  79.8301      172.444    79.8301      109.689     -100.17      
1 1 1 8  16 23 o 0 14.4   5     ?    ?   331.415  -9.8349      45.47      170.165      234.169     170.165      
1 1 1 8  16 24 o 0 46.7   8.3   ?    ?   253.76   -100.574     155.413    -100.574     20.1892     -100.574     
1 1 1 8  16 25 o 0 37.1   7.6   ?    ?   315.837  81.0963      93.9568    81.0963      72.3504     -98.9037     
1 1 1 8  16 26 o 0 162.7  13.6  ?    ?   525.511  -158.139     334.882    -158.139     71.2437     -158.139     
1 1 1 8  16 27 o 0 32.9   6.4   ?    ?   201.626  -54.8193     125.419    -54.8193     26.9742     -54.8193     
1 1 1 8  16 28 o 0 -1.2   5.8   ?    ?   42.7982  70.7547      11.2806    -109.245     31.8906     -109.245     
1 1 1 8  16 29 f 1 28.6   6.1   ?    ?   219.577  0.634659     126.031    0.634659     8.93655     -179.365     
1 1 1 8  16 30 f 1 95.2   9.1   ?    ?   285.739  124.648      350.217    124.648      173.733     124.648      
1 1 1 8  16 31 o 0 18.3   6.4   ?    ?   98.1193  171.643      89.1241    171.643      29.1848     171.643      
1 1 1 8  16 32 o 0 29.2   6.7   ?    ?   229.102  -4.06548     131.326    -4.06548     3.35285     175.935      
1 1 1 8  16 33 o 0 3.5    6.5   ?    ?   92.4998  -85.3391     6.51558    -85.3391     45.4619     94.6609      
1 1 1 8  16 34 o 0 16.3   6.9   ?    ?   123.086  9.89475      89.7398    9.89475      22.5661     9.89475      
1 1 1 8  16 35 o 0 38.5   7.7   ?    ?   253.589  62.1411      171.141    62.1411      42.9293     62.1411      
1 1 1 8  16 36 f 1 9.9    7     ?    ?   151.393  159.212      58.4074    159.212      9.61305     -20.7879     
1 1 1 8  17 0  o 0 193.6  18.7  ?    ?   436.652  180          379.527    180          110.342     -180         
1 1 1 8  17 1  o 0 466.1  32.6  ?    ?   1028.9   -49.7184     525.184    -49.7184     107.167     130.282      
1 1 1 8  17 2  o 0 8.8    2.7   ?    ?   152.137  -125.083     44.441     54.9172      137.615     54.9172      
1 1 1 8  17 3  o 0 395.3  30.1  ?    ?   941.306  -74.6116     480.523    -74.6116     93.7121     105.388      
1 1 1 8  17 4  o 0 138.2  11.2  ?    ?   534.211  118.02       272.775    118.02       51.728      -61.9795     
1 1 1 8  17 5  o 0 216.6  17.1  ?    ?   493.263  -162.68      451.991    -162.68      153.728     -162.68      
1 1 1 8  17 6  o 0 55.6   5.8   ?    ?   174.604  -168.556     161.112    -168.556     56.0448     -168.556     
1 1 1 8  17 7  o 0 55.4   5.8   ?    ?   522.322  -127.881     44.3019    -127.881     269.359     52.1188      
1 1 1 8  17 8  o 0 2303.3 171.7 ?    ?   1924.48  131.846      1334.56    131.846      185.055     131.846      
1 1 1 8  17 9  o 0 592.9  41.5  ?    ?   886.434  68.4269      729.417    68.4269      202.893     68.4269      
1 1 1 8  17 10 o 0 40.7   5.2   ?    ?   252.785  -91.8924     97.3771    -91.8924     51.8991     88.1076      
1 1 1 8  17 11 f 1 47.8   5.9   ?    ?   330.428  144.286      103.178    144.286      90.2665     -35.7143     
1 1 1 8  17 12 o 0 100.3  10.6  ?    ?   166.019  101.333      295.485    101.333      198.867     101.333      
1 1 1 8  17 13 o 0 565.2  52.9  ?    ?   1080.75  -55.128      567.899    -55.128      56.9087     124.872      
1 1 1 8  17 14 o 0 526.8  57    ?    ?   1113.38  -68.0037     501.95     -68.0037     137.271     111.996      
1 1 1 8  17 15 o 0 12.8   5.5   ?    ?   30.7082  -29.4804     3.59145    150.52       21.0939     150.52       
1 1 1 8  17 16 o 0 136    16.2  ?    ?   423.057  -95.7754     303.472    -95.7754     61.4216     -95.7754     
1 1 1 8  17 17 o 0 564.9  47.6  ?    ?   1191.77  52.132       484.173    52.132       192.24      -127.868     
1 1 1 8  17 18 o 0 806.4  68.9  ?    ?   807.847  90.9193      965.61     90.9193      482.223     90.9193      
1 1 1 8  17 19 o 0 42.7   4.9   ?    ?   243.558  -96.903      124.942    -96.903      20.9955     83.097       
1 1 1 8  17 20 o 0 48.8   5.8   ?    ?   96.1892  -29.0689     126.911    -29.0689     69.813      -29.0689     
1 1 1 8  17 21 o 0 305.9  21.6  ?    ?   726.537  121.016      453.241    121.016      34.7938     121.016      
1 1 1 8  17 22 o 0 160.4  15.2  ?    ?   281.456  -6.86972     430.656    -6.86972     270.227     -6.86972     
1 1 1 8  17 23 o 0 1.6    6.1   ?    ?   257.212  159.211      81.4617    -20.7886     218.733     -20.7886     
1 1 1 8  17 24 o 0 22.4   5.3   ?    ?   94.2449  -147.608     53.0499    -147.608     3.32687     -147.608     
1 1 1 8  17 25 o 0 12.5   6.2   ?    ?   118.598  70.9614      13.6962    70.9614      45.947      -109.039     
1 1 1 8  17 26 o 0 435.7  42.8  ?    ?   793.222  15.5735      579.025    15.5735      190.595     15.5735      
1 1 1 8  17 27 f 1 99.5   10.5  ?    ?   357.91   -110.177     273.254    -110.177     100.747     -110.177     
1 1 1 8  17 28 o 0 42.2   6.9   ?    ?   182.575  -166.107     206.764    -166.107     93.8005     -166.107     
1 1 1 8  17 29 o 0 8.9    6.3   ?    ?   134.114  6.41323      17.073     6.41323      66.3539     -173.587     
1 1 1 8  17 30 o 0 164.1  14.2  ?    ?   433.306  170.546      432.724    170.546      166.663     170.546      
1 1 1 8  17 31 o 0 85.1   9.4   ?    ?   393.662  156.75       251.938    156.75       14.0197     156.75       
1 1 1 8  17 32 o 0 53.4   7.6   ?    ?   323.519  -10.6485     187.321    -10.6485     0.821393    169.351      
1 1 1 8  17 33 o 0 -2     6.3   ?    ?   93.6721  -133.763     13.1416    46.2374      65.21       46.2374      
1 1 1 8  17 34 o 0 39.7   7.8   ?    ?   330.002  23.8917      130.206    23.8917      47.9388     -156.108     
1 1 1 8  17 35 o 0 3.3    9.2   ?    ?   205.442  -118.918     3.10475    -118.918     99.6343     61.0818      
1 1 1 8  18 0  o 0 1405.4 129.1 ?    ?   1753.01  -1.33576e-14 1003.96    0            67.6734     180          
1 1 1 8  18 1  o 0 879.4  57.2  ?    ?   1302.6   157.281      785.766    157.281      8.43257     -22.7195     
1 1 1 8  18 2  o 0 142    10.1  ?    ?   487.099  145.25       305.156    145.25       9.09497     145.25       
1 1 1 8  18 3  f 1 17.3   3.8   ?    ?   141.589  96.4868      0.0125373  -83.5132     85.5459     -83.5132     
1 1 1 8  18 4  o 0 1045   78.4  ?    ?   1361.74  -128.675     878.889    -128.675     57.3942     -128.675     
1 1 1 8  18 5  o 0 1189.6 97.8  ?    ?   1611.08  60.4507      835.664    60.4507      132.083     -119.549     
1 1 1 8  18 6  o 0 111.8  9.5   ?    ?   534.765  67.5179      203.969    67.5179      115.773     -112.482     
1 1 1 8  18 7  o 0 70.9   6.8   ?    ?   372.036  14.7809      168.467    14.7809      52.8841     -165.219     
1 1 1 8  18 8  o 0 87.3   7.3   ?    ?   461.088  -34.055      174.808    -34.055      98.0983     145.945      
1 1 1 8  18 9  o 0 426.4  32.4  ?    ?   534.851  -39.9106     723.122    -39.9106     408.295     -39.9106     
1 1 1 8  18 10 o 0 43.1   5.1   ?    ?   182.478  129.388      116.126    129.388      9.56541     129.388      
1 1 1 8  18 11 o 0 133.7  12.3  ?    ?   380.148  21.7129      326.217    21.7129      105.568     21.7129      
1 1 1 8  18 12 o 0 40.6   6.6   ?    ?   140.959  -150.828     97.3635    -150.828     16.067      -150.828     
1 1 1 8  18 13 o 0 141.1  14.9  ?    ?   359.205  -53.8781     346.603    -53.8781     140.819     -53.8781     
1 1 1 8  18 14 f 1 398.4  37.8  ?    ?   781.733  -38.4202     532.267    -38.4202     83.5875     -38.4202     
1 1 1 8  18 15 o 0 26.6   6.6   ?    ?   244.234  -123.848     41.2136    -123.848     98.2929     56.1521      
1 1 1 8  18 16 o 0 76.3   12.1  ?    ?   324.947  -126.011     209.884    -126.011     14.0689     -126.011     
1 1 1 8  18 17 f 1 56     10.1  ?    ?   30.6281  18.1197      59.2231    18.1197      40.775      18.1197      
1 1 1 8  18 18 o 0 96.8   10.1  ?    ?   292.977  -63.95       282.322    -63.95       106.914     -63.95       
1 1 1 8  18 19 o 0 143    12    ?    ?   419.975  84.3724      330.344    84.3724      81.1645     84.3724      
1 1 1 8  18 20 o 0 58.3   7.8   ?    ?   216.204  -63.4148     198.901    -63.4148     74.3949     -63.4148     
1 1 1 8  18 21 o 0 92.5   10.3  ?    ?   380.399  -158.179     233.41     -158.179     16.5297     -158.179     
1 1 1 8  18 22 o 0 141.4  12.3  ?    ?   278.287  -164.811     401.995    -164.811     253.38      -164.811     
1 1 1 8  18 23 f 1 28.1   5.4   ?    ?   190.506  80.2484      100.73     80.2484      3.90729     80.2484      
1 1 1 8  18 24 o 0 4.6    4.9   ?    ?   71.9639  128.739      14.1976    -51.2614     50.4432     -51.2614     
1 1 1 8  18 25 o 0 5.3    5.2   ?    ?   288.818  29.7928      62.6891    -150.207     204.4       -150.207     
1 1 1 8  18 26 o 0 172.7  17.4  ?    ?   488.768  111.663      363.836    111.663      127.065     111.663      
1 1 1 8  18 27 o 0 -8.3   9     ?    ?   58.5146  51.9191      16.1947    -128.081     52.5072     -128.081     
1 1 1 8  18 28 o 0 3.7    5.4   ?    ?   82.4279  -100.229     8.32014    79.771       59.7761     79.771       
1 1 1 8  18 29 o 0 0.8    5.7   ?    ?   81.8992  112.832      13.9583    -67.1681     64.452      -67.1681     
1 1 1 8  18 30 o 0 69.4   7.5   ?    ?   350.438  5.02767      229.37     5.02767      16.5896     5.02767      
1 1 1 8  18 31 o 0 52.9   8.1   ?    ?   325.275  -116.3       184.695    -116.3       5.46076     63.6996      
1 1 1 8  18 32 o 0 15.4   7     ?    ?   127.407  128.92       76.4935    128.92       5.25883     128.92       
1 1 1 8  18 33 o 0 5.8    6.2   ?    ?   173.872  -36.2586     4.9864     -36.2586     89.4824     143.741      
1 1 1 8  18 34 o 0 20.7   6.4   ?    ?   181.031  -6.53368     108.905    -6.53368     17.7296     -6.53368     
1 1 1 8  18 35 o 0 23.4   7     ?    ?   245.912  163.249      107.657    163.249      2.75523     -16.7509     
1 1 1 8  19 0  o 0 983.8  90.7  ?    ?   1105.41  -1.40774e-14 831.157    0            163.651     5.74195e-14  
1 1 1 8  19 1  o 0 312.1  20.9  ?    ?   673.97   -176.855     507.245    -176.855     101.174     -176.855     
1 1 1 8  19 2  o 0 17.2   3.5   ?    ?   173.727  -176.42      4.3649     3.57963      108.75      3.57963      
1 1 1 8  19 3  f 1 14     3.9   ?    ?   116.371  2.26649      11.3307    -177.734     80.8499     -177.734     
1 1 1 8  19 4  o 0 312.6  22.6  ?    ?   1014.72  -42.2929     308.771    -42.2929     296.769     137.707      
1 1 1 8  19 5  o 0 508.3  42.5  ?    ?   946.901  42.4766      599.519    42.4766      37.9374     42.4766      
1 1 1 8  19 6  o 0 8.3    3.4   ?    ?   122.876  -170.173     36.0694    9.82673      108.624     9.82673      
1 1 1 8  19 7  o 0 37.3   4.7   ?    ?   355.509  -8.4384      53.365     -8.4384      155.558     171.562      
1 1 1 8  19 8  o 0 203.7  15.1  ?    ?   638.082  -55.2251     338.715    -55.2251     34.3681     124.775      
1 1 1 8  19 9  o 0 68.4   6.7   ?    ?   392.332  -115.564     150.838    -115.564     77.3198     64.4362      
1 1 1 8  19 10 o 0 124.2  11.6  ?    ?   389.595  -45.0071     299.263    -45.0071     73.9917     -45.0071     
1 1 1 8  19 11 o 0 11.9   3.8   ?    ?   271.889  -46.3504     53.0435    133.65       211.108     133.65       
1 1 1 8  19 12 o 0 253.4  24.8  ?    ?   570.525  -71.0355     445.827    -71.0355     116.261     -71.0355     
1 1 1 8  19 13 o 0 308    29.8  ?    ?   719.758  -175.052     443.503    -175.052     30.5221     -175.052     
1 1 1 8  19 14 f 1 24.2   6     ?    ?   241.926  128.963      31.4761    128.963      114.689     -51.0372     
1 1 1 8  19 15 o 0 10.7   6.3   ?    ?   93.7672  -54.634      13.1331    125.366      70.0904     125.366      
1 1 1 8  19 16 o 0 99.5   13.7  ?    ?   556.163  30.9138      157.72     30.9138      177.465     -149.086     
1 1 1 8  19 17 o 0 137.5  15.6  ?    ?   472.452  -96.4922     292.223    -96.4922     9.83581     -96.4922     
1 1 1 8  19 18 o 0 526.9  44.6  ?    ?   1049.79  -110.463     545.374    -110.463     64.1314     69.5373      
1 1 1 8  19 19 f 1 42.3   7     ?    ?   251.684  136.447      129.858    136.447      14.5623     -43.5525     
1 1 1 8  19 20 o 0 6      6     ?    ?   26.3222  -36.182      4.32528    143.818      18.5219     143.818      
1 1 1 8  19 21 o 0 44.5   5.9   ?    ?   210.407  103.943      159.885    103.943      47.5499     103.943      
1 1 1 8  19 22 o 0 66.4   6.8   ?    ?   323.438  -169.641     204.117    -169.641     39.2841     -169.641     
1 1 1 8  19 23 o 0 39.8   5.5   ?    ?   416.673  -132.181     71.9834    -132.181     138.001     47.819       
1 1 1 8  19 24 o 0 25     5.3   ?    ?   190.295  -94.7375     91.8757    -94.7375     1.58983     85.2625      
1 1 1 8  19 25 o 0 17.1   6.1   ?    ?   279.944  -24.0175     19.2538    -24.0175     122.832     155.983      
1 1 1 8  19 26 o 0 134.8  13.1  ?    ?   428.468  95.6339      383.737    95.6339      117.313     95.6339      
1 1 1 8  19 27 o 0 93.3   10.3  ?    ?   348.305  44.0306      312.104    44.0306      94.1296     44.0306      
1 1 1 8  19 28 o 0 10.8   6.6   ?    ?   154.265  48.3172      31.0197    48.3172      64.378      -131.683     
1 1 1 8  19 29 o 0 10.1   6.6   ?    ?   170.31   38.5522      27.7045    38.5522      73.8197     -141.448     
1 1 1 8  19 30 o 0 14.4   5.9   ?    ?   245.039  88.9227      28.6166    88.9227      115.227     -91.0773     
1 1 1 8  19 31 o 0 34.5   7.4   ?    ?   355.442  -106.661     95.8867    -106.661     103.785     73.3394      
1 1 1 8  19 32 o 0 28.5   6.5   ?    ?   276.09   173.868      109.349    173.868      41.4563     -6.13161     
1 1 1 8  19 33 o 0 32.3   6.9   ?    ?   254.197  -117.716     143.675    -117.716     14.8899     -117.716     
1 1 1 8  19 34 o 0 22.2   7.2   ?    ?   148.672  -19.0973     135.256    -19.0973     68.065      -19.0973     
1 1 1 8  20 0  f 1 307.6  29.4  ?    ?   564.712  180          460.594    180          125.612     -180         
1 1 1 8  20 1  o 0 226.4  15.7  ?    ?   502.304  -139.67      457.385    -139.67      159.212     -139.67      
1 1 1 8  20 2  o 0 52.4   5.4   ?    ?   184.65   -2.44405     154.01     -2.44405     44.6622     -2.44405     
1 1 1 8  20 3  o 0 24.5   4.2   ?    ?   162.548  -61.6712     35.6271    -61.6712     60.3548     118.329      
1 1 1 8  20 4  f 1 1177.6 88.6  ?    ?   1062.25  102.924      1130.67    102.924      507.136     102.924      
1 1 1 8  20 5  o 0 799.4  60.6  ?    ?   1276.24  -161.393     697.563    -161.393     50.6848     18.607       
1 1 1 8  20 6  o 0 57.2   6.9   ?    ?   371.411  -43.7941     123.339    -43.7941     93.5074     136.206      
1 1 1 8  20 7  o 0 27.2   4     ?    ?   147.415  164.517      46.3451    164.517      39.3301     -15.4834     
1 1 1 8  20 8  o 0 124.8  10.1  ?    ?   394.792  4.87596      300.109    4.87596      69.159      4.87596      
1 1 1 8  20 9  o 0 94.5   9.6   ?    ?   754.418  140.093      35.3863    140.093      403.609     -39.9074     
1 1 1 8  20 10 o 0 38.2   7.2   ?    ?   325.993  177.07       70.001     177.07       118.624     -2.93037     
1 1 1 8  20 11 o 0 43.9   7.5   ?    ?   168.024  153.342      131.175    153.342      28.4287     153.342      
1 1 1 8  20 12 o 0 220.8  22.2  ?    ?   460.784  -156.487     471.654    -156.487     191.677     -156.487     
1 1 1 8  20 13 o 0 386.6  37    ?    ?   810.649  147.973      519.691    147.973      25.3946     147.973      
1 1 1 8  20 14 o 0 135.1  17.3  ?    ?   552.112  92.9335      246.555    92.9335      87.7039     -87.0665     
1 1 1 8  20 15 o 0 33.7   8.5   ?    ?   176.064  -28.0968     94.3322    -28.0968     11.4609     151.903      
1 1 1 8  20 16 o 0 144.1  15.2  ?    ?   418.878  31.7706      342.741    31.7706      98.0624     31.7706      
1 1 1 8  20 17 f 1 72.1   9     ?    ?   275.018  109.119      226.251    109.119      67.3534     109.119      
1 1 1 8  20 18 o 0 316    26    ?    ?   707.153  -139.407     496.823    -139.407     112.48      -139.407     
1 1 1 8  20 19 o 0 15.9   6.7   ?    ?   133.934  -107.535     24.9624    -107.535     47.1593     72.4646      
1 1 1 8  20 20 o 0 52.9   7.7   ?    ?   372.344  -52.9746     131.182    -52.9746     67.3739     127.025      
1 1 1 8  20 21 o 0 49     7.6   ?    ?   261.935  -23.6161     168.701    -23.6161     35.3181     -23.6161     
1 1 1 8  20 22 o 0 249.6  20.4  ?    ?   699.953  162.362      403.978    162.362      56.2585     162.362      
1 1 1 8  20 23 o 0 20.7   5     ?    ?   304.393  -39.1584     36.5353    -39.1584     112.979     140.842      
1 1 1 8  20 24 o 0 0.6    4.2   ?    ?   93.6019  -92.2685     27.1256    87.7315      74.6575     87.7315      
1 1 1 8  20 25 o 0 110    10.4  ?    ?   330.669  1.90177      374.754    1.90177      168.941     1.90177      
1 1 1 8  20 26 o 0 106.8  10.2  ?    ?   429.805  147.039      305.247    147.039      35.8724     147.039      
1 1 1 8  20 27 o 0 -3.9   5.2   ?    ?   81.9962  5.28932      27.8773    -174.711     78.6847     -174.711     
1 1 1 8  20 28 o 0 6.8    8.8   ?    ?   32.4418  151.514      13.7799    151.514      5.60769     -28.4863     
1 1 1 8  20 29 o 0 25.2   8.5   ?    ?   145.905  -24.3427     130.556    -24.3427     44.6449     -24.3427     
1 1 1 8  20 30 o 0 107.4  9.9   ?    ?   511.122  54.6451      258.393    54.6451      29.7717     -125.355     
1 1 1 8  20 31 f 1 31     6.5   ?    ?   386.159  23.6272      67.566     23.6272      143.701     -156.373     
1 1 1 8  20 32 o 0 34.1   6.6   ?    ?   250.852  -121.755     155.291    -121.755     27.5928     -121.755     
1 1 1 8  20 33 o 0 4.4    8.9   ?    ?   159.659  64.1556      34.267     64.1556      38.2779     -115.844     
1 1 1 8  21 1  o 0 254.3  17.5  ?    ?   468.366  -41.4761     515.067    -41.4761     237.618     -41.4761     
1 1 1 8  21 2  o 0 12.7   4.1   ?    ?   191.353  -11.2715     24.7493    168.728      137.867     168.728      
1 1 1 8  21 3  o 0 109.7  8.8   ?    ?   388.528  -125.967     269.327    -125.967     40.2427     -125.967     
1 1 1 8  21 4  o 0 379.1  29.6  ?    ?   616.529  -176.02      611.476    -176.02      249.074     -176.02      
1 1 1 8  21 5  o 0 279.6  22.5  ?    ?   583.177  -112.381     487.4      -112.381     145.811     -112.381     
1 1 1 8  21 6  o 0 48.2   6.1   ?    ?   286.64   52.1269      125.304    52.1269      41.9269     -127.873     
1 1 1 8  21 7  o 0 87.2   8.4   ?    ?   287.446  -143.453     264.69     -143.453     87.169      -143.453     
1 1 1 8  21 8  o 0 815.2  67.6  ?    ?   1133.53  59.4676      807.198    59.4676      110.502     59.4676      
1 1 1 8  21 9  o 0 222.9  20.2  ?    ?   512.313  23.535       451.63     23.535       135.141     23.535       
1 1 1 8  21 10 o 0 15.2   3.5   ?    ?   223.933  12.1856      11.0372    -167.814     148.606     -167.814     
1 1 1 8  21 11 o 0 -0.2   2.8   ?    ?   110.683  -128.159     58.1793    51.8413      125.771     51.8413      
1 1 1 8  21 12 o 0 42.5   6.9   ?    ?   216.863  -2.15651     131.17     -2.15651     0.423786    177.843      
1 1 1 8  21 13 o 0 247.5  20.7  ?    ?   533.879  100.938      480.078    100.938      164.77      100.938      
1 1 1 8  21 14 o 0 4.9    6.3   ?    ?   128.016  -76.4468     34.9686    103.553      110.036     103.553      
1 1 1 8  21 15 o 0 13.8   6.4   ?    ?   113.462  30.0308      5.06825    30.0308      60.9625     -149.969     
1 1 1 8  21 16 o 0 161.8  15.7  ?    ?   377.705  -99.0012     409.811    -99.0012     203.399     -99.0012     
1 1 1 8  21 17 o 0 89.9   10.3  ?    ?   451.986  -116.663     208.342    -116.663     36.588      63.337       
1 1 1 8  21 18 f 1 71.6   9.2   ?    ?   224.621  54.2549      248.289    54.2549      127.956     54.2549      
1 1 1 8  21 19 o 0 28.9   6.9   ?    ?   121.655  -83.4104     100.506    -83.4104     38.0557     -83.4104     
1 1 1 8  21 20 o 0 39.8   9.2   ?    ?   220.597  -52.504      142.975    -52.504      30.8433     -52.504      
1 1 1 8  21 21 o 0 163.1  18.5  ?    ?   507.903  95.2994      345.529    95.2994      93.5624     95.2994      
1 1 1 8  21 22 o 0 17.6   6.7   ?    ?   234.262  -155.035     35.5984    -155.035     79.3594     24.9647      
1 1 1 8  21 23 o 0 55.7   9.6   ?    ?   401.532  23.1201      159.377    23.1201      93.5409     -156.88      
1 1 1 8  21 24 o 0 3.7    3.8   ?    ?   24.3517  161.286      3.96747    -18.7143     19.4288     -18.7143     
1 1 1 8  21 25 o 0 16.6   4.5   ?    ?   181.348  83.5359      72.4427    83.5359      41.2648     -96.4641     
1 1 1 8  21 26 o 0 26.5   5.6   ?    ?   334.949  -60.3887     61.5304    -60.3887     146.208     119.611      
1 1 1 8  21 27 o 0 26.8   5.5   ?    ?   201.763  -76.4332     135.18     -76.4332     14.4294     -76.4332     
1 1 1 8  21 28 o 0 14.8   5     ?    ?   130.315  -112.575     80.0431    -112.575     5.28206     -112.575     
1 1 1 8  21 29 f 1 -4.2   6.5   ?    ?   95.2376  170.487      17.6535    -9.51274     71.3439     -9.51274     
1 1 1 8  21 30 o 0 51.4   8.7   ?    ?   283.457  -44.5114     201.727    -44.5114     45.7701     -44.5114     
1 1 1 8  21 31 o 0 59.7   7.2   ?    ?   312.549  25.412       228.803    25.412       69.1179     25.412       
1 1 1 8  21 32 o 0 0.4    6.2   ?    ?   114.265  -40.2783     15.9316    -40.2783     36.2067     139.722      
1 1 1 8  22 0  o 0 116.1  13.4  ?    ?   84.1135  3.73857e-14  180.931    0            128.649     -1.51933e-14 
1 1 1 8  22 1  o 0 555.6  36.8  ?    ?   772.205  1.47343      775.791    1.47343      296.393     1.47343      
1 1 1 8  22 2  o 0 75.7   7.2   ?    ?   339.403  -127.309     209.155    -127.309     1.17965     52.6913      
1 1 1 8  22 3  o 0 122.5  10.7  ?    ?   302.166  -29.4915     357.92     -29.4915     169.163     -29.4915     
1 1 1 8  22 4  o 0 1421.3 98.9  ?    ?   1312.79  134.902      1174.39    134.902      356.626     134.902      
1 1 1 8  22 5  o 0 74.8   9.1   ?    ?   304.829  -175.454     223.003    -175.454     33.7431     -175.454     
1 1 1 8  22 6  o 0 247.3  20.5  ?    ?   597.059  -45.7474     446.995    -45.7474     77.6907     -45.7474     
1 1 1 8  22 7  o 0 47.6   6.5   ?    ?   73.8798  43.4548      106.434    43.4548      60.928      43.4548      
1 1 1 8  22 8  o 0 70.8   7.4   ?    ?   327.481  -47.5307     198.092    -47.5307     2.68344     132.469      
1 1 1 8  22 9  o 0 690.1  48.4  ?    ?   1076.76  -87.0826     709.04     -87.0826     52.2248     -87.0826     
1 1 1 8  22 10 o 0 17.7   3.8   ?    ?   114.735  15.8274      28.6244    15.8274      39.5797     -164.173     
1 1 1 8  22 11 o 0 4.7    2.6   ?    ?   106.347  -85.2797     37.964     94.7203      100.81      94.7203      
1 1 1 8  22 12 o 0 95.4   10.7  ?    ?   379.049  -45.3048     249        -45.3048     26.4099     -45.3048     
1 1 1 8  22 13 o 0 87.1   11.2  ?    ?   345.638  -15.5517     240.103    -15.5517     38.4958     -15.5517     
1 1 1 8  22 14 o 0 106.6  12.9  ?    ?   468.048  55.7221      244.987    55.7221      11.5961     -124.278     
1 1 1 8  22 15 o 0 4.6    6.6   ?    ?   90.3169  -179.24      18.2084    0.760291     67.3454     0.760291     
1 1 1 8  22 16 o 0 70.2   9.1   ?    ?   437.811  74.583       158.08     74.583       78.2039     -105.417     
1 1 1 8  22 17 o 0 139.1  15.4  ?    ?   399.147  -90.8624     353.534    -90.8624     147.463     -90.8624     
1 1 1 8  22 18 o 0 83.4   12.2  ?    ?   364.154  -25.1766     232.924    -25.1766     46.5966     -25.1766     
1 1 1 8  22 19 o 0 -1.8   8.9   ?    ?   126.738  81.6353      22.6732    -98.3647     86.0209     -98.3647     
1 1 1 8  22 20 o 0 41.8   7.9   ?    ?   334.849  58.0642      117.778    58.0642      47.9356     -121.936     
1 1 1 8  22 21 o 0 259.6  23.4  ?    ?   727.935  163.168      380.077    163.168      7.11222     163.168      
1 1 1 8  22 22 o 0 184.5  17.6  ?    ?   552.833  -138.745     426.744    -138.745     79.0612     -138.745     
1 1 1 8  22 23 f 1 46     8.5   ?    ?   268.609  98.6978      191.864    98.6978      21.9424     98.6978      
1 1 1 8  22 24 f 1 2.4    9.1   ?    ?   62.983   -107.585     7.12327    -107.585     32.3286     72.4155      
1 1 1 8  22 25 o 0 76     9.6   ?    ?   375.218  151.412      239.745    151.412      7.06169     151.412      
1 1 1 8  22 26 o 0 13     4.3   ?    ?   143.78   26.9981      61.5519    26.9981      24.5285     -153.002     
1 1 1 8  22 27 o 0 45.3   6.2   ?    ?   285.308  -102.948     185.497    -102.948     21.6721     -102.948     
1 1 1 8  22 28 o 0 1.8    4.7   ?    ?   92.9259  -45.5118     5.53732    134.488      57.5383     134.488      
1 1 1 8  22 29 o 0 29.4   5.5   ?    ?   302.717  -128.428     115.433    -128.428     42.0571     51.5722      
1 1 1 8  22 30 o 0 144.8  13.7  ?    ?   500.971  -77.2571     355.003    -77.2571     98.4082     -77.2571     
1 1 1 8  22 31 o 0 16.2   6.7   ?    ?   192.624  -179.877     86.1804    -179.877     1.98382     0.122877     
1 1 1 8  23 0  o 0 351.9  34.3  ?    ?   767.996  180          500.082    180          25.2248     -180         
1 1 1 8  23 1  o 0 134.6  11    ?    ?   562.412  17.461       246.811    17.461       100.617     -162.539     
1 1 1 8  23 2  o 0 31     5.9   ?    ?   173.992  -127.264     85.038     -127.264     22.2853     52.7355      
1 1 1 8  23 3  o 0 126.2  12.7  ?    ?   528.792  4.41421      244.436    4.41421      81.0746     -175.586     
1 1 1 8  23 4  f 1 269.5  25.1  ?    ?   406.455  14.916       583.424    14.916       334.504     14.916       
1 1 1 8  23 5  f 1 272.7  24.8  ?    ?   601.788  149.019      490.242    149.019      130.22      149.019      
1 1 1 8  23 6  o 0 86.6   10.7  ?    ?   301.003  89.5742      265.484    89.5742      85.5853     89.5742      
1 1 1 8  23 7  o 0 12.3   5.1   ?    ?   79.7103  85.5361      0.42979    85.5361      47.0185     -94.4639     
1 1 1 8  23 8  o 0 121.4  10.6  ?    ?   386.929  139.153      313.631    139.153      84.3408     139.153      
1 1 1 8  23 9  o 0 632.1  42.1  ?    ?   806.887  -126.617     810.144    -126.617     334.347     -126.617     
1 1 1 8  23 10 o 0 92.5   8.4   ?    ?   369.439  173.927      246.164    173.927      29.4868     173.927      
1 1 1 8  23 11 o 0 36     4.7   ?    ?   185.185  38.4872      133.665    38.4872      31.4518     38.4872      
1 1 1 8  23 12 o 0 116.1  13.7  ?    ?   376.045  112.705      312.283    112.705      106.019     112.705      
1 1 1 8  23 13 f 1 289    26.9  ?    ?   451.035  -40.7017     585.49     -40.7017     340.38      -40.7017     
1 1 1 8  23 14 o 0 60     9.6   ?    ?   383.834  -104.455     160.867    -104.455     39.4573     75.5451      
1 1 1 8  23 15 f 1 -1.8   6.2   ?    ?   124.078  -161.396     38.4717    18.6043      102.573     18.6043      
1 1 1 8  23 16 o 0 37.9   9.3   ?    ?   358.254  172.551      87.8519    172.551      96.2163     -7.4489      
1 1 1 8  23 17 o 0 195.1  20.2  ?    ?   393.486  -160.78      460.506    -160.78      262.833     -160.78      
1 1 1 8  23 18 o 0 88.2   10.3  ?    ?   429.322  -5.64809     221.276    -5.64809     7.53648     -5.64809     
1 1 1 8  23 19 o 0 13.3   6.4   ?    ?   48.3282  64.8022      19.1237    64.8022      5.80966     -115.198     
1 1 1 8  23 20 o 0 18.4   7     ?    ?   63.5146  14.5746      53.6923    14.5746      13.4311     14.5746      
1 1 1 8  23 21 f 1 124.2  15    ?    ?   377.723  161.174      384.647    161.174      143.571     161.174      
1 1 1 8  23 22 o 0 143.6  19.8  ?    ?   514.2    102.687      338.446    102.687      13.0347     102.687      
1 1 1 8  23 23 o 0 18.9   7.2   ?    ?   61.228   -178.519     74.8083    -178.519     36.4224     -178.519     
1 1 1 8  23 24 o 0 1.9    7.6   ?    ?   75.8623  -150.436     3.86084    -150.436     42.1048     29.5636      
1 1 1 8  23 25 o 0 44.4   9.2   ?    ?   323.515  94.9091      151.787    94.9091      41.7592     -85.0909     
1 1 1 8  23 26 o 0 138.1  13.9  ?    ?   449.614  104.921      367.677    104.921      109.564     104.921      
1 1 1 8  23 27 o 0 16.5   4.5   ?    ?   196.26   -56.8234     82.0009    -56.8234     27.8583     123.177      
1 1 1 8  23 28 o 0 3.7    4.3   ?    ?   102.268  -146.902     9.02133    -146.902     44.2283     33.0975      
1 1 1 8  23 29 o 0 9.8    6.5   ?    ?   173.88   -26.973      51.997     -26.973      29.0019     153.027      
1 1 1 8  24 0  o 0 121    14.4  ?    ?   437.866  180          288.393    180          27.4071     180          
1 1 1 8  24 1  o 0 7.7    5.5   ?    ?   125.166  -92.0801     26.2091    87.9199      100.766     87.9199      
1 1 1 8  24 2  o 0 51.4   8.2   ?    ?   150.466  -16.293      183.358    -16.293      93.8395     -16.293      
1 1 1 8  24 3  o 0 147.3  14.3  ?    ?   519.183  -52.2932     302.407    -52.2932     5.92755     127.707      
1 1 1 8  24 4  o 0 272.4  24.9  ?    ?   575.409  -156.751     496.235    -156.751     155.304     -156.751     
1 1 1 8  24 5  o 0 580.8  41.5  ?    ?   853.847  77.0179      756.352    77.0179      278.835     77.0179      
1 1 1 8  24 6  o 0 137.2  13.5  ?    ?   562.834  88.9185      273.453    88.9185      40.2572     -91.0815     
1 1 1 8  24 7  o 0 9.8    5.2   ?    ?   80.9606  -19.262      3.00261    160.738      47.9543     160.738      
1 1 1 8  24 8  o 0 26.6   5.4   ?    ?   161.352  174.078      89.3074    174.078      0.108136    174.078      
1 1 1 8  24 9  o 0 99.2   9.1   ?    ?   376.972  25.3256      272.473    25.3256      65.0744     25.3256      
1 1 1 8  24 10 o 0 15.3   4.2   ?    ?   288.768  -138.129     5.40811    41.8711      163.442     41.8711      
1 1 1 8  24 11 o 0 15.4   3.5   ?    ?   48.597   28.0233      19.1943    28.0233      6.31765     -151.977     
1 1 1 8  24 12 o 0 187.5  19.2  ?    ?   657.564  -174.244     327.482    -174.244     15.5842     5.75586      
1 1 1 8  24 13 o 0 444.5  39.3  ?    ?   903.89   -169.449     555.864    -169.449     87.415      -169.449     
1 1 1 8  24 14 o 0 36.4   9.1   ?    ?   237.173  -45.1691     134.154    -45.1691     13.8021     -45.1691     
1 1 1 8  24 15 o 0 15.6   6.4   ?    ?   72.3083  37.6414      29.4896    37.6414      6.92492     -142.359     
1 1 1 8  24 16 o 0 14     6.2   ?    ?   106.134  -165.092     27.9507    -165.092     25.0685     14.9078      
1 1 1 8  24 17 o 0 102.6  11.8  ?    ?   461.581  -101.643     288.6      -101.643     8.22136     78.3565      
1 1 1 8  24 18 o 0 15.8   6.6   ?    ?   95.5727  -48.4203     52.8613    -48.4203     8.04385     131.58       
1 1 1 8  24 19 o 0 18.5   7.8   ?    ?   102.788  108.062      86.3018    108.062      20.115      108.062      
1 1 1 8  24 20 o 0 3.3    7.1   ?    ?   55.9391  -71.1293     0.483254   108.871      36.1428     108.871      
1 1 1 8  24 21 o 0 85.8   11.7  ?    ?   331.93   64.3006      298.274    64.3006      88.4446     64.3006      
1 1 1 8  24 22 o 0 44.6   9.1   ?    ?   386.984  50.5375      121.967    50.5375      114.703     -129.462     
1 1 1 8  24 23 o 0 36.8   8.4   ?    ?   319.245  -56.4588     123.532    -56.4588     69.4485     123.541      
1 1 1 8  24 24 o 0 3.6    7.5   ?    ?   71.4653  -159.97      11.94      -159.97      29.5581     20.0305      
1 1 1 8  24 25 o 0 7.9    7     ?    ?   107.406  53.5719      36.9115    53.5719      23.9679     -126.428     
1 1 1 8  24 26 o 0 16.3   6.8   ?    ?   276.265  14.6982      31.283     14.6982      123.232     -165.302     
1 1 1 8  24 27 o 0 39.9   8.3   ?    ?   365.789  57.4602      125.62     57.4602      64.7831     -122.54      
1 1 1 8  24 28 o 0 12.9   4.2   ?    ?   90.5116  152.912      99.2057    152.912      57.0326     152.912      
1 1 1 8  25 0  o 0 16.1   9.6   ?    ?   44.0809  -2.15359e-13 13.8849    0            10.5626     180          
1 1 1 8  25 1  o 0 7.7    8.1   ?    ?   103.315  -2.71857     8.2951     177.281      65.5735     177.281      
1 1 1 8  25 2  o 0 18.7   6.7   ?    ?   60.1036  -32.9375     25.6995    -32.9375     7.59012     147.063      
1 1 1 8  25 3  o 0 24.1   6.9   ?    ?   256.036  130.984      57.6901    130.984      83.902      -49.0158     
1 1 1 8  25 4  o 0 196.5  16.2  ?    ?   439.639  -36.4563     450.399    -36.4563     207.782     -36.4563     
1 1 1 8  25 5  o 0 14.9   5.7   ?    ?   135.28   -106.775     28.8075    -106.775     43.0269     73.2255      
1 1 1 8  25 6  o 0 13.5   7.8   ?    ?   91.152   154.035      18.4357    154.035      29.8131     -25.9647     
1 1 1 8  25 7  o 0 26.1   8.9   ?    ?   142.108  162.226      87.7315    162.226      12.7873     162.226      
1 1 1 8  25 8  o 0 53.7   7.1   ?    ?   323.667  114.828      167.731    114.828      2.24823     -65.172      
1 1 1 8  25 9  o 0 1.3    4.4   ?    ?   60.4381  116.485      19.2165    -63.515      50.8083     -63.515      
1 1 1 8  25 10 o 0 90.2   8.6   ?    ?   468.781  58.3234      210.674    58.3234      33.0996     -121.677     
1 1 1 8  25 11 o 0 13.9   4.1   ?    ?   75.2011  -59.7068     27.234     -59.7068     11.112      120.293      
1 1 1 8  25 12 o 0 137.8  19.7  ?    ?   524.436  88.0591      291.11     88.0591      25.3291     88.0591      
1 1 1 8  25 13 o 0 147.4  16.6  ?    ?   620.2    115.124      266.491    115.124      45.7514     -64.8755     
1 1 1 8  25 14 o 0 189.6  18.5  ?    ?   562.422  -40.9171     360.152    -40.9171     66.0179     -40.9171     
1 1 1 8  25 15 o 0 7.4    6.3   ?    ?   132.707  133.828      2.75706    -46.172      88.2373     -46.172      
1 1 1 8  25 16 o 0 41.4   7.8   ?    ?   171.804  -44.5872     221.254    -44.5872     109.271     -44.5872     
1 1 1 8  25 17 o 0 38.3   8.2   ?    ?   209.828  -90.5876     188.476    -90.5876     52.8746     -90.5876     
1 1 1 8  25 18 o 0 27.6   7.3   ?    ?   269.255  133.49       101.825    133.49       70.6108     -46.5104     
1 1 1 8  25 19 f 1 4.8    6.6   ?    ?   125.179  70.2466      1.0881     -109.753     80.4608     -109.753     
1 1 1 8  25 20 o 0 10.6   7     ?    ?   159.444  87.9951      35.8338    87.9951      62.3269     -92.0049     
1 1 1 8  25 21 f 1 1.9    7.7   ?    ?   111.786  150.747      0.787371   150.747      67.1309     -29.2532     
1 1 1 8  25 23 o 0 15.2   7     ?    ?   149.149  -41.2773     73.4032    -41.2773     12.9442     138.723      
1 1 1 8  25 24 o 0 -2.7   7.3   ?    ?   54.3891  172.071      0.268785   -7.92862     31.0205     -7.92862     
1 1 1 8  25 25 o 0 34.5   8.1   ?    ?   304.731  -141.961     133.221    -141.961     27.3073     38.0394      
1 1 1 8  25 26 o 0 56.2   8.9   ?    ?   287.214  -34.2899     242.992    -34.2899     107.406     -34.2899     
1 1 1 8  26 0  o 0 66.3   13.5  ?    ?   171.52   180          187.835    180          97.6956     -180         
1 1 1 8  26 1  o 0 81.2   11.2  ?    ?   492.12   -2.96626     174.615    -2.96626     83.9826     177.034      
1 1 1 8  26 2  o 0 -13.3  8.4   ?    ?   71.2094  -59.5485     25.253     120.451      62.6449     120.451      
1 1 1 8  26 3  o 0 90     9.7   ?    ?   353.193  157.778      263.893    157.778      78.6758     157.778      
1 1 1 8  26 4  o 0 109.6  13.3  ?    ?   249.635  -79.4527     358.65     -79.4527     229.799     -79.4527     
1 1 1 8  26 5  o 0 163.3  14    ?    ?   505.015  -89.4576     364.441    -89.4576     104.41      -89.4576     
1 1 1 8  26 6  o 0 10.6   5.7   ?    ?   143.737  -53.6965     9.05648    -53.6965     64.7322     126.303      
1 1 1 8  26 7  o 0 16.4   8     ?    ?   104.136  60.8857      40.17      60.8857      13.101      -119.114     
1 1 1 8  26 8  o 0 43.1   7.1   ?    ?   421.051  -9.1595      89.5242    -9.1595      124.998     170.84       
1 1 1 8  26 9  o 0 63.7   7.9   ?    ?   371.79   -113.981     181.697    -113.981     6.86606     66.0186      
1 1 1 8  26 10 o 0 54.7   8     ?    ?   365.559  104.414      149.362    104.414      43.6224     -75.5856     
1 1 1 8  26 11 o 0 8.9    3.8   ?    ?   46.2574  -76.9504     6.7485     -76.9504     23.3892     103.05       
1 1 1 8  26 12 o 0 17.2   8.8   ?    ?   133.558  57.0545      65.1458    57.0545      21.3444     -122.946     
1 1 1 8  26 13 o 0 71.9   9.6   ?    ?   321.737  0.00644335   271.452    0.00644335   60.2942     0.00644335   
1 1 1 8  26 14 o 0 21.3   7     ?    ?   151.125  33.3392      109.305    33.3392      10.8178     33.3392      
1 1 1 8  26 15 o 0 -0.4   6.4   ?    ?   126.918  166.324      29.7334    -13.6761     111.823     -13.6761     
1 1 1 8  26 16 o 0 10.5   6.7   ?    ?   201.984  25.1135      13.6052    25.1135      116.274     -154.887     
1 1 1 8  26 17 o 0 21.5   6.8   ?    ?   194.897  3.94418      98.2353    3.94418      26.0184     -176.056     
1 1 1 8  26 18 o 0 46.3   8     ?    ?   129.792  66.3919      256.73     66.3919      176.513     66.3919      
1 1 1 8  26 19 o 0 -2.2   6.5   ?    ?   72.2371  -63.0831     11.7458    116.917      55.9651     116.917      
1 1 1 8  26 20 o 0 4.9    7.4   ?    ?   62.82    -153.207     15.3673    -153.207     21.6495     26.7931      
1 1 1 8  26 21 o 0 41.1   8.8   ?    ?   267.727  -131.366     172.646    -131.366     16.5595     -131.366     
1 1 1 8  26 22 o 0 7.3    6.9   ?    ?   40.912   2.17312      21.6178    2.17312      1.70137     -177.827     
1 1 1 8  26 23 o 0 63.7   9.4   ?    ?   415.724  119.692      196.695    119.692      24.3157     -60.3083     
1 1 1 8  26 24 o 0 16.3   7.8   ?    ?   152.027  0.332029     87.5177    0.332029     7.68508     0.332029     
1 1 1 8  26 25 o 0 19.2   7.8   ?    ?   213.886  117.158      94.859     117.158      5.84437     -62.8422     
1 1 1 8  27 0  o 0 14.7   10.2  ?    ?   292.214  180          64.5582    180          84.0624     -5.65752e-14 
1 1 1 8  27 1  o 0 51.6   11.2  ?    ?   269.138  170.174      179.789    170.174      42.8876     170.174      
1 1 1 8  27 2  o 0 -0.2   8.2   ?    ?   32.5576  -114.924     4.00668    65.0759      21.3238     65.0759      
1 1 1 8  27 3  o 0 0.9    6.3   ?    ?   29.8742  -152.441     5.53076    27.5591      21.4032     27.5591      
1 1 1 8  27 4  o 0 165    16.6  ?    ?   660.172  -91.7027     270.941    -91.7027     79.2263     88.2973      
1 1 1 8  27 5  o 0 40.4   7     ?    ?   329.216  63.6002      114.616    63.6002      59.6132     -116.4       
1 1 1 8  27 6  o 0 -2.4   6     ?    ?   58.0217  23.5153      20.0055    -156.485     58.0058     -156.485     
1 1 1 8  27 7  o 0 20.2   10.3  ?    ?   68.2825  -85.8851     63.4446    -85.8851     18.8741     -85.8851     
1 1 1 8  27 8  o 0 -2     7.8   ?    ?   153.334  101.742      41.7739    -78.2576     141.472     -78.2576     
1 1 1 8  27 9  o 0 51.3   8.1   ?    ?   318.243  15.0634      195.742    15.0634      14.4118     -164.937     
1 1 1 8  27 10 o 0 48.7   6.9   ?    ?   352.782  -129.821     164.786    -129.821     67.0268     50.1789      
1 1 1 8  27 11 o 0 18.9   4.5   ?    ?   60.1739  131.417      78.1062    131.417      38.7814     131.417      
1 1 1 8  27 12 o 0 18.9   7     ?    ?   264.02   -138.728     45.6748    -138.728     125.84      41.2716      
1 1 1 8  27 13 o 0 19.6   7.5   ?    ?   138.533  64.4876      101.261    64.4876      11.6517     64.4876      
1 1 1 8  27 14 o 0 110.5  12.5  ?    ?   390.164  122.874      342.723    122.874      92.1072     122.874      
1 1 1 8  27 15 o 0 6.8    6.2   ?    ?   136.308  -94.2987     13.5306    -94.2987     71.4807     85.7013      
1 1 1 8  27 16 o 0 70     9.7   ?    ?   417.584  149.286      205.528    149.286      52.8237     -30.7144     
1 1 1 8  27 17 o 0 243.7  22.5  ?    ?   533.335  -24.538      533.291    -24.538      206.134     -24.538      
1 1 1 8  27 18 o 0 72.8   9.5   ?    ?   454.774  -14.4475     197.208    -14.4475     71.6095     165.552      
1 1 1 8  27 19 o 0 10.7   7.7   ?    ?   121.577  -174.607     55.2722    -174.607     15.0996     5.39287      
1 1 1 8  27 20 o 0 26.7   7.4   ?    ?   185.471  -16.6196     144.788    -16.6196     38.5156     -16.6196     
1 1 1 8  27 21 o 0 22.7   8.4   ?    ?   216.271  -141.477     106.314    -141.477     9.39205     38.5229      
1 1 1 8  27 22 o 0 97.8   12    ?    ?   417.789  83.0426      292.891    83.0426      71.8698     83.0426      
1 1 1 8  27 23 o 0 23.6   7.7   ?    ?   233.716  109.619      115.741    109.619      4.76167     109.619      
1 1 1 8  28 1  o 0 34     10.2  ?    ?   62.5036  -9.07725     153.805    -9.07725     112.503     -9.07725     
1 1 1 8  28 2  o 0 4.3    6.4   ?    ?   120.627  59.8841      8.00328    -120.116     87.69       -120.116     
1 1 1 8  28 3  o 0 25.5   6.8   ?    ?   142.358  49.5875      145.094    49.5875      51.1353     49.5875      
1 1 1 8  28 4  o 0 5.2    6.2   ?    ?   269.397  -44.1481     61.0413    135.852      238.585     135.852      
1 1 1 8  28 5  o 0 155.3  16    ?    ?   491.871  -179.987     404.476    -179.987     80.981      -179.987     
1 1 1 8  28 6  o 0 -8     5.8   ?    ?   150.816  101.948      64.8152    -78.0522     163.743     -78.0522     
1 1 1 8  28 7  o 0 6.7    6.1   ?    ?   39.9388  0.693017     5.73768    0.693017     20.3765     -179.307     
1 1 1 8  28 8  o 0 41.1   9.4   ?    ?   243.087  170.014      187.003    170.014      28.3055     170.014      
1 1 1 8  28 9  o 0 49.7   10.2  ?    ?   256.538  -13.1554     216.444    -13.1554     49.6822     -13.1554     
1 1 1 8  28 10 o 0 29.8   6.5   ?    ?   249.009  -96.0711     129.275    -96.0711     31.8126     83.9289      
1 1 1 8  28 11 o 0 -2.3   4.4   ?    ?   79.4298  103.492      29.3897    -76.5077     80.4993     -76.5077     
1 1 1 8  28 12 o 0 65.8   6.8   ?    ?   306.094  -114.132     261.025    -114.132     69.4787     -114.132     
1 1 1 8  28 13 o 0 254.3  23.7  ?    ?   549.148  80.6924      552.626    80.6924      211.181     80.6924      
1 1 1 8  28 14 f 1 47.4   8.5   ?    ?   414.196  46.0265      120.547    46.0265      134.55      -133.973     
1 1 1 8  28 15 o 0 15.2   6.6   ?    ?   150.348  -69.8277     76.8356    -69.8277     12.7665     110.172      
1 1 1 8  28 16 o 0 10.5   6.9   ?    ?   186.9    -153.197     29.0052    -153.197     81.4937     26.8033      
1 1 1 8  28 17 f 1 158.7  16.1  ?    ?   364.958  -131.142     469.613    -131.142     258.641     -131.142     
1 1 1 8  28 18 o 0 17.7   7.9   ?    ?   109.018  -58.0432     99.6923    -58.0432     37.0794     -58.0432     
1 1 1 8  28 19 o 0 0.8    7.7   ?    ?   131.236  42.4877      10.7609    42.4877      59.6927     -137.512     
1 1 1 8  28 20 o 0 0.6    7.7   ?    ?   34.1431  -31.7855     18.4783    -31.7855     1.99872     -31.7855     
1 1 1 8  28 21 o 0 37.4   9.6   ?    ?   305.472  -39.591      154.412    -39.591      8.54136     -39.591      
1 1 1 8  29 0  o 0 93.9   30.2  ?    ?   298.146  180          251.942    180          58.5529     -180         
1 1 1 8  29 1  o 0 53     8.7   ?    ?   347.594  14.254       181.574    14.254       44.0177     -165.746     
1 1 1 8  29 2  o 0 6.4    6.6   ?    ?   82.9399  -62.9695     12.0366    -62.9695     41.7888     117.03       
1 1 1 8  29 3  o 0 44.3   8.4   ?    ?   181.132  0.813517     231.595    0.813517     114.126     0.813517     
1 1 1 8  29 4  o 0 56.6   8.7   ?    ?   450.247  -20.7688     134.187    -20.7688     157.434     159.231      
1 1 1 8  29 5  o 0 170.3  16.8  ?    ?   577.435  -114.111     375.358    -114.111     2.06216     -114.111     
1 1 1 8  29 6  f 1 47.3   8.2   ?    ?   337.258  136.39       169.373    136.39       42.8434     -43.6102     
1 1 1 8  29 7  o 0 4.5    5.9   ?    ?   96.3408  -0.201086    4.3529     -0.201086    56.2404     179.799      
1 1 1 8  29 8  o 0 45.3   11.3  ?    ?   272.233  108.592      187.754    108.592      17.1496     108.592      
1 1 1 8  29 9  o 0 70.9   15.2  ?    ?   270.375  172.896      279.338    172.896      110.602     172.896      
1 1 1 8  29 10 o 0 22     6.6   ?    ?   190.88   -78.9459     112.299    -78.9459     6.26629     101.054      
1 1 1 8  29 11 o 0 -1.7   4.3   ?    ?   120.172  -86.2345     35.8555    93.7655      108.06      93.7655      
1 1 1 8  29 12 o 0 28.7   5.1   ?    ?   268.894  -47.2904     122.673    -47.2904     37.9556     132.71       
1 1 1 8  29 13 o 0 6      6.7   ?    ?   152.966  9.80741      16.8039    9.80742      72.9681     -170.193     
1 1 1 8  29 14 o 0 35.8   7.8   ?    ?   320.782  139.825      128.44     139.825      58.5286     -40.1748     
1 1 1 8  29 15 o 0 3.2    6.7   ?    ?   58.3226  -13.259      11.1076    -13.259      22.6348     166.741      
1 1 1 8  29 16 o 0 12.7   8.2   ?    ?   193.31   -171.775     53.6252    -171.775     51.0855     8.2245       
1 1 1 8  29 17 o 0 -0.7   6.5   ?    ?   88.0848  138.732      4.16328    138.732      43.1462     -41.2677     
1 1 1 8  29 18 f 1 15     8.3   ?    ?   110.287  -17.4892     102.098    -17.4892     48.9212     -17.4892     
1 1 1 8  29 19 o 0 11.4   8.4   ?    ?   138.288  -129.358     74.3745    -129.358     8.16167     -129.358     
1 1 1 8  30 1  o 0 14.3   9.4   ?    ?   139.207  145.373      65.4059    145.373      21.1422     -34.6274     
1 1 1 8  30 2  o 0 -1.2   5.9   ?    ?   58.2377  -120.607     7.55638    59.3926      42.7696     59.3926      
1 1 1 8  30 3  o 0 3.4    6.2   ?    ?   80.3809  -116.479     5.68916    -116.479     42.8891     63.5208      
1 1 1 8  30 4  o 0 32.5   10.4  ?    ?   161.817  -178.398     172.636    -178.398     74.9495     -178.398     
1 1 1 8  30 5  o 0 52.1   8.8   ?    ?   340.275  1.25436      188.476    1.25436      16.5927     -178.746     
1 1 1 8  30 6  o 0 11.4   6.5   ?    ?   122.673  -135.8       53.569     -135.8       20.1906     44.2001      
1 1 1 8  30 7  o 0 7.6    6     ?    ?   165.12   -20.1072     14.8197    -20.1072     84.176      159.893      
1 1 1 8  30 8  o 0 37.3   8     ?    ?   214.588  -15.2961     186.936    -15.2961     58.7263     -15.2961     
1 1 1 8  30 10 o 0 11.8   5.5   ?    ?   229.046  129.747      26.9684    129.747      107.169     -50.2528     
1 1 1 8  30 11 o 0 9.7    4.7   ?    ?   60.1138  -174.193     40.3188    -174.193     5.29491     -174.193     
1 1 1 8  30 12 o 0 8.6    4     ?    ?   87.38    -125.722     50.0649    -125.722     2.29256     -125.722     
1 1 1 8  30 13 f 1 40.1   9.9   ?    ?   255.619  0.458013     180.817    0.458013     42.2933     0.458013     
1 1 1 8  30 14 o 0 -2.8   10.5  ?    ?   76.4845  85.4895      20.493     85.4895      20.78       -94.5105     
1 1 1 8  30 15 o 0 -2.1   7.7   ?    ?   88.0205  133.054      21.1676    133.054      21.6557     -46.946      
1 1 1 8  30 16 o 0 5.1    7     ?    ?   176.852  106.528      26.2208    106.528      59.143      -73.4721     
1 1 1 8  31 0  o 0 16.8   8.9   ?    ?   65.5253  -2.18146e-13 52.7731    0            14.4887     5.76421e-13  
1 1 1 8  31 1  f 1 12.8   9.3   ?    ?   149.631  -3.62397     64.0333    -3.62397     23.2517     176.376      
1 1 1 8  31 2  o 0 -1.1   6.4   ?    ?   45.0669  140.818      0.490854   -39.1825     26.8565     -39.1825     
1 1 1 8  31 3  o 0 49     8.6   ?    ?   249.082  122.429      223.572    122.429      77.8947     122.429      
1 1 1 8  31 4  o 0 52.8   9.1   ?    ?   259.165  80.42        232.024    80.42        80.589      80.42        
1 1 1 8  31 5  o 0 14.4   6.4   ?    ?   159.182  8.31373      72.1589    8.31373      20.7115     -171.686     
1 1 1 8  31 6  o 0 2.1    6.3   ?    ?   135.523  -39.1921     7.22167    -39.1921     67.2378     140.808      
1 1 1 8  31 7  o 0 13.3   7.8   ?    ?   30.5465  151.816      43.5781    151.816      26.8409     151.816      
1 1 1 8  31 8  o 0 47.7   10.5  ?    ?   321.955  -170.159     181.115    -170.159     5.29232     -170.159     
1 1 1 8  31 9  o 0 38.6   17.4  ?    ?   177.657  76.4339      159.607    76.4339      62.9645     76.4339      
1 1 1 8  31 10 o 0 11.5   5.8   ?    ?   189.767  -12.2824     62.9045    -12.2824     30.4346     167.718      
1 1 1 8  31 11 f 1 8.2    5.2   ?    ?   73.8324  119.599      58.539     119.599      22.4991     119.599      
1 1 1 8  31 12 o 0 34.9   5.9   ?    ?   270.832  -60.6722     175.739    -60.6722     43.938      -60.6722     
1 1 1 8  32 0  o 0 6.7    9.7   ?    ?   28.3604  180          14.7629    180          0.879833    -180         
1 1 1 8  32 2  o 0 8.6    8.5   ?    ?   66.4686  124.784      63.9085    124.784      31.3156     124.784      
1 1 1 8  32 3  o 0 37.2   7.8   ?    ?   282.541  9.03642      176.641    9.03642      38.1137     9.03642      
1 1 1 8  32 4  o 0 12.7   6.7   ?    ?   116.296  -46.0151     90.8461    -46.0151     33.8696     -46.0151     
1 1 1 8  32 5  o 0 5.3    6.7   ?    ?   142.25   -167.17      37.0233    -167.17      32.5737     12.8296      
1 1 1 8  32 6  o 0 -1.2   6     ?    ?   22.4331  -126.725     5.90841    -126.725     5.04545     53.2754      
1 1 1 8  32 7  o 0 -1     6.1   ?    ?   59.0301  81.2948      13.3833    81.2948      15.3663     -98.7052     
1 1 1 9  0  1  o 0 22.2   2.3   ?    ?   25.342   90           11.4612    90           6.61849     -90          
1 1 1 9  0  3  o 0 135.8  12.7  ?    ?   76.336   90           197.71     90           141.25      90           
1 1 1 9  0  4  o 0 109.2  10.2  ?    ?   265.337  0            318.295    0            124.143     0            
1 1 1 9  0  5  o 0 106.3  10    ?    ?   597.432  -90          327.952    -90          104.89      90           
1 1 1 9  0  6  o 0 1537.5 140.4 ?    ?   1828.2   180          1221.64    180          91.0173     5.7009e-14   
1 1 1 9  0  7  o 0 202.9  18.8  ?    ?   864.779  -90          445.264    -90          170.626     90           
1 1 1 9  0  8  o 0 75     7.3   ?    ?   448.902  1.11429e-14  265.549    0            51.8165     -180         
1 1 1 9  0  9  o 0 46.7   4.9   ?    ?   248.804  -90          169.174    -90          5.5503      90           
1 1 1 9  0  10 o 0 74.7   7.4   ?    ?   372.184  1.63536e-15  278.516    0            5.2938      -8.44037e-14 
1 1 1 9  0  11 o 0 1124.5 119   ?    ?   1326.07  90           1077.34    90           109.619     90           
1 1 1 9  0  12 o 0 183.6  24.4  ?    ?   405.954  -1.77634e-14 438.159    0            143.616     3.64312e-14  
1 1 1 9  0  13 o 0 56.6   7.3   ?    ?   387.384  90           234.507    90           44.9399     -90          
1 1 1 9  0  14 o 0 63.9   8.2   ?    ?   402.625  -180         250.808    180          37.9159     6.73646e-14  
1 1 1 9  0  15 o 0 120    14    ?    ?   594.242  -90          349.94     -90          73.5683     90           
1 1 1 9  0  16 o 0 169    18.9  ?    ?   283.549  180          385.746    180          195.167     180          
1 1 1 9  0  17 o 0 80.5   10.2  ?    ?   395.069  -90          263.65     -90          0.0464932   90           
1 1 1 9  0  18 o 0 23.7   6.2   ?    ?   269.011  1.90119e-15  100.757    0            77.4702     -180         
1 1 1 9  0  20 o 0 722.8  66.6  ?    ?   1375.71  -180         781.762    180          124.277     4.44561e-14  
1 1 1 9  0  21 o 0 153.6  15.7  ?    ?   524.383  -90          331.823    -90          14.4821     -90          
1 1 1 9  0  22 o 0 252.6  24.6  ?    ?   585.885  180          421.352    180          70.2551     180          
1 1 1 9  0  23 f 1 307.5  29.7  ?    ?   757.509  -90          459.883    -90          10.4551     -90          
1 1 1 9  0  24 o 0 1125.1 119.8 ?    ?   1464.87  3.52072e-16  861.46     0            0.211591    -180         
1 1 1 9  0  25 o 0 66.8   13.2  ?    ?   510.968  90           205.748    90           90.6316     -90          
1 1 1 9  0  26 o 0 41.6   24.2  ?    ?   7.27058  180          3.88556    180          0.278972    9.77296e-14  
1 1 1 9  0  27 o 0 182.7  22.6  ?    ?   479.443  90           336.364    90           62.2404     90           
1 1 1 9  0  28 o 0 519.3  57.4  ?    ?   1359.41  180          592.102    180          222.788     1.26321e-14  
1 1 1 9  0  29 o 0 26.3   12.3  ?    ?   124.393  -90          52.9647    -90          21.2708     90           
1 1 1 9  0  30 o 0 299.8  35.5  ?    ?   646.442  -4.68476e-15 436.716    0            64.4892     2.70401e-14  
1 1 1 9  0  31 o 0 42.1   13.2  ?    ?   2.6375   90           2.74951    90           1.335       90           
1 1 1 9  0  32 o 0 551.3  61.7  ?    ?   926.563  -7.65929e-15 566.612    0            78.0217     4.79643e-14  
1 1 1 9  0  33 o 0 109.6  15.2  ?    ?   144.143  -90          237.491    -90          165.442     -90          
1 1 1 9  0  34 o 0 -8.5   10.2  ?    ?   37.6275  0            2.48535    0            15.7241     180          
1 1 1 9  0  35 o 0 60.4   13.6  ?    ?   290.063  -90          217.218    -90          38.4157     -90          
1 1 1 9  0  36 o 0 -2.6   11.2  ?    ?   57.3559  180          9.59203    180          25.767      -3.53577e-14 
1 1 1 9  0  37 o 0 49.6   13.4  ?    ?   231.102  90           184.304    90           44.4249     90           
1 1 1 9  0  38 o 0 16.3   9.5   ?    ?   125.675  180          66.3387    180          6.50821     -3.48059e-15 
1 1 1 9  0  39 o 0 8      10.2  ?    ?   220.486  90           52.5375    90           69.0337     -90          
1 1 1 9  0  40 o 0 -17.4  10    ?    ?   16.3639  0            1.6044     0            7.11568     180          
1 1 1 9  0  41 o 0 20.6   12.8  ?    ?   109.218  90           71.9947    90           18.3419     90           
1 1 1 9  1  0  o 0 4.4    1     ?    ?   194.791  -90          16.5084    -90          122.425     90           
1 1 1 9  1  1  o 0 220.4  14.3  ?    ?   687.775  49.1679      401.93     49.1679      82.868      -130.832     
1 1 1 9  1  2  o 0 1297.6 83.8  ?    ?   1329.69  -175.679     1249.84    -175.679     323.56      -175.679     
1 1 1 9  1  3  o 0 121.2  8     ?    ?   252.158  136.399      416.785    136.399      232.55      136.399      
1 1 1 9  1  5  o 0 62.7   4.3   ?    ?   293.576  34.81        196.226    34.81        13.9597     -145.19      
1 1 1 9  1  6  o 0 74.4   5.1   ?    ?   285.123  -65.4401     242.84     -65.4401     40.4739     -65.4401     
1 1 1 9  1  7  o 0 842.2  54.5  ?    ?   1019.12  179.718      1048.07    179.718      330.331     179.718      
1 1 1 9  1  8  o 0 62.7   4.4   ?    ?   255.873  134.961      202.06     134.961      23.1008     134.961      
1 1 1 9  1  9  o 0 59.6   4.5   ?    ?   275.589  101.88       183.305    101.88       8.24127     -78.1203     
1 1 1 9  1  10 o 0 459.3  32    ?    ?   893.652  60.237       721.5      60.237       71.8995     60.237       
1 1 1 9  1  11 o 0 1662.1 107.5 ?    ?   1697.25  -49.4589     1360.5     -49.4589     133.484     -49.4589     
1 1 1 9  1  12 o 0 15.6   2.5   ?    ?   149.166  132.897      10.5222    -47.1029     117.789     -47.1029     
1 1 1 9  1  13 o 0 17.9   2.9   ?    ?   104.187  -47.4979     5.16585    -47.4979     69.3575     132.502      
1 1 1 9  1  14 o 0 116.2  10.2  ?    ?   577.193  90.6738      238.906    90.6738      171.697     -89.3262     
1 1 1 9  1  16 o 0 179.3  14.1  ?    ?   619.956  -78.5983     352.942    -78.5983     60.7687     101.402      
1 1 1 9  1  17 o 0 53.6   5.3   ?    ?   204.849  -32.7705     177.57     -32.7705     41.7607     -32.7705     
1 1 1 9  1  18 o 0 151.1  12.1  ?    ?   624.732  -102.269     280.935    -102.269     130.335     77.7308      
1 1 1 9  1  19 o 0 1257.8 87.2  ?    ?   1888.38  65.0488      819.672    65.0488      414.057     -114.951     
1 1 1 9  1  20 o 0 93.2   8.3   ?    ?   417.174  -17.3241     236.204    -17.3241     36.9958     162.676      
1 1 1 9  1  21 o 0 21.7   4.1   ?    ?   194.423  -131.92      16.1269    -131.92      100.907     48.0804      
1 1 1 9  1  22 o 0 24.3   4.7   ?    ?   167.975  159.172      30.6506    159.171      69.5075     -20.8285     
1 1 1 9  1  23 o 0 684.3  44.9  ?    ?   1193.32  -78.1897     645.336    -78.1898     61.155      101.81       
1 1 1 9  1  24 o 0 116.9  11.9  ?    ?   622.655  27.6939      165.42     27.6939      199.229     -152.306     
1 1 1 9  1  25 o 0 268    22.4  ?    ?   642.102  161.36       438.702    161.36       67.7959     161.36       
1 1 1 9  1  26 o 0 40.9   9.3   ?    ?   378.698  145.853      56.3729    145.853      159.705     -34.1472     
1 1 1 9  1  27 o 0 148.8  14.7  ?    ?   620.987  -151.003     229.141    -151.003     124.631     28.9969      
1 1 1 9  1  28 f 1 68.5   10.9  ?    ?   179.799  112.948      228.474    112.948      120.227     112.948      
1 1 1 9  1  29 o 0 422.6  33.7  ?    ?   742.298  -50.8962     594.214    -50.8962     152.611     -50.8962     
1 1 1 9  1  30 o 0 18.3   8.7   ?    ?   201.485  175.921      19.0034    175.921      96.676      -4.07945     
1 1 1 9  1  31 o 0 555.4  40.1  ?    ?   1013.25  -86.563      613.992    -86.563      72.0445     -86.563      
1 1 1 9  1  32 o 0 151.5  14.1  ?    ?   582.812  146.205      276.823    146.205      29.736      -33.7952     
1 1 1 9  1  34 o 0 3.2    8.2   ?    ?   131.166  -46.7716     14.0941    133.228      77.4366     133.228      
1 1 1 9  1  35 o 0 36.1   8.6   ?    ?   170.137  152.981      177.174    152.981      72.4995     152.981      
1 1 1 9  1  36 o 0 145.2  15.1  ?    ?   439.184  -122.329     386.561    -122.329     116.286     -122.329     
1 1 1 9  1  37 o 0 91.7   10.8  ?    ?   359.445  -19.5032     289.344    -19.5032     72.128      -19.5032     
1 1 1 9  1  38 o 0 10     6.6   ?    ?   173.838  18.7988      24.999     18.7988      75.6217     -161.201     
1 1 1 9  1  39 o 0 -0.2   6.9   ?    ?   115      -150.676     8.17964    29.3241      71.5077     29.3241      
1 1 1 9  1  40 o 0 -8.8   7.6   ?    ?   198.213  55.0068      46.5888    -124.993     152.096     -124.993     
1 1 1 9  1  41 o 0 14.8   7.7   ?    ?   183.627  82.45        62.6725    82.45        27.4464     -97.55       
1 1 1 9  2  0  o 0 86.9   8.1   ?    ?   630.785  90           288.455    90           156.105     -90          
1 1 1 9  2  1  f 1 158.5  10.3  ?    ?   403.176  36.3444      431.719    36.3444      151.63      36.3444      
1 1 1 9  2  3  f 1 908.7  58.6  ?    ?   714.228  -65.498      1358.83    -65.498      844.37      -65.498      
1 1 1 9  2  4  o 0 213    13.9  ?    ?   508.096  -133.92      506.928    -133.92      143.776     -133.92      
1 1 1 9  2  5  f 1 66.1   4.5   ?    ?   233.94   -50.4722     222.059    -50.4721     56.8405     -50.4721     
1 1 1 9  2  6  o 0 312.4  20.4  ?    ?   723.926  -75.3901     550.499    -75.3901     42.1754     -75.3901     
1 1 1 9  2  7  o 0 131.2  9.3   ?    ?   617.568  93.7012      233.758    93.7012      196.691     -86.2988     
1 1 1 9  2  8  o 0 29.6   2.6   ?    ?   243.034  -76.1814     46.953     -76.1814     121.337     103.819      
1 1 1 9  2  10 o 0 339.8  22.2  ?    ?   986.255  -124.472     459.551    -124.472     250.77      55.5281      
1 1 1 9  2  12 o 0 51.9   4.7   ?    ?   553.003  -37.9335     24.6499    -37.9335     369.657     142.066      
1 1 1 9  2  13 o 0 54.7   5.6   ?    ?   261.037  -31.8334     185.106    -31.8334     0.0980048   148.167      
1 1 1 9  2  14 o 0 570    52.6  ?    ?   1319.28  -19.1063     553.917    -19.1063     377.313     160.894      
1 1 1 9  2  15 o 0 564.4  42.6  ?    ?   912.177  155.032      829.39     155.032      188.985     155.032      
1 1 1 9  2  16 o 0 223.5  16    ?    ?   708.059  76.6885      389.147    76.6885      80.0132     -103.312     
1 1 1 9  2  17 o 0 30.4   3.7   ?    ?   146.608  98.2988      65.7083    98.2988      30.8321     -81.7012     
1 1 1 9  2  18 f 1 62.6   5.7   ?    ?   259.279  105.459      204.344    105.459      35.1921     105.459      
1 1 1 9  2  19 o 0 64     6     ?    ?   405.358  25.4232      149.178    25.4232      114.027     -154.577     
1 1 1 9  2  20 o 0 615.7  43    ?    ?   1028.13  91.7968      741.772    91.7968      72.4101     91.7968      
1 1 1 9  2  21 f 1 8.4    3.8   ?    ?   144.267  -15.1081     44.5616    164.892      130.699     164.892      
1 1 1 9  2  22 o 0 25.4   5.2   ?    ?   98.0617  -5.30705     29.1932    -5.30705     29.1459     174.693      
1 1 1 9  2  23 o 0 105.4  9.1   ?    ?   752.056  -34.9911     67.551     -34.9911     375.451     145.009      
1 1 1 9  2  24 o 0 159.7  13.5  ?    ?   717.458  -71.5655     207.764    -71.5655     210.393     108.434      
1 1 1 9  2  25 o 0 414.9  32.9  ?    ?   766.25   -177.651     571.953    -177.651     131.346     -177.651     
1 1 1 9  2  26 o 0 268.4  21.1  ?    ?   755.88   94.4919      371.979    94.4919      57.4515     -85.5081     
1 1 1 9  2  27 o 0 123.3  14.1  ?    ?   488.036  -15.056      241.747    -15.056      35.146      164.944      
1 1 1 9  2  28 o 0 361.2  32.1  ?    ?   499.45   -4.9799      655.943    -4.9799      355.644     -4.9799      
1 1 1 9  2  29 o 0 81.3   9.6   ?    ?   334.976  -135.648     218.983    -135.648     20.4322     -135.648     
1 1 1 9  2  30 o 0 174    16.3  ?    ?   681.593  152.965      257.605    152.965      132.364     -27.0355     
1 1 1 9  2  31 o 0 117.3  12.2  ?    ?   518.053  -106.079     240.004    -106.079     36.1756     73.9208      
1 1 1 9  2  32 o 0 66.3   9.4   ?    ?   475.347  101.912      124.129    101.912      125.132     -78.0882     
1 1 1 9  2  33 o 0 317.9  26.2  ?    ?   740.26   33.6975      468.071    33.6975      99.9782     33.6975      
1 1 1 9  2  34 o 0 9.6    7.8   ?    ?   134.393  106.827      7.12277    106.827      57.6013     -73.1732     
1 1 1 9  2  35 f 1 72.2   9.8   ?    ?   154.322  61.3904      326.974    61.3904      232.517     61.3904      
1 1 1 9  2  36 o 0 124.9  13.6  ?    ?   433.011  91.3506      341.094    91.3506      75.2571     91.3506      
1 1 1 9  2  37 o 0 47.5   8.7   ?    ?   338.023  104.825      151.933    104.825      51.8798     -75.1753     
1 1 1 9  2  38 o 0 73.1   9.5   ?    ?   418.743  -56.6619     201.763    -56.6619     40.1075     123.338      
1 1 1 9  2  39 o 0 -0.5   7.6   ?    ?   53.497   166.162      1.323      166.162      28.0795     -13.838      
1 1 1 9  2  40 o 0 28     7.3   ?    ?   178.696  50.2985      142.881    50.2985      47.9337     50.2985      
1 1 1 9  2  41 o 0 72.1   9     ?    ?   405.751  -73.4337     231.82     -73.4337     51.2626     -73.4337     
1 1 1 9  3  0  o 0 8.5    1.3   ?    ?   86.693   90           15.2882    90           48.7826     -90          
1 1 1 9  3  1  o 0 54.7   3.7   ?    ?   336.371  85.2986      148.434    85.2986      97.3062     -94.7014     
1 1 1 9  3  2  o 0 2909.5 187.5 ?    ?   1998.1   -70.9411     1904.81    -70.9411     461.567     -70.9411     
1 1 1 9  3  3  o 0 209.9  13.7  ?    ?   283.664  80.4859      619.218    80.4859      416.527     80.4859      
1 1 1 9  3  4  o 0 104.6  6.9   ?    ?   416.939  83.7419      282.446    83.7419      12.5164     -96.2581     
1 1 1 9  3  6  o 0 1857.1 119.8 ?    ?   1814.9   57.4875      1323.36    57.4875      61.0793     57.4875      
1 1 1 9  3  7  o 0 206.8  13.6  ?    ?   273.374  -23.8389     595.044    -23.8389     406.25      -23.8389     
1 1 1 9  3  9  o 0 113.1  7.6   ?    ?   449.866  101.42       278.839    101.42       28.1798     -78.5797     
1 1 1 9  3  10 o 0 142.3  9.5   ?    ?   538.982  115.98       338.529    115.98       46.4166     -64.0198     
1 1 1 9  3  11 o 0 232.1  17.7  ?    ?   422.638  -123.252     616.949    -123.252     316.551     -123.252     
1 1 1 9  3  12 o 0 293.6  24.4  ?    ?   520.657  -78.2868     674.441    -78.2868     306.108     -78.2868     
1 1 1 9  3  13 f 1 16.4   3     ?    ?   105.937  -175.519     1.34773    4.48114      75.7468     4.48114      
1 1 1 9  3  14 o 0 191.5  16.3  ?    ?   657.873  -48.075      376.334    -48.075      84.6184     131.925      
1 1 1 9  3  15 o 0 1732.3 129.4 ?    ?   1695.59  -78.4485     1290.86    -78.4485     174.085     -78.4485     
1 1 1 9  3  16 o 0 81.2   6.5   ?    ?   396.244  152.555      216.022    152.555      44.7228     -27.4446     
1 1 1 9  3  17 o 0 65.2   5.4   ?    ?   357.946  88.6312      177.622    88.6312      56.515      -91.3688     
1 1 1 9  3  18 o 0 118.6  9.1   ?    ?   186.309  -12.8246     388.309    -12.8246     267.231     -12.8246     
1 1 1 9  3  19 o 0 760.6  57.2  ?    ?   1128     54.9478      844.189    54.9478      116.294     54.9478      
1 1 1 9  3  20 o 0 129.7  11.5  ?    ?   414.653  179.623      334.76     179.623      66.4107     179.623      
1 1 1 9  3  21 o 0 467.8  33    ?    ?   995.61   -109.388     529.756    -109.388     62.7958     70.6125      
1 1 1 9  3  22 o 0 18.4   4.7   ?    ?   232.961  -12.8658     8.90622    167.134      146.734     167.134      
1 1 1 9  3  23 o 0 195.2  15.3  ?    ?   676.481  -78.5479     300.649    -78.548      95.7152     101.452      
1 1 1 9  3  24 o 0 230.4  19.1  ?    ?   282.992  127.746      546.765    127.746      382.672     127.746      
1 1 1 9  3  25 o 0 396.1  34.3  ?    ?   1066.59  -16.2845     379.518    -16.2845     230.775     163.716      
1 1 1 9  3  26 o 0 155.8  16.5  ?    ?   511.261  -67.5288     301.517    -67.5288     12.4283     -67.5288     
1 1 1 9  3  27 f 1 359.5  31.6  ?    ?   1043.47  -9.31805     331.734    -9.31805     256.102     170.682      
1 1 1 9  3  28 o 0 352.6  28.6  ?    ?   626.927  166.864      572.513    166.865      197.203     166.865      
1 1 1 9  3  29 o 0 417.1  30.8  ?    ?   756.045  169.004      576.054    169.004      129.785     169.004      
1 1 1 9  3  30 o 0 15.1   6.5   ?    ?   174.96   5.5089       5.81801    5.5089       93.8858     -174.491     
1 1 1 9  3  31 o 0 58.7   8.2   ?    ?   282.633  67.0509      187.104    67.0509      37.0028     67.0509      
1 1 1 9  3  32 o 0 126.7  12.8  ?    ?   339.534  -92.9151     336.614    -92.9151     159.219     -92.9151     
1 1 1 9  3  33 o 0 51.4   9.4   ?    ?   305.804  -102.09      155.12     -102.09      3.58853     -102.09      
1 1 1 9  3  34 o 0 48.2   8.4   ?    ?   278.062  39.8864      158.161    39.8864      24.6912     39.8864      
1 1 1 9  3  35 o 0 21.5   7.7   ?    ?   91.4717  -40.8344     82.6365    -40.8344     26.6818     -40.8344     
1 1 1 9  3  36 o 0 36.9   8.1   ?    ?   278.294  68.9006      139.634    68.9006      30.7031     -111.099     
1 1 1 9  3  37 o 0 28.3   7.9   ?    ?   106.686  -132.005     151.093    -132.005     86.9514     -132.005     
1 1 1 9  3  38 o 0 26.9   10.2  ?    ?   161.009  -65.1423     129.012    -65.1423     36.2658     -65.1423     
1 1 1 9  3  39 o 0 0.5    7     ?    ?   139.715  9.39761      10.838     -170.602     87.4276     -170.602     
1 1 1 9  3  40 o 0 35.8   7.3   ?    ?   224.594  58.7527      161.243    58.7527      42.2027     58.7527      
1 1 1 9  3  41 o 0 -2.5   7.1   ?    ?   71.9136  -68.157      14.9382    -68.157      16.9882     111.843      
1 1 1 9  4  0  o 0 93.1   8.7   ?    ?   559.064  -90          309.428    -90          99.3239     90           
1 1 1 9  4  2  o 0 1276.4 88.2  ?    ?   1135.99  89.9107      1393.58    89.9107      581.054     89.9107      
1 1 1 9  4  3  o 0 318.3  22.1  ?    ?   698.263  122.73       581.918    122.73       87.6158     122.73       
1 1 1 9  4  5  o 0 113.2  7.5   ?    ?   698.821  141.534      131.619    141.534      354.164     -38.4661     
1 1 1 9  4  6  o 0 117.1  7.8   ?    ?   538.911  67.953       241.31     67.9529      130.439     -112.047     
1 1 1 9  4  7  o 0 375.7  24.5  ?    ?   819.509  14.2217      577.01     14.2217      15.5405     14.2217      
1 1 1 9  4  8  o 0 41.3   3.1   ?    ?   312.548  -108.336     87.4329    -108.336     125.413     71.6639      
1 1 1 9  4  10 o 0 38.3   3.1   ?    ?   378.857  -45.2803     58.8419    -45.2803     209.741     134.72       
1 1 1 9  4  11 o 0 471.3  35.5  ?    ?   633.001  -23.9365     888.511    -23.9365     441.859     -23.9365     
1 1 1 9  4  12 o 0 51.7   5.2   ?    ?   428.706  77.9165      96.5468    77.9165      204.574     -102.084     
1 1 1 9  4  13 f 1 5      2.5   ?    ?   157.884  -70.1555     77.9969    109.845      188.101     109.845      
1 1 1 9  4  14 o 0 135.9  10.7  ?    ?   396.909  65.2456      395.241    65.2456      119.05      65.2456      
1 1 1 9  4  15 o 0 234.2  18.1  ?    ?   663.407  166.079      433.588    166.079      2.42287     -13.9214     
1 1 1 9  4  16 o 0 357.6  25.3  ?    ?   792.836  -115.9       562.638    -115.9       44.3659     -115.9       
1 1 1 9  4  17 o 0 28.4   4.1   ?    ?   322.371  -97.2278     26.5899    -97.2278     182.915     82.7722      
1 1 1 9  4  18 f 1 17     3.8   ?    ?   101.449  47.1872      2.70814    47.1872      62.6363     -132.813     
1 1 1 9  4  19 o 0 1157.7 75.1  ?    ?   1480.87  -145.41      975.037    -145.41      15.2315     -145.41      
1 1 1 9  4  20 o 0 804    55.9  ?    ?   1225.11  -62.1044     809.293    -62.1044     21.2142     -62.1044     
1 1 1 9  4  21 o 0 126.8  10.9  ?    ?   516.738  42.3293      248.64     42.3293      57.1016     -137.671     
1 1 1 9  4  22 o 0 12.6   4.3   ?    ?   156.995  25.7896      26.6727    -154.21      119.027     -154.21      
1 1 1 9  4  23 f 1 992.7  81.8  ?    ?   1055.39  45.3063      979.964    45.3063      366.601     45.3063      
1 1 1 9  4  25 o 0 126.2  12.8  ?    ?   489.611  -99.0074     251.813    -99.0074     26.8739     80.9926      
1 1 1 9  4  26 o 0 352.2  33.7  ?    ?   764.244  -89.728      476.39     -89.728      41.4877     -89.728      
1 1 1 9  4  27 o 0 321.6  36.5  ?    ?   617.729  168.42       535.681    168.42       166.561     168.42       
1 1 1 9  4  28 o 0 702.3  50.2  ?    ?   885.535  -70.2984     815.482    -70.2984     287.88      -70.2984     
1 1 1 9  4  29 o 0 427.8  31.4  ?    ?   690.567  -140.121     622.753    -140.121     217.012     -140.121     
1 1 1 9  4  30 f 1 25.9   7.1   ?    ?   573.04   -12.9529     92.7208    167.047      416.985     167.047      
1 1 1 9  4  31 o 0 21.9   6.9   ?    ?   15.2498  -171.203     9.98187    -171.203     1.91793     -171.203     
1 1 1 9  4  32 o 0 102.5  10.2  ?    ?   337.869  16.1404      290.724    16.1404      121.126     16.1404      
1 1 1 9  4  33 o 0 282.6  23.6  ?    ?   587.498  -169.553     488.21     -169.553     198.266     -169.553     
1 1 1 9  4  34 o 0 53.6   11    ?    ?   215.712  -158.669     192.236    -158.669     89.096      -158.669     
1 1 1 9  4  35 o 0 98.3   12    ?    ?   272.818  156.058      360.99     156.058      194.729     156.058      
1 1 1 9  4  36 o 0 34.7   7.1   ?    ?   316.752  -154.649     109.903    -154.649     83.2718     25.3515      
1 1 1 9  4  37 o 0 56.3   9.7   ?    ?   309.128  -150.384     199.034    -150.384     13.8273     -150.384     
1 1 1 9  4  38 o 0 20.9   8.4   ?    ?   206.749  95.3376      81.5288    95.3376      37.1655     -84.6624     
1 1 1 9  4  39 o 0 8.5    6.8   ?    ?   107.704  -64.8072     30.853     -64.8072     27.9975     115.193      
1 1 1 9  4  40 o 0 0      9.7   ?    ?   117.266  135.015      21.9257    135.015      36.5488     -44.9847     
1 1 1 9  4  41 o 0 31.3   7.4   ?    ?   393.431  -28.2248     87.7758    -28.2248     86.3677     151.775      
1 1 1 9  5  0  o 0 7.3    1.8   ?    ?   67.8089  90           9.75847    90           39.3333     -90          
1 1 1 9  5  1  o 0 110.6  7.8   ?    ?   583.163  -128.767     203.358    -128.767     214.441     51.2327      
1 1 1 9  5  3  o 0 348.3  24.2  ?    ?   861.009  -96.2718     519.62     -96.2718     84.9913     83.7282      
1 1 1 9  5  5  o 0 301.2  22.7  ?    ?   1015.49  -51.2542     328.469    -51.2542     372.358     128.746      
1 1 1 9  5  6  o 0 1369.4 102.1 ?    ?   1411.59  -14.9774     1208.82    -14.9774     241.824     -14.9774     
1 1 1 9  5  7  o 0 918.6  68.6  ?    ?   1140.67  135.631      997.46     135.631      221.212     135.631      
1 1 1 9  5  8  o 0 126    9     ?    ?   548.632  -172.19      286.031    -172.19      104.384     7.8096       
1 1 1 9  5  10 f 1 272.3  19.1  ?    ?   476.681  -151.443     661.008    -151.443     326.123     -151.443     
1 1 1 9  5  11 o 0 1165.1 87.2  ?    ?   1334.01  -112.092     1165.18    -112.092     229.946     -112.092     
1 1 1 9  5  12 o 0 77.2   6.5   ?    ?   621.164  -149.302     81.4916    -149.302     352.012     30.6979      
1 1 1 9  5  13 o 0 25.5   3.6   ?    ?   48.3117  -125.285     19.1779    -125.285     14.3843     54.7154      
1 1 1 9  5  14 o 0 975.6  73    ?    ?   1443.41  -160.195     861.877    -160.195     81.1        19.8047      
1 1 1 9  5  15 o 0 267.2  20.6  ?    ?   753.447  85.6766      436.633    85.6766      55.4144     -94.3234     
1 1 1 9  5  16 o 0 442.5  33.7  ?    ?   866.952  4.69611      635.191    4.69611      72.0407     4.69611      
1 1 1 9  5  17 o 0 49.9   4.6   ?    ?   260.257  -45.9201     150.535    -45.9201     17.5459     134.08       
1 1 1 9  5  18 o 0 195    13.4  ?    ?   519.126  72.8628      431.433    72.8628      98.2703     72.8628      
1 1 1 9  5  19 o 0 61.1   5.7   ?    ?   298.087  30.8358      178.725    30.8358      13.2953     -149.164     
1 1 1 9  5  20 o 0 184.1  13.1  ?    ?   167.229  -14.1678     488.945    -14.1678     389.788     -14.1678     
1 1 1 9  5  21 o 0 139.9  11.3  ?    ?   500.08   125.991      285.402    125.991      8.72719     -54.0089     
1 1 1 9  5  22 o 0 29.7   7.3   ?    ?   122.649  179.167      48.4264    179.167      23.3015     -0.832852    
1 1 1 9  5  23 o 0 280.7  24.4  ?    ?   660.31   122.807      447.277    122.807      64.7388     122.807      
1 1 1 9  5  24 o 0 38.9   7.3   ?    ?   213.807  -101.904     96.0979    -101.904     26.2525     78.0962      
1 1 1 9  5  25 o 0 302.2  24.1  ?    ?   637.763  167.823      482.984    167.823      121.969     167.823      
1 1 1 9  5  26 o 0 19.1   7.5   ?    ?   82.4903  -134.415     10.9177    -134.415     35.7711     45.5854      
1 1 1 9  5  27 o 0 165.5  14.8  ?    ?   627.208  179.441      270.288    179.441      102.518     -0.559006    
1 1 1 9  5  28 o 0 147    16.1  ?    ?   652.726  139.233      212.479    139.233      174.409     -40.7672     
1 1 1 9  5  29 o 0 62.1   8.8   ?    ?   359.95   -1.51838     155.974    -1.51838     50.2142     178.482      
1 1 1 9  5  30 o 0 41.8   7.7   ?    ?   191.427  -109.865     138.176    -109.865     30.1084     -109.865     
1 1 1 9  5  31 o 0 15.7   6.7   ?    ?   231.575  -21.2249     9.54932    -21.2249     112.319     158.775      
1 1 1 9  5  32 o 0 74.6   9.2   ?    ?   207.498  -179.913     260.868    -179.913     157.197     -179.913     
1 1 1 9  5  33 o 0 114.7  11.8  ?    ?   561.841  -175.637     219.115    -175.637     53.0771     4.36293      
1 1 1 9  5  34 o 0 12.7   7.7   ?    ?   174.959  -165.242     22.5287    -165.242     64.6007     14.7585      
1 1 1 9  5  35 o 0 28.5   8     ?    ?   210.573  -179.063     123.332    -179.063     4.44252     0.937276     
1 1 1 9  5  36 o 0 29.4   8.2   ?    ?   186.654  144.249      141.054    144.249      27.6986     144.249      
1 1 1 9  5  37 o 0 201.7  21.7  ?    ?   527.401  84.3093      429.718    84.3093      115.026     84.3093      
1 1 1 9  5  38 o 0 36.6   9     ?    ?   305.424  59.3721      126.326    59.3721      43.5018     -120.628     
1 1 1 9  5  39 o 0 -4.4   7.3   ?    ?   116.379  32.849       12.5212    -147.151     75.1501     -147.151     
1 1 1 9  5  40 o 0 17.9   7     ?    ?   112.407  -8.17562     105.558    -8.17562     49.7159     -8.17562     
1 1 1 9  5  41 o 0 40.9   7.6   ?    ?   281.315  34.4611      175.1      34.4611      51.0343     34.4611      
1 1 1 9  6  0  o 0 21.6   2.4   ?    ?   21.1425  90           9.3488     90           5.82138     -90          
1 1 1 9  6  2  o 0 751.2  56.3  ?    ?   1186.86  162.716      829.224    162.716      6.05368     -17.2842     
1 1 1 9  6  3  o 0 75.4   5.5   ?    ?   293.553  -56.2259     239.299    -56.2259     34.5955     -56.2259     
1 1 1 9  6  5  o 0 105    8.1   ?    ?   699.746  2.26264      105.151    2.26264      374.821     -177.737     
1 1 1 9  6  6  o 0 62.3   4.7   ?    ?   225.548  177.84       210.74     177.84       60.6699     177.84       
1 1 1 9  6  7  o 0 531.6  36.9  ?    ?   621.646  -152.809     990.347    -152.809     547.888     -152.809     
1 1 1 9  6  8  f 1 74     5.5   ?    ?   157.524  -7.52321     259.854    -7.52321     148.675     -7.52321     
1 1 1 9  6  10 o 0 47.5   4.5   ?    ?   133.41   99.2925      139.563    99.2925      46.1263     99.2925      
1 1 1 9  6  11 o 0 1038   77.7  ?    ?   1109.69  145.966      1199.71    145.966      426.17      145.966      
1 1 1 9  6  12 o 0 28     3.6   ?    ?   89.2072  59.8281      41.0307    59.8281      20.8666     -120.172     
1 1 1 9  6  13 o 0 -1.3   2.6   ?    ?   80.9834  62.4653      51.1111    -117.535     107.041     -117.535     
1 1 1 9  6  14 o 0 488.9  34.1  ?    ?   1151.35  -138.123     520.94     -138.123     230.263     41.8769      
1 1 1 9  6  15 o 0 186    13.6  ?    ?   555.734  32.3599      395.794    32.3599      35.0309     32.3599      
1 1 1 9  6  16 o 0 388    27.4  ?    ?   954.702  127.8        501.325    127.8        115.099     -52.2003     
1 1 1 9  6  17 o 0 11.9   3.1   ?    ?   219.949  73.3964      46.9079    -106.604     188.099     -106.604     
1 1 1 9  6  18 o 0 115.5  9.3   ?    ?   480.631  153.095      261.672    153.095      48.1799     -26.9049     
1 1 1 9  6  19 o 0 115.4  9.4   ?    ?   550.562  73.0768      220.643    73.0768      131.87      -106.923     
1 1 1 9  6  20 o 0 507.4  33.4  ?    ?   997.289  94.4572      570.697    94.4572      17.0678     -85.5428     
1 1 1 9  6  21 o 0 136.3  10.3  ?    ?   472.647  -80.866      289.019    -80.866      11.8473     -80.866      
1 1 1 9  6  22 o 0 18.3   4.9   ?    ?   127.993  8.06829      4.96595    8.06829      69.4414     -171.932     
1 1 1 9  6  23 o 0 108.9  11.6  ?    ?   467.928  -73.1147     222.098    -73.1147     47.3855     106.885      
1 1 1 9  6  24 o 0 387    33.2  ?    ?   725.049  58.5316      552.527    58.5316      140.046     58.5316      
1 1 1 9  6  25 o 0 357.1  28.2  ?    ?   854.311  100.341      439.997    100.341      40.8037     -79.6587     
1 1 1 9  6  26 o 0 42.9   6.5   ?    ?   125.255  14.4825      106.444    14.4825      35.9546     14.4825      
1 1 1 9  6  27 o 0 271.2  21.3  ?    ?   662.436  19.9442      433.489    19.9442      37.9126     19.9442      
1 1 1 9  6  28 o 0 754.6  53.8  ?    ?   923.084  -125.128     833.162    -125.128     289.052     -125.128     
1 1 1 9  6  29 o 0 26.7   9.3   ?    ?   306.433  117.947      33.3498    117.947      141.228     -62.0528     
1 1 1 9  6  30 o 0 60.6   8.6   ?    ?   367.393  136.199      158.8      136.199      36.4793     -43.8012     
1 1 1 9  6  31 o 0 20.6   6.8   ?    ?   181.75   -137.994     47.9246    -137.994     47.2201     42.0058      
1 1 1 9  6  32 o 0 430.1  32    ?    ?   855.744  59.6515      550.968    59.6515      125.626     59.6515      
1 1 1 9  6  33 o 0 88.9   10.3  ?    ?   522.947  40.6605      175.135    40.6605      76.9333     -139.34      
1 1 1 9  6  34 o 0 14.4   7.1   ?    ?   207.226  -54.376      24.5679    -54.376      78.1187     125.624      
1 1 1 9  6  35 o 0 77.3   9.1   ?    ?   364.993  25.6748      249.354    25.6748      24.5177     25.6748      
1 1 1 9  6  36 o 0 43     9.2   ?    ?   216.255  21.3478      194.648    21.3478      63.6526     21.3478      
1 1 1 9  6  37 o 0 14.5   6.7   ?    ?   245.06   -123.365     27.3515    -123.365     115.027     56.6347      
1 1 1 9  6  38 o 0 15.6   7.2   ?    ?   115.943  -24.3781     77.4335    -24.3781     13.2582     -24.3781     
1 1 1 9  6  39 f 1 8.4    8.1   ?    ?   112.829  140.651      40.1552    140.651      20.137      -39.3492     
1 1 1 9  6  40 o 0 3      6.5   ?    ?   62.7179  25.5523      15.4081    25.5523      15.6133     -154.448     
1 1 1 9  6  41 o 0 -4.9   7.4   ?    ?   99.9178  169.384      9.50638    169.384      34.3717     -10.6155     
1 1 1 9  7  0  o 0 2.2    1.4   ?    ?   118.634  -90          3.70494    -90          80.7201     90           
1 1 1 9  7  1  o 0 128.1  8.5   ?    ?   534.145  128.664      280.443    128.664      96.2787     -51.3361     
1 1 1 9  7  2  o 0 139.8  10.8  ?    ?   315.195  90.4333      427.415    90.4333      207.084     90.4333      
1 1 1 9  7  3  o 0 281.8  19.6  ?    ?   492.77   -83.4442     632.563    -83.4442     291.047     -83.4442     
1 1 1 9  7  5  o 0 88.1   6.4   ?    ?   469.632  -172.788     218.281    -172.788     118.772     7.21209      
1 1 1 9  7  6  f 1 191.8  13.5  ?    ?   336.057  149.493      577.448    149.493      338.542     149.493      
1 1 1 9  7  7  o 0 138    9.8   ?    ?   432.533  2.50891      387.911    2.50891      81.5713     2.50891      
1 1 1 9  7  8  o 0 65.3   5.3   ?    ?   384.058  49.0911      178.222    49.0911      92.2112     -130.909     
1 1 1 9  7  9  o 0 30.7   2.9   ?    ?   467.773  2.92112      31.4018    -177.079     359.021     -177.079     
1 1 1 9  7  10 o 0 1141.1 93.3  ?    ?   1366.23  32.2944      1109.88    32.2944      157.805     32.2944      
1 1 1 9  7  11 o 0 223.2  20.9  ?    ?   452.375  69.13        565.885    69.13        252.164     69.13        
1 1 1 9  7  12 o 0 440.8  36.4  ?    ?   770.766  -133.688     737.996    -133.688     206.007     -133.688     
1 1 1 9  7  13 o 0 47.3   4.3   ?    ?   365.994  109.323      101.925    109.323      136.721     -70.6771     
1 1 1 9  7  14 o 0 41.3   4.2   ?    ?   303.122  -159.964     99.9151    -159.964     96.7622     20.0356      
1 1 1 9  7  15 o 0 64.3   5.7   ?    ?   261.856  -124.01      207.218    -124.01      38.193      -124.01      
1 1 1 9  7  16 o 0 11.6   3.3   ?    ?   28.0924  76.0779      4.69816    -103.922     22.7318     -103.922     
1 1 1 9  7  17 o 0 14.2   3.6   ?    ?   109.753  66.6987      9.06644    -113.301     79.1062     -113.301     
1 1 1 9  7  18 o 0 415.9  27.5  ?    ?   855.271  -172.587     587.717    -172.587     39.6225     -172.587     
1 1 1 9  7  19 o 0 1305.9 84.6  ?    ?   1716.22  89.2376      859.171    89.2376      153.728     -90.7624     
1 1 1 9  7  20 o 0 1016.1 66    ?    ?   1337.92  34.5287      853.144    34.5287      69.3929     34.5287      
1 1 1 9  7  21 o 0 384.7  27.6  ?    ?   1107.99  -57.9452     348.472    -57.9452     297.336     122.055      
1 1 1 9  7  22 o 0 20     5.2   ?    ?   324.314  -34.6211     26.0162    145.379      213.406     145.379      
1 1 1 9  7  23 o 0 384.7  30    ?    ?   705.99   -94.3841     562.768    -94.3841     159.525     -94.3841     
1 1 1 9  7  24 o 0 299.4  26    ?    ?   711.07   -41.4315     439.252    -41.4315     37.1746     -41.4315     
1 1 1 9  7  25 o 0 109.6  10.8  ?    ?   436.706  120.958      235.398    120.958      11.7123     -59.0422     
1 1 1 9  7  26 o 0 102.1  10.5  ?    ?   419.845  70.6118      236.501    70.6118      13.2017     -109.388     
1 1 1 9  7  27 f 1 146.9  14.1  ?    ?   362.055  124.244      367.393    124.244      153.029     124.244      
1 1 1 9  7  28 f 1 1092.9 76.7  ?    ?   984.643  59.1586      1067.19    59.1586      491.699     59.1586      
1 1 1 9  7  29 o 0 180    16.5  ?    ?   474.376  -28.5304     375.391    -28.5304     106.712     -28.5304     
1 1 1 9  7  30 o 0 12.9   6.9   ?    ?   105.667  -132.933     9.45401    -132.933     46.3871     47.0674      
1 1 1 9  7  31 o 0 21.8   7     ?    ?   113.504  -21.5831     63.0696    -21.5831     6.07094     -21.5831     
1 1 1 9  7  32 o 0 203.1  19.5  ?    ?   593.224  13.962       365.3      13.962       72.1002     13.962       
1 1 1 9  7  33 o 0 120.6  12.4  ?    ?   558.049  -21.737      230.647    -21.737      36.8495     158.263      
1 1 1 9  7  34 o 0 1.6    6.5   ?    ?   83.7134  155.248      16.5198    -24.7525     67.719      -24.7525     
1 1 1 9  7  35 o 0 13.9   6.9   ?    ?   149.179  -83.2402     50.5794    -83.2402     40.8203     96.7598      
1 1 1 9  7  36 o 0 3.1    6.8   ?    ?   86.8599  148.7        1.64701    -31.3003     53.9829     -31.3003     
1 1 1 9  7  37 o 0 71.8   9.7   ?    ?   291.517  -46.6669     264.641    -46.6669     96.1546     -46.6669     
1 1 1 9  7  38 o 0 20.8   7.4   ?    ?   298.373  -121.798     45.486     -121.798     118.818     58.2023      
1 1 1 9  7  39 o 0 6.5    7.4   ?    ?   101.551  101.591      27.7375    101.591      26.3937     -78.4085     
1 1 1 9  7  40 o 0 0.4    7.1   ?    ?   78.6934  104.198      10.5336    104.198      28.1964     -75.8021     
1 1 1 9  8  0  o 0 62.7   7.1   ?    ?   111.228  90           143.134    90           60.512      90           
1 1 1 9  8  1  o 0 105.8  7.5   ?    ?   521.621  -54.3349     251.266    -54.3349     133.037     125.665      
1 1 1 9  8  2  o 0 638.3  44.3  ?    ?   679.756  -177.151     1119.47    -177.151     622.746     -177.151     
1 1 1 9  8  3  o 0 163.3  11.5  ?    ?   619.296  54.3712      346.557    54.3712      102.384     -125.629     
1 1 1 9  8  5  o 0 36.3   3     ?    ?   355.213  -106.813     59.9124    -106.813     193.803     73.1872      
1 1 1 9  8  6  o 0 304.1  25.1  ?    ?   985.246  -48.8591     387.47     -48.8591     311.558     131.141      
1 1 1 9  8  7  o 0 137.3  11.6  ?    ?   531.659  -160.659     324.498    -160.659     50.3744     19.3414      
1 1 1 9  8  8  o 0 74.5   6.6   ?    ?   588.654  151.456      92.4837    151.456      320.183     -28.5438     
1 1 1 9  8  9  o 0 21.1   2.7   ?    ?   179.424  53.3636      17.834     53.3636      107.268     -126.636     
1 1 1 9  8  10 o 0 58.8   5.5   ?    ?   367.203  -74.0542     157.734    -74.0542     96.9799     105.946      
1 1 1 9  8  11 f 1 1211.6 90.7  ?    ?   1284.27  -102.984     1233.12    -102.984     348.984     -102.984     
1 1 1 9  8  12 o 0 2.4    2.5   ?    ?   88.6518  168.426      47.5334    -11.574      105.331     -11.574      
1 1 1 9  8  13 o 0 5.2    2.3   ?    ?   139.415  -121.047     62.2829    58.9528      152.725     58.9528      
1 1 1 9  8  14 f 1 508.1  42    ?    ?   1234.99  0.284081     487.39     0.284081     307.637     -179.716     
1 1 1 9  8  15 o 0 426.1  30    ?    ?   943.572  126.152      559.678    126.152      46.0596     -53.8475     
1 1 1 9  8  16 o 0 202.9  14.8  ?    ?   764.906  92.7669      301.126    92.7669      187.137     -87.2331     
1 1 1 9  8  17 o 0 30.4   3.9   ?    ?   204.55   113.378      62.5195    113.378      68.6429     -66.6224     
1 1 1 9  8  18 o 0 212.6  14.6  ?    ?   615.247  45.7586      399.771    45.7586      7.82003     45.7586      
1 1 1 9  8  19 o 0 1033.9 67.1  ?    ?   1292.65  104.424      894.828    104.424      136.502     104.424      
1 1 1 9  8  20 o 0 135.3  10.2  ?    ?   358.48   -89.0064     338.715    -89.0064     129.36      -89.0064     
1 1 1 9  8  21 f 1 26     5.6   ?    ?   460.488  -60.8799     48.8939    119.12       314.953     119.12       
1 1 1 9  8  22 o 0 52.8   7.1   ?    ?   247.635  171.132      142.11     171.132      0.0839318   -8.86798     
1 1 1 9  8  23 o 0 308.5  24.6  ?    ?   919.183  -90.8205     341.996    -90.8205     179.73      89.1795      
1 1 1 9  8  24 o 0 533.3  41.1  ?    ?   1006.49  -43.8217     563.281    -43.8217     2.26616     136.178      
1 1 1 9  8  25 o 0 165.3  13.8  ?    ?   620.6    0.809465     259.257    0.809465     89.6995     -179.191     
1 1 1 9  8  26 o 0 36.5   6.6   ?    ?   250.127  89.9287      88.7464    89.9287      59.0808     -90.0713     
1 1 1 9  8  27 o 0 31.5   8.8   ?    ?   262.834  21.1005      67.0086    21.1005      88.0313     -158.9       
1 1 1 9  8  28 o 0 581.3  42.1  ?    ?   1035.48  49.7308      604.863    49.7308      14.029      49.7308      
1 1 1 9  8  29 o 0 288.2  24.5  ?    ?   566.857  -85.6788     500.084    -85.6788     181.022     -85.6788     
1 1 1 9  8  30 f 1 32.6   7.5   ?    ?   148.579  -96.6938     110.581    -96.6937     32.7489     -96.6937     
1 1 1 9  8  31 o 0 -1     7.5   ?    ?   177.618  100.452      45.4042    -79.548      134.052     -79.548      
1 1 1 9  8  32 o 0 465.4  36.5  ?    ?   1237.19  -131.385     403.85     -131.385     195.478     48.615       
1 1 1 9  8  33 f 1 16.8   7.1   ?    ?   129.21   24.4674      50.5845    24.4674      13.6547     -155.533     
1 1 1 9  8  34 o 0 16.9   6.9   ?    ?   152.613  73.2176      60.4166    73.2177      32.3643     -106.782     
1 1 1 9  8  35 o 0 32.2   6.8   ?    ?   169.79   -97.342      164.348    -97.342      60.9351     -97.342      
1 1 1 9  8  36 o 0 36.4   7.1   ?    ?   224.352  -107.994     162.7      -107.994     28.3104     -107.994     
1 1 1 9  8  37 f 1 76.9   9.6   ?    ?   393.89   89.5405      225.443    89.5405      0.315702    -90.4595     
1 1 1 9  8  38 f 1 36.2   9.2   ?    ?   200.59   12.6854      173.591    12.6854      65.2855     12.6854      
1 1 1 9  8  39 o 0 5.9    7.9   ?    ?   63.009   90.1448      32.1391    90.1448      0.620681    90.1448      
1 1 1 9  8  40 o 0 73.8   13.2  ?    ?   389.68   93.9089      227.145    93.909       53.9265     93.909       
1 1 1 9  9  0  o 0 3.4    1.7   ?    ?   10.2069  90           0.601096   90           6.92453     -90          
1 1 1 9  9  1  o 0 467.4  30.3  ?    ?   993.348  14.1684      668.968    14.1684      58.0049     -165.832     
1 1 1 9  9  2  o 0 36.7   3.3   ?    ?   242.397  -151.755     103.286    -151.755     72.7838     28.2448      
1 1 1 9  9  3  o 0 18.9   2.2   ?    ?   226.474  24.0875      4.60496    -155.912     167.897     -155.912     
1 1 1 9  9  6  o 0 13.4   2.1   ?    ?   259.094  141.422      55.4288    -38.5783     238.457     -38.5783     
1 1 1 9  9  7  o 0 84.4   8.3   ?    ?   387.569  -60.0159     246.181    -60.0159     25.9387     119.984      
1 1 1 9  9  8  o 0 79.7   7     ?    ?   292.395  -120.948     271.849    -120.948     67.7328     -120.948     
1 1 1 9  9  9  o 0 31.6   3.8   ?    ?   186.231  -165.791     76.2532    -165.791     53.0411     14.2093      
1 1 1 9  9  10 o 0 204.4  15.7  ?    ?   739.652  -126.764     328.378    -126.764     154.272     53.2359      
1 1 1 9  9  11 o 0 66.7   6.5   ?    ?   752.965  -102.229     41.0775    77.7706      532.16      77.7706      
1 1 1 9  9  12 o 0 89.5   8.4   ?    ?   410.902  66.552       231.703    66.552       34.9168     -113.448     
1 1 1 9  9  13 o 0 16.9   3.6   ?    ?   135.453  -67.8177     0.275357   -67.8177     87.1606     112.182      
1 1 1 9  9  14 o 0 221.2  17.2  ?    ?   698.226  -8.71424     378.738    -8.71424     69.5749     171.286      
1 1 1 9  9  15 o 0 124.7  10.5  ?    ?   507.446  -159.331     275.086    -159.331     48.9247     20.6694      
1 1 1 9  9  16 o 0 124.5  9.8   ?    ?   545.343  65.711       247.784    65.711       102.069     -114.289     
1 1 1 9  9  17 o 0 22.6   3.5   ?    ?   236.278  163.008      14.9829    163.008      135.652     -16.992      
1 1 1 9  9  18 o 0 395.6  27.9  ?    ?   1121.43  -8.87441     360.912    -8.87441     297.681     171.126      
1 1 1 9  9  19 o 0 199.5  14    ?    ?   470.772  24.464       416.178    24.464       140.837     24.464       
1 1 1 9  9  20 o 0 28.3   5     ?    ?   406.288  -161.767     13.1792    18.2326      248.984     18.2326      
1 1 1 9  9  21 o 0 175.3  14.8  ?    ?   531.183  115.312      333.809    115.312      28.0525     115.312      
1 1 1 9  9  22 o 0 6.1    5.5   ?    ?   47.2418  12.8534      15.321     -167.147     42.2159     -167.147     
1 1 1 9  9  23 o 0 163.3  13.6  ?    ?   652.832  33.7532      244.228    33.7532      123.92      -146.247     
1 1 1 9  9  24 o 0 213.5  17    ?    ?   485.581  107.019      416.082    107.019      141.889     107.019      
1 1 1 9  9  25 o 0 256.7  18.6  ?    ?   624.114  -60.0686     436.089    -60.0686     65.4266     -60.0686     
1 1 1 9  9  26 o 0 32.5   6.6   ?    ?   95.5583  -79.445      70.6723    -79.445      13.9898     -79.445      
1 1 1 9  9  27 o 0 29.3   6.8   ?    ?   211.791  -124.04      68.9484    -124.04      55.1562     55.9599      
1 1 1 9  9  28 o 0 550.6  43.7  ?    ?   1456.24  -65.577      331.962    -65.577      493.461     114.423      
1 1 1 9  9  29 o 0 163.6  15.3  ?    ?   417.804  176.224      382.135    176.224      161.002     176.224      
1 1 1 9  9  30 f 1 21.6   9.1   ?    ?   165.171  157.779      51.1311    157.779      34.8219     -22.2207     
1 1 1 9  9  31 o 0 24.3   7.7   ?    ?   108.662  2.00333      71.4821    2.00333      17.6062     2.00333      
1 1 1 9  9  32 o 0 -9.9   6.9   ?    ?   95.7174  -129.503     31.3786    50.4966      77.4431     50.4966      
1 1 1 9  9  33 o 0 22.8   6.8   ?    ?   166.706  171.958      105.231    171.958      2.78023     171.958      
1 1 1 9  9  34 o 0 13.7   6.1   ?    ?   198.949  -2.42901     35.9277    -2.42901     86.6591     177.571      
1 1 1 9  9  35 o 0 26.2   6.6   ?    ?   89.4273  153.519      138.028    153.519      83.7916     153.519      
1 1 1 9  9  36 o 0 51.6   8.1   ?    ?   167.96   -154.837     252.783    -154.837     154.986     -154.837     
1 1 1 9  9  37 o 0 13     7.9   ?    ?   55.9767  -27.4596     45.6823    -27.4596     14.6018     -27.4596     
1 1 1 9  9  38 o 0 14.8   7.1   ?    ?   99.0718  33.7278      78.3421    33.7278      25.0476     33.7278      
1 1 1 9  9  39 o 0 -0.4   8.1   ?    ?   15.7623  -71.0327     4.19131    -71.0327     3.64442     108.967      
1 1 1 9  9  40 o 0 33     8.4   ?    ?   237.136  167.879      155.766    167.879      51.0025     167.879      
1 1 1 9  10 0  o 0 4.7    1.9   ?    ?   76.9908  90           6.79427    90           49.5537     -90          
1 1 1 9  10 1  o 0 77.2   5.3   ?    ?   393.897  167.589      225.647    167.589      60.7102     -12.4108     
1 1 1 9  10 2  o 0 177.4  13.6  ?    ?   639.028  -31.8051     366.817    -31.8051     94.5792     148.195      
1 1 1 9  10 3  o 0 99     7.8   ?    ?   167.826  -106.075     357.6      -106.075     237.25      -106.075     
1 1 1 9  10 4  o 0 48.8   5     ?    ?   323.462  -122.425     137.236    -122.425     93.1757     57.5752      
1 1 1 9  10 5  o 0 11.7   2     ?    ?   175.477  -179.038     40.3655    0.961734     164.555     0.961734     
1 1 1 9  10 6  o 0 204.8  15.7  ?    ?   657.686  4.7321       408.155    4.7321       54.4099     -175.268     
1 1 1 9  10 7  f 1 123.7  9.6   ?    ?   491.021  18.7682      310.362    18.7682      32.0429     -161.232     
1 1 1 9  10 8  o 0 80.4   5.6   ?    ?   615.47   -12.1678     96.4599    -12.1678     331.373     167.832      
1 1 1 9  10 9  f 1 26.6   2.6   ?    ?   73.6505  11.9302      31.0349    11.9302      17.1714     -168.07      
1 1 1 9  10 10 o 0 181.7  17.5  ?    ?   811.332  49.8735      232.737    49.8735      296.809     -130.126     
1 1 1 9  10 11 o 0 108.8  11.2  ?    ?   262.808  47.4399      351.459    47.4399      180.837     47.4399      
1 1 1 9  10 12 o 0 207.9  16.1  ?    ?   623.296  -148.552     399.26     -148.552     3.25331     31.4482      
1 1 1 9  10 13 o 0 23.2   3.6   ?    ?   283.341  17.8185      9.29777    17.8186      172.693     -162.181     
1 1 1 9  10 14 o 0 464.7  35.2  ?    ?   960.047  -166.493     598.657    -166.493     14.567      13.5073      
1 1 1 9  10 15 o 0 1021.1 76.6  ?    ?   1290.87  -117.224     966.08     -117.224     137.584     -117.224     
1 1 1 9  10 16 o 0 219.2  19.1  ?    ?   552.751  -143.74      448.282    -143.74      95.673      -143.74      
1 1 1 9  10 17 f 1 40.6   4.5   ?    ?   149.022  18.8425      96.1667    18.8426      8.80222     18.8426      
1 1 1 9  10 18 f 1 272.2  18.4  ?    ?   995.907  -171.106     254.893    -171.106     326.738     8.89368      
1 1 1 9  10 19 o 0 275    20    ?    ?   780.671  -117.034     375.57     -117.034     78.1932     62.9665      
1 1 1 9  10 20 o 0 280.1  22    ?    ?   559.317  -13.6731     498.033    -13.6731     175.473     -13.6731     
1 1 1 9  10 21 o 0 21.3   5.5   ?    ?   257.149  5.58539      5.06338    5.58539      141.677     -174.415     
1 1 1 9  10 22 o 0 54.5   7.8   ?    ?   160.433  41.338       149.936    41.338       59.2043     41.338       
1 1 1 9  10 23 o 0 255.6  19.5  ?    ?   527.368  -10.375      464.696    -10.375      165.889     -10.375      
1 1 1 9  10 24 o 0 60.5   7.2   ?    ?   374.375  -139.985     128.651    -139.985     81.3109     40.0146      
1 1 1 9  10 25 o 0 61.5   7.4   ?    ?   418.422  -147.814     119.478    -147.814     129.866     32.1865      
1 1 1 9  10 26 o 0 42.9   7     ?    ?   254.287  -124.154     120.077    -124.154     29.715      55.8463      
1 1 1 9  10 27 o 0 15.8   6.4   ?    ?   115.163  42.1515      14.4881    42.1515      51.1765     -137.849     
1 1 1 9  10 28 o 0 813.2  62.7  ?    ?   1241.9   108.302      687.93     108.302      11.078      -71.698      
1 1 1 9  10 29 o 0 60.8   11.4  ?    ?   358.94   76.9         159.382    76.9         29.2643     -103.1       
1 1 1 9  10 30 o 0 60.3   10.5  ?    ?   416.389  -57.4666     140.294    -57.4666     67.8251     122.533      
1 1 1 9  10 31 o 0 10.9   7.2   ?    ?   151.505  26.2371      10.8538    26.2371      62.7026     -153.763     
1 1 1 9  10 32 o 0 37.1   7.3   ?    ?   250.486  -20.1696     126.229    -20.1696     6.52587     -20.1696     
1 1 1 9  10 33 o 0 61.7   8.5   ?    ?   343.495  -119.917     209.808    -119.917     0.18482     -119.917     
1 1 1 9  10 34 o 0 7      6.5   ?    ?   170.977  -68.1478     4.03689    111.852      108.654     111.852      
1 1 1 9  10 35 o 0 19.8   7.1   ?    ?   93.2041  -173.592     94.4039    -173.592     38.2692     -173.592     
1 1 1 9  10 36 o 0 9.2    7.1   ?    ?   295.104  -50.4862     32.3139    129.514      202.955     129.514      
1 1 1 9  10 37 o 0 43.7   7.2   ?    ?   291.291  177.006      166.8      177.006      6.17432     177.006      
1 1 1 9  10 38 f 1 19.7   7     ?    ?   167.911  129.718      96.9555    129.718      7.47617     129.718      
1 1 1 9  10 39 o 0 4.7    11.4  ?    ?   126.675  71.085       53.2949    71.085       3.51109     -108.915     
1 1 1 9  11 0  o 0 6      2.4   ?    ?   181.674  -90          19.9539    -90          112.011     90           
1 1 1 9  11 1  o 0 195.4  14.9  ?    ?   637.352  -143.204     411.045    -143.204     49.1421     36.7962      
1 1 1 9  11 2  o 0 55.3   5.3   ?    ?   466.961  31.0059      92.7524    31.0059      242.319     -148.994     
1 1 1 9  11 3  o 0 10.2   2     ?    ?   41.8971  -157.622     10.8998    22.3781      40.7751     22.3781      
1 1 1 9  11 4  o 0 16.6   2.2   ?    ?   114.631  -137.11      0.991013   42.8903      82.2209     42.8903      
1 1 1 9  11 5  o 0 79     6.3   ?    ?   578.382  -0.808321    116.096    -0.808321    291.245     179.192      
1 1 1 9  11 6  o 0 32.8   3.2   ?    ?   321.375  119.918      50.8812    119.918      161.696     -60.0825     
1 1 1 9  11 7  o 0 137.9  9.9   ?    ?   678.239  177.192      216.842    177.192      231.245     -2.8083      
1 1 1 9  11 8  o 0 83     6.8   ?    ?   500.581  -41.8709     165.262    -41.8709     163.577     138.129      
1 1 1 9  11 9  o 0 89.9   7.4   ?    ?   456.339  94.268       210.669    94.268       87.4426     -85.732      
1 1 1 9  11 10 o 0 451.5  34    ?    ?   1240.47  -156.181     412.355    -156.181     393.569     23.8187      
1 1 1 9  11 11 o 0 422.1  29.6  ?    ?   851.134  -43.2932     614.931    -43.2932     64.969      -43.2932     
1 1 1 9  11 12 o 0 53.7   4.8   ?    ?   337.361  -47.449      139.555    -47.449      77.2357     132.551      
1 1 1 9  11 13 o 0 36.1   4.8   ?    ?   260.411  -62.2539     86.0337    -62.2539     80.3725     117.746      
1 1 1 9  11 14 f 1 308.1  26    ?    ?   705.22   -146.255     518.684    -146.255     67.0346     -146.255     
1 1 1 9  11 15 f 1 1124.3 84.3  ?    ?   1080.88  140.663      1180.55    140.663      492.465     140.663      
1 1 1 9  11 16 o 0 281.9  22.5  ?    ?   653.716  143.185      462.776    143.185      78.2983     143.185      
1 1 1 9  11 17 o 0 38.9   4.7   ?    ?   396.636  -49.8031     39.9918    -49.8031     192.446     130.197      
1 1 1 9  11 18 o 0 207.7  16.5  ?    ?   712.594  154.124      301.586    154.124      113.067     -25.876      
1 1 1 9  11 19 o 0 49.3   6.2   ?    ?   279.269  -130.74      123.084    -130.74      38.2013     49.2602      
1 1 1 9  11 20 o 0 131    11.6  ?    ?   492.795  -83.703      262.381    -83.703      19.3377     96.297       
1 1 1 9  11 21 o 0 58.7   7.5   ?    ?   275.655  -5.39719     158.614    -5.39719     2.37151     -5.39719     
1 1 1 9  11 22 o 0 123.2  11.2  ?    ?   486.579  103.924      243.499    103.924      29.7909     -76.0757     
1 1 1 9  11 23 f 1 227.7  16.5  ?    ?   848.106  -1.61541     249.529    -1.61541     226.419     178.385      
1 1 1 9  11 24 o 0 588.9  39.3  ?    ?   754.569  -141.767     785.148    -141.766     338.408     -141.766     
1 1 1 9  11 25 o 0 901.5  59.3  ?    ?   1300.95  150.861      747.413    150.861      22.2658     -29.1388     
1 1 1 9  11 26 o 0 41.2   6.9   ?    ?   220.14   116.381      133.461    116.381      7.31717     116.381      
1 1 1 9  11 27 o 0 347.7  24.7  ?    ?   735.364  165.447      497.453    165.447      81.2324     165.447      
1 1 1 9  11 28 o 0 89.5   10.9  ?    ?   591.249  77.9122      134.376    77.9122      178.311     -102.088     
1 1 1 9  11 29 o 0 535.7  47.4  ?    ?   937.548  -24.3927     623.01     -24.3927     151.151     -24.3927     
1 1 1 9  11 30 f 1 30.2   15.8  ?    ?   140.303  2.80622      90.7223    2.80622      21.2971     2.80622      
1 1 1 9  11 31 o 0 30.3   7.7   ?    ?   174.92   -174.7       115.029    -174.7       30.7381     -174.7       
1 1 1 9  11 32 o 0 35.9   7.4   ?    ?   182.943  -145.389     174.955    -145.389     62.2958     -145.389     
1 1 1 9  11 33 f 1 8.8    6.4   ?    ?   143.593  13.9817      14.8397    13.9817      73.6577     -166.018     
1 1 1 9  11 34 o 0 39.8   7.8   ?    ?   191.407  144.718      194.481    144.718      77.9808     144.718      
1 1 1 9  11 35 o 0 40.6   7     ?    ?   198.612  166.043      198.004    166.043      81.8561     166.043      
1 1 1 9  11 36 o 0 94.4   9.6   ?    ?   434.353  46.4946      261.68     46.4946      19.2659     46.4946      
1 1 1 9  11 37 o 0 4.4    6.8   ?    ?   97.4035  71.7181      17.1274    71.7181      35.5825     -108.282     
1 1 1 9  11 38 f 1 9.7    6.4   ?    ?   190.503  116.449      31.8479    116.449      63.2524     -63.5508     
1 1 1 9  11 39 o 0 -1.7   7     ?    ?   45.118   -166.397     12.8064    -166.397     7.27785     13.603       
1 1 1 9  12 0  o 0 64.5   7.5   ?    ?   545.835  -90          244.292    -90          127.411     90           
1 1 1 9  12 1  o 0 54.6   4.6   ?    ?   420.839  -22.1281     109.922    -22.1281     175.128     157.872      
1 1 1 9  12 2  f 1 53     5.1   ?    ?   128.385  102.684      152.81     102.684      66.5591     102.684      
1 1 1 9  12 3  o 0 239    19.9  ?    ?   868.748  149.848      322.377    149.848      262.1       -30.1516     
1 1 1 9  12 4  o 0 57     5.3   ?    ?   388.566  94.7579      134.674    94.7579      125.228     -85.2421     
1 1 1 9  12 5  o 0 57.9   5.6   ?    ?   405.14   82.973       129.091    82.973       140.326     -97.027      
1 1 1 9  12 6  o 0 383.6  29    ?    ?   1140.18  -167.345     386.556    -167.345     367.3       12.6548      
1 1 1 9  12 7  f 1 675    46.9  ?    ?   1226.15  -28.403      704.373    -28.403      99.6455     151.597      
1 1 1 9  12 8  o 0 83.5   6.9   ?    ?   326.073  -169.812     254.782    -169.812     41.6198     -169.812     
1 1 1 9  12 9  f 1 69.9   6.7   ?    ?   345.194  -43.5753     199.457    -43.5753     24.3732     136.425      
1 1 1 9  12 10 o 0 132.2  11.6  ?    ?   681.915  -131.882     195.691    -131.882     245.156     48.1181      
1 1 1 9  12 11 o 0 1522.2 105.4 ?    ?   1853.47  172.418      1027.99    172.418      163.566     -7.58249     
1 1 1 9  12 12 f 1 536.4  37.5  ?    ?   1243.22  41.1227      508.572    41.1227      292.539     -138.877     
1 1 1 9  12 13 o 0 45.1   4.6   ?    ?   448.651  -137.317     46.1798    -137.317     241.994     42.6832      
1 1 1 9  12 14 o 0 364.5  25.8  ?    ?   842.281  0.174079     481.877    0.174079     16.8276     -179.826     
1 1 1 9  12 15 o 0 1072   88.2  ?    ?   1499.31  63.0115      801.339    63.0115      80.8725     -116.988     
1 1 1 9  12 16 f 1 228.2  20.3  ?    ?   747.396  134.944      321.335    134.944      115.788     -45.0564     
1 1 1 9  12 17 o 0 14.5   3.8   ?    ?   157.748  -75.6911     15.1789    104.309      107.043     104.309      
1 1 1 9  12 18 o 0 366.3  28.1  ?    ?   822.861  82.2698      479.839    82.2698      4.12545     82.2698      
1 1 1 9  12 19 o 0 243.7  21.2  ?    ?   495.734  112.305      471.808    112.305      188.032     112.305      
1 1 1 9  12 20 o 0 78.3   8.5   ?    ?   243.094  -70.5228     227.984    -70.5228     89.9665     -70.5228     
1 1 1 9  12 21 o 0 9      5     ?    ?   124.608  -71.5034     31.8286    108.497      101.96      108.497      
1 1 1 9  12 22 f 1 18.1   4.8   ?    ?   345.036  -134.209     36.9548    45.7911      231.073     45.7911      
1 1 1 9  12 23 f 1 148.3  11.9  ?    ?   633.817  -142.614     232.165    -142.614     143.24      37.3856      
1 1 1 9  12 24 o 0 86.6   9.3   ?    ?   211.847  4.27489      277.348    4.27489      151.573     4.27489      
1 1 1 9  12 25 o 0 8.1    5.6   ?    ?   121.376  43.113       28.9796    -136.887     100.247     -136.887     
1 1 1 9  12 26 o 0 90.4   9.2   ?    ?   303.235  14.479       262.537    14.479       90.1064     14.479       
1 1 1 9  12 27 o 0 148    12.6  ?    ?   447.038  -124.351     340.182    -124.351     102.52      -124.351     
1 1 1 9  12 28 o 0 69.3   9.4   ?    ?   520.136  152.267      111.923    152.267      161.013     -27.7327     
1 1 1 9  12 29 o 0 30.5   8.8   ?    ?   269.382  2.47183      88.3663    2.47183      46.1475     -177.528     
1 1 1 9  12 30 o 0 67.1   13.9  ?    ?   254.995  124.918      223.945    124.918      100.181     124.918      
1 1 1 9  12 31 o 0 38.9   10.3  ?    ?   129.429  -82.8263     155.828    -82.8263     91.0957     -82.8263     
1 1 1 9  12 32 o 0 4.9    7     ?    ?   132.117  -100.497     12.9943    79.5035      93.7072     79.5035      
1 1 1 9  12 33 o 0 48.5   7.2   ?    ?   297.478  43.799       182.229    43.799       0.119449    -136.201     
1 1 1 9  12 34 o 0 9.4    5.9   ?    ?   151.075  -167.557     20.0338    -167.557     71.1855     12.4434      
1 1 1 9  12 35 o 0 28     6.6   ?    ?   155.088  -1.44414     152.098    -1.44414     62.1251     -1.44414     
1 1 1 9  12 36 o 0 55.6   7.4   ?    ?   258.503  -139.452     229.085    -139.452     85.9609     -139.452     
1 1 1 9  12 37 o 0 25.9   6.5   ?    ?   308.445  -79.8561     77.7015    -79.8561     87.8875     100.144      
1 1 1 9  12 38 o 0 3.3    6.6   ?    ?   144.119  50.8675      24.8736    50.8675      40.1183     -129.133     
1 1 1 9  13 0  o 0 0.7    2.7   ?    ?   63.7785  90           1.48168    90           41.793      -90          
1 1 1 9  13 1  o 0 126.8  9.9   ?    ?   558.247  174.257      266.231    174.257      110.751     -5.74321     
1 1 1 9  13 2  o 0 274.1  25.5  ?    ?   598.925  3.82195      556.767    3.82195      154.359     3.82195      
1 1 1 9  13 3  o 0 131.6  14.4  ?    ?   630.713  17.2544      231.268    17.2544      190.267     -162.746     
1 1 1 9  13 4  o 0 135.4  11.7  ?    ?   550.192  -164.963     289.012    -164.963     76.7224     15.037       
1 1 1 9  13 5  o 0 20.2   2.9   ?    ?   265.52   -117.752     4.20982    62.2477      179.745     62.2477      
1 1 1 9  13 6  o 0 159.1  11.5  ?    ?   741.989  -110.602     228.098    -110.602     259.728     69.3982      
1 1 1 9  13 8  o 0 234.2  18    ?    ?   646.621  99.7117      439.893    99.7117      19.4552     99.7117      
1 1 1 9  13 9  o 0 57.1   5.4   ?    ?   227.021  -161.849     186.271    -161.849     39.4795     -161.849     
1 1 1 9  13 10 o 0 730.1  50.8  ?    ?   1280.56  110.634      706.077    110.634      126.054     -69.3657     
1 1 1 9  13 11 o 0 1595   119.3 ?    ?   1184.07  -47.8658     1485.68    -47.8658     720.613     -47.8658     
1 1 1 9  13 12 o 0 94.9   7.4   ?    ?   242.229  30.1631      306.516    30.1631      150.91      30.1631      
1 1 1 9  13 13 o 0 64.7   5.8   ?    ?   244.002  60.5341      190.11     60.5341      45.6187     60.5341      
1 1 1 9  13 14 o 0 72.5   6.8   ?    ?   178.893  112.23       215.077    112.23       109.793     112.23       
1 1 1 9  13 15 o 0 968.5  67.4  ?    ?   1079.36  10.1151      957.461    10.1151      324.37      10.1151      
1 1 1 9  13 16 o 0 287.1  20.8  ?    ?   1019.03  -20.0573     261.714    -20.0573     331.977     159.943      
1 1 1 9  13 17 o 0 33.7   4.9   ?    ?   353.313  133.978      34.3073    133.978      170.08      -46.0217     
1 1 1 9  13 18 o 0 204.2  20.5  ?    ?   667.476  17.25        315.71     17.25        66.71       -162.75      
1 1 1 9  13 19 o 0 81.2   8.7   ?    ?   580.395  152.089      93.8048    152.089      236.099     -27.9115     
1 1 1 9  13 20 o 0 165.2  14.6  ?    ?   632.133  176.361      258.348    176.361      97.9594     -3.63862     
1 1 1 9  13 21 o 0 5.9    5.2   ?    ?   248.335  -43.4617     84.3363    136.538      224.672     136.538      
1 1 1 9  13 22 o 0 263.7  18.8  ?    ?   546.426  -84.1544     490.693    -84.1544     165.472     -84.1544     
1 1 1 9  13 23 o 0 202.9  15.2  ?    ?   530.846  -173.305     391.241    -173.305     75.2085     -173.305     
1 1 1 9  13 24 o 0 15.3   5.4   ?    ?   21.4211  154.32       1.65981    154.32       10.9586     -25.6797     
1 1 1 9  13 25 f 1 274.3  20.1  ?    ?   655.775  24.3632      441.976    24.3632      68.6379     24.3632      
1 1 1 9  13 26 o 0 38.1   6.7   ?    ?   118.649  -163.213     129.003    -163.213     65.6523     -163.213     
1 1 1 9  13 27 o 0 270    19.9  ?    ?   774.639  16.1171      383.623    16.1171      24.8514     -163.883     
1 1 1 9  13 28 o 0 80.8   11.6  ?    ?   343.999  -173.776     231.439    -173.776     58.7196     -173.776     
1 1 1 9  13 29 o 0 113.7  13.6  ?    ?   419.224  156.957      281.177    156.957      76.4549     156.957      
1 1 1 9  13 30 o 0 22.7   11.4  ?    ?   136.96   -170.588     69.0312    -170.588     3.11135     -170.588     
1 1 1 9  13 31 o 0 15.4   9.1   ?    ?   138.703  54.2635      50.4465    54.2635      34.9216     -125.737     
1 1 1 9  13 32 o 0 203.9  17.3  ?    ?   586.229  -61.1832     427.73     -61.1832     65.4611     -61.1832     
1 1 1 9  13 33 o 0 36.5   6.4   ?    ?   227.107  -117.293     165.84     -117.293     27.5013     -117.293     
1 1 1 9  13 34 o 0 3.6    6.1   ?    ?   139.494  26.048       7.04126    -153.952     88.7391     -153.952     
1 1 1 9  13 35 o 0 21.6   6.2   ?    ?   191.24   80.1952      107.219    80.1952      0.250234    80.1952      
1 1 1 9  13 36 f 1 5.5    6.4   ?    ?   177.524  -148.642     3.71954    -148.642     92.3834     31.3583      
1 1 1 9  13 37 o 0 5.4    6.8   ?    ?   129.155  -129.864     25.0331    -129.864     39.8469     50.1359      
1 1 1 9  13 38 o 0 1.1    7.7   ?    ?   47.7547  -153.803     22.6508    -153.803     1.298       -153.803     
1 1 1 9  14 0  o 0 45.1   6     ?    ?   169.424  90           134.369    90           20.4179     90           
1 1 1 9  14 1  o 0 7.8    2.3   ?    ?   78.6319  53.53        26.7129    -126.47      79.3777     -126.47      
1 1 1 9  14 2  o 0 555.1  41.9  ?    ?   974.209  72.6285      733.396    72.6285      83.8665     72.6285      
1 1 1 9  14 3  o 0 120.9  9.7   ?    ?   349.261  -33.0255     359.935    -33.0255     128.193     -33.0255     
1 1 1 9  14 4  o 0 51.4   4.9   ?    ?   228.995  -67.2864     166.161    -67.2864     14.9797     -67.2864     
1 1 1 9  14 5  o 0 223.7  18.8  ?    ?   715.391  156.723      381.707    156.723      88.1553     -23.2771     
1 1 1 9  14 6  o 0 408.4  28.7  ?    ?   854.107  -33.5559     601.112    -33.5559     43.0982     -33.5559     
1 1 1 9  14 7  o 0 34.8   3.9   ?    ?   450.525  103.64       2.28038    -76.3598     298.159     -76.3598     
1 1 1 9  14 8  f 1 97.3   8.2   ?    ?   237.81   101.716      319.805    101.716      164.874     101.716      
1 1 1 9  14 9  f 1 83.6   7.3   ?    ?   408.825  81.7491      209.47     81.7491      55.4062     -98.2509     
1 1 1 9  14 10 o 0 466.1  32.7  ?    ?   1114.07  -151.568     498.579    -151.568     221.018     28.4323      
1 1 1 9  14 11 o 0 858.4  59.8  ?    ?   1263.86  -2.91116     775.521    -2.91116     22.8388     -2.91116     
1 1 1 9  14 12 o 0 29.1   3.7   ?    ?   289.02   -62.3881     35.1824    -62.3881     135.927     117.612      
1 1 1 9  14 13 o 0 73.8   6.4   ?    ?   319.676  10.6399      197.28     10.6399      8.59903     10.6399      
1 1 1 9  14 14 o 0 23.6   3.9   ?    ?   164.584  179.167      27.4127    179.167      69.1151     -0.832944    
1 1 1 9  14 15 o 0 1126   84.4  ?    ?   1213.21  -44.6936     994.594    -44.6936     287.741     -44.6936     
1 1 1 9  14 16 o 0 119.3  9.6   ?    ?   710.669  60.0986      122.369    60.0986      288.827     -119.901     
1 1 1 9  14 17 o 0 0.1    3.8   ?    ?   85.2438  -167.928     40.6504    12.0719      89.5091     12.0719      
1 1 1 9  14 18 f 1 35.7   5.9   ?    ?   362.263  -13.0045     42.2602    -13.0045     163.257     166.995      
1 1 1 9  14 19 o 0 129.6  13.3  ?    ?   415.816  -55.2059     291.902    -55.2059     57.3063     -55.2059     
1 1 1 9  14 20 o 0 71.4   9.2   ?    ?   262.62   -83.3218     205.08     -83.3218     56.4862     -83.3218     
1 1 1 9  14 21 o 0 408.6  32.3  ?    ?   1051.23  142.926      409.322    142.926      217.358     -37.074      
1 1 1 9  14 22 o 0 32.7   6.4   ?    ?   336.187  87.7213      46.7557    87.7213      153.793     -92.2787     
1 1 1 9  14 23 o 0 659.4  43.8  ?    ?   990.909  101.067      707.897    101.067      122.755     101.067      
1 1 1 9  14 24 o 0 429.2  29.4  ?    ?   698.518  -71.8731     627.137    -71.8731     227.272     -71.8731     
1 1 1 9  14 25 f 1 73     8.1   ?    ?   365.345  -64.7648     185.684    -64.7648     20.5685     115.235      
1 1 1 9  14 26 o 0 69.5   8     ?    ?   284.222  -168.027     220.02     -168.027     69.5527     -168.027     
1 1 1 9  14 27 o 0 4.2    6.1   ?    ?   235.831  6.79684      53.388     -173.203     172.333     -173.203     
1 1 1 9  14 28 o 0 475.9  46.2  ?    ?   822.036  -27.7348     600.294    -27.7348     191.138     -27.7348     
1 1 1 9  14 29 o 0 51.5   9.3   ?    ?   242.333  131.236      181.963    131.236      64.6593     131.236      
1 1 1 9  14 30 o 0 3.4    8.1   ?    ?   120.004  -146.033     10.9387    33.9673      85.2667     33.9673      
1 1 1 9  14 31 o 0 49.8   8.5   ?    ?   295.306  -156.027     189.919    -156.027     6.15392     -156.027     
1 1 1 9  14 32 o 0 57.6   8.5   ?    ?   440.883  132.057      136.946    132.057      133.666     -47.9427     
1 1 1 9  14 33 f 1 23.8   7.2   ?    ?   120.424  -17.2196     135.935    -17.2196     65.0013     -17.2196     
1 1 1 9  14 34 o 0 18.6   6.1   ?    ?   206.054  59.3752      79.8576    59.3752      36.4369     -120.625     
1 1 1 9  14 35 o 0 0.4    5.9   ?    ?   138.055  89.0874      12.8666    -90.9126     88.524      -90.9126     
1 1 1 9  14 36 o 0 -1.3   6.7   ?    ?   183.533  100.589      18.352     -79.411      111.511     -79.411      
1 1 1 9  14 37 o 0 26.3   6.8   ?    ?   255.83   -1.10412     124.925    -1.10412     9.25887     -1.10412     
1 1 1 9  15 0  o 0 46.8   5.7   ?    ?   256.379  90           171.264    90           1.37511     -90          
1 1 1 9  15 1  o 0 300.4  22.8  ?    ?   731.651  21.1684      511.599    21.1684      20.7271     21.1684      
1 1 1 9  15 2  o 0 180.3  15.2  ?    ?   384.772  95.5843      482.432    95.5843      225.332     95.5843      
1 1 1 9  15 3  o 0 775    63.7  ?    ?   1262.59  -135.612     779.041    -135.612     60.9167     44.3875      
1 1 1 9  15 4  o 0 237.4  16.9  ?    ?   580.581  -14.9333     484.831    -14.9333     100.383     -14.9333     
1 1 1 9  15 5  f 1 457.1  34.5  ?    ?   731.477  -120.146     739.232    -120.146     258.454     -120.146     
1 1 1 9  15 6  o 0 1942.3 144.9 ?    ?   1724.65  -8.20937     1390.19    -8.20937     259.416     -8.20937     
1 1 1 9  15 7  f 1 494.6  40.8  ?    ?   814.346  20.092       729.078    20.092       199.284     20.092       
1 1 1 9  15 8  o 0 306.1  25.5  ?    ?   886.976  165.579      378.288    165.579      155.353     -14.4215     
1 1 1 9  15 9  o 0 226.8  16.3  ?    ?   730.904  106.546      336.591    106.546      100.746     -73.4537     
1 1 1 9  15 10 f 1 16.3   3     ?    ?   380.96   73.9159      72.0129    -106.084     298.097     -106.084     
1 1 1 9  15 11 o 0 645.6  45.2  ?    ?   895.293  171.446      778.729    171.446      247.504     171.446      
1 1 1 9  15 12 o 0 137.9  10.6  ?    ?   594.747  -90.8785     230.793    -90.8785     119.991     89.1215      
1 1 1 9  15 13 o 0 162.3  12.4  ?    ?   617.15   -172.422     269.07     -172.422     92.6675     7.57774      
1 1 1 9  15 14 o 0 44.1   5     ?    ?   422.312  159.636      49.5224    159.636      196.413     -20.3636     
1 1 1 9  15 15 o 0 483.1  33.9  ?    ?   1154.02  -78.7558     440.828    -78.7558     225.244     101.244      
1 1 1 9  15 16 o 0 44.1   5.2   ?    ?   324.063  -85.2447     91.7786    -85.2447     93.9391     94.7553      
1 1 1 9  15 17 f 1 12.2   4     ?    ?   387.411  24.2226      97.45      -155.777     317.254     -155.777     
1 1 1 9  15 18 o 0 207.1  17.3  ?    ?   283.69   -148.73      500.195    -148.73      338.241     -148.73      
1 1 1 9  15 19 o 0 115.6  11.3  ?    ?   264.646  -69.8018     320.794    -69.8018     170.959     -69.8018     
1 1 1 9  15 20 o 0 243.2  18.8  ?    ?   538.567  -4.5344      462.231    -4.5344      140.863     -4.5344      
1 1 1 9  15 21 o 0 62.3   8.3   ?    ?   203.943  -122.71      204.819    -122.71      82.9996     -122.71      
1 1 1 9  15 22 o 0 125.7  12.6  ?    ?   370.496  75.3669      314.944    75.3669      95.7891     75.3669      
1 1 1 9  15 23 o 0 291.1  24.3  ?    ?   862.349  -7.84671     353.097    -7.84671     141.605     172.153      
1 1 1 9  15 24 f 1 234.1  17.5  ?    ?   584.147  30.4347      414.202    30.4347      83.5729     30.4347      
1 1 1 9  15 25 o 0 32     7.1   ?    ?   219.823  -94.1176     104.179    -94.1176     12.5546     85.8824      
1 1 1 9  15 26 o 0 23.4   7.4   ?    ?   74.2808  -114.802     55.087     -114.802     17.4877     -114.802     
1 1 1 9  15 27 o 0 41.1   7.1   ?    ?   231.095  -89.8464     145.062    -89.8464     29.5617     -89.8464     
1 1 1 9  15 28 o 0 141.6  13.6  ?    ?   623.281  178.324      247.654    178.324      55.4708     -1.67595     
1 1 1 9  15 29 o 0 80.7   9.7   ?    ?   553.098  88.7083      129.264    88.7083      148.243     -91.2917     
1 1 1 9  15 30 o 0 -0.4   6.4   ?    ?   109.045  -34.6288     23.4259    145.371      91.6837     145.371      
1 1 1 9  15 31 o 0 25.8   7.6   ?    ?   250.403  133.235      96.5704    133.235      57.7901     -46.7652     
1 1 1 9  15 32 o 0 58.5   7.5   ?    ?   418.526  110.316      153.025    110.316      101.44      -69.6844     
1 1 1 9  15 33 o 0 18.7   7     ?    ?   240.907  67.2259      57.9945    67.2259      82.9242     -112.774     
1 1 1 9  15 34 f 1 37     8.5   ?    ?   172.974  -55.9949     189.178    -55.9949     92.7322     -55.9949     
1 1 1 9  15 35 o 0 12     6     ?    ?   141.786  -13.9367     55.7427    -13.9367     21.217      166.063      
1 1 1 9  15 36 o 0 49.2   7.9   ?    ?   376.275  -55.7423     155.337    -55.7423     33.825      124.258      
1 1 1 9  16 0  o 0 4.2    3.5   ?    ?   4.58136  90           0.270242   90           2.78387     -90          
1 1 1 9  16 1  o 0 26.7   3.2   ?    ?   73.8363  -89.9099     29.9429    -89.9099     19.1228     90.0901      
1 1 1 9  16 2  o 0 1600.1 103.6 ?    ?   1470.7   -140.972     1346.57    -140.972     372.787     -140.972     
1 1 1 9  16 3  o 0 87.6   8.2   ?    ?   459.028  -19.4723     183.605    -19.4723     97.1248     160.528      
1 1 1 9  16 4  o 0 69.6   6.8   ?    ?   258.22   69.3289      209.305    69.3289      52.0608     69.3289      
1 1 1 9  16 5  o 0 577.2  43.5  ?    ?   1030.78  -71.9991     645.991    -71.9991     21.1513     -71.9991     
1 1 1 9  16 6  o 0 861.5  71    ?    ?   1073.53  37.3263      896.477    37.3263      248.841     37.3263      
1 1 1 9  16 7  o 0 104.9  9.1   ?    ?   361.571  -34.7869     273.413    -34.7869     56.3781     -34.7869     
1 1 1 9  16 8  o 0 316.8  24.3  ?    ?   682.342  -135.411     506.295    -135.411     97.5992     -135.411     
1 1 1 9  16 9  o 0 53.7   5.2   ?    ?   376.144  -96.1649     108.476    -96.1649     115.603     83.8351      
1 1 1 9  16 10 o 0 88.8   7.8   ?    ?   350.495  -64.4803     230.162    -64.4803     22.531      -64.4803     
1 1 1 9  16 11 o 0 1183.5 82.3  ?    ?   1311.84  56.4812      994.096    56.4812      221.488     56.4812      
1 1 1 9  16 12 o 0 156.4  12.7  ?    ?   782.983  120.628      165.912    120.628      292.439     -59.3719     
1 1 1 9  16 13 o 0 98     8.6   ?    ?   202.305  -179.3       293.451    -179.3       176.024     -179.3       
1 1 1 9  16 14 o 0 227.1  17.9  ?    ?   688.245  124.343      347.492    124.343      49.3719     -55.6567     
1 1 1 9  16 15 o 0 159.4  12.1  ?    ?   448.841  -94.3392     344.539    -94.3392     87.5047     -94.3392     
1 1 1 9  16 16 o 0 374.2  27    ?    ?   789.622  -44.3446     502.611    -44.3446     53.6915     -44.3446     
1 1 1 9  16 17 o 0 48.5   6.1   ?    ?   308.169  133.254      116.385    133.254      59.4909     -46.7461     
1 1 1 9  16 18 o 0 6.8    4.6   ?    ?   36.5623  -125.73      11.5657    54.27        33.5739     54.27        
1 1 1 9  16 19 o 0 162.4  13.2  ?    ?   689.523  143.757      228.868    143.757      186.935     -36.2426     
1 1 1 9  16 20 o 0 140.4  11    ?    ?   342.298  -130.456     365.493    -130.456     160.909     -130.456     
1 1 1 9  16 21 o 0 471.3  34    ?    ?   667.132  -31.1445     692.402    -31.1445     297.406     -31.1445     
1 1 1 9  16 22 o 0 11.1   5     ?    ?   232.916  -163.965     34.1718    16.0347      167.968     16.0347      
1 1 1 9  16 23 o 0 54.8   7.8   ?    ?   596.08   -12.6801     31.4654    -12.6801     289.287     167.32       
1 1 1 9  16 24 o 0 101.7  11.4  ?    ?   447.799  -103.383     236.229    -103.383     2.09316     76.6168      
1 1 1 9  16 25 o 0 97.1   12.7  ?    ?   484.806  -158.754     214.077    -158.754     31.9825     21.2459      
1 1 1 9  16 26 f 1 28.6   6.4   ?    ?   262.265  -40.483      83.7484    -40.483      47.4113     139.517      
1 1 1 9  16 27 o 0 116.8  12.8  ?    ?   494.813  -160.337     255.092    -160.337     13.5496     -160.337     
1 1 1 9  16 28 o 0 41.6   7.1   ?    ?   430.434  66.5815      68.3512    66.5815      148.535     -113.418     
1 1 1 9  16 29 o 0 58.5   8.3   ?    ?   277.356  -2.5903      236.949    -2.5903      62.4936     -2.5903      
1 1 1 9  16 30 o 0 37.7   7.4   ?    ?   123.052  -152.493     201.934    -152.493     125.665     -152.493     
1 1 1 9  16 31 o 0 9.7    6.6   ?    ?   130.419  -4.30697     27.5481    -4.30697     52.2275     175.693      
1 1 1 9  16 32 o 0 60.1   9.4   ?    ?   334.603  9.24612      206.51     9.24612      9.47532     9.24612      
1 1 1 9  16 33 o 0 68.3   7.9   ?    ?   307.063  147.333      253.282    147.333      80.3721     147.333      
1 1 1 9  16 34 o 0 1.3    7.2   ?    ?   72.0227  22.7458      8.24352    22.7458      31.1617     -157.254     
1 1 1 9  16 35 o 0 3.3    7     ?    ?   84.2737  174.025      20.595     174.025      22.1381     -5.97469     
1 1 1 9  16 36 o 0 1.4    6.1   ?    ?   43.7338  -138.525     16.0773    -138.525     3.68874     41.4752      
1 1 1 9  17 0  o 0 111.2  11.5  ?    ?   354.244  -90          282.375    -90          65.7241     -90          
1 1 1 9  17 1  o 0 144.2  10.1  ?    ?   487.963  -46.6396     312.307    -46.6396     14.6897     -46.6396     
1 1 1 9  17 2  o 0 1929.3 124.8 ?    ?   1563.89  -31.4985     1381.62    -31.4985     427.91      -31.4985     
1 1 1 9  17 3  o 0 310.2  22.2  ?    ?   929.266  59.5862      361.564    59.5862      203.095     -120.414     
1 1 1 9  17 4  o 0 172.9  12.9  ?    ?   545.586  -166.715     338.904    -166.715     8.69404     -166.715     
1 1 1 9  17 5  o 0 167.3  14.6  ?    ?   661.421  44.922       262.23     44.922       136.378     -135.078     
1 1 1 9  17 6  o 0 1151.2 105.5 ?    ?   1591.35  -152.345     812.575    -152.345     142.088     27.6554      
1 1 1 9  17 7  o 0 171.3  13.8  ?    ?   599.317  85.0317      302.057    85.0317      55.7455     -94.9683     
1 1 1 9  17 8  o 0 203.7  14.9  ?    ?   585.308  -30.0284     370.401    -30.0284     22.734      -30.0284     
1 1 1 9  17 9  o 0 12.7   2.8   ?    ?   272.724  -22.7583     55.9812    157.242      217.116     157.242      
1 1 1 9  17 10 o 0 206.3  15.2  ?    ?   880.188  -81.4269     208.551    -81.4269     308.604     98.5731      
1 1 1 9  17 11 o 0 332.9  25.6  ?    ?   535.037  -27.7674     595.99     -27.7674     284.13      -27.7674     
1 1 1 9  17 12 o 0 229    19.9  ?    ?   761.115  127.463      312.165    127.463      128.773     -52.5368     
1 1 1 9  17 13 o 0 70.5   7.3   ?    ?   476.144  4.76491      116.408    4.76491      157.682     -175.235     
1 1 1 9  17 14 o 0 138.9  11.8  ?    ?   656.348  -121.72      195.489    -121.72      179.816     58.2802      
1 1 1 9  17 15 o 0 1223.6 85.2  ?    ?   1429.44  95.3229      910.097    95.3229      89.0932     95.3229      
1 1 1 9  17 16 o 0 913.8  76.2  ?    ?   1268.56  64.3599      755.066    64.3599      31.8161     64.3599      
1 1 1 9  17 17 o 0 122.6  11.5  ?    ?   640.247  -101.666     172.124    -101.666     212.974     78.3343      
1 1 1 9  17 18 o 0 52.7   5.4   ?    ?   461.155  60.8809      68.4411    60.8809      209.52      -119.119     
1 1 1 9  17 19 o 0 798.9  52.5  ?    ?   793.467  -138.14      961.898    -138.14      487.735     -138.14      
1 1 1 9  17 20 o 0 87.9   9.8   ?    ?   159.159  35.0522      297.633    35.0522      205.277     35.0522      
1 1 1 9  17 21 o 0 40.6   7.7   ?    ?   221.653  74.1543      130.565    74.1543      3.16862     74.1543      
1 1 1 9  17 22 o 0 8.4    6.1   ?    ?   103.076  10.8491      9.71833    -169.151     65.2361     -169.151     
1 1 1 9  17 23 o 0 86.4   8.7   ?    ?   343.986  -80.9625     245.176    -80.9625     61.8555     -80.9625     
1 1 1 9  17 24 o 0 21.9   6.7   ?    ?   276.57   162.202      46.2284    162.202      94.396      -17.7985     
1 1 1 9  17 25 o 0 24.1   6.5   ?    ?   150.08   -158.436     79.6571    -158.436     4.23655     -158.436     
1 1 1 9  17 26 o 0 29.2   6.2   ?    ?   254.981  63.8081      95.0252    63.8081      29.7889     -116.192     
1 1 1 9  17 27 o 0 4.4    5.5   ?    ?   176.472  -122.453     28.9846    57.5474      118.198     57.5474      
1 1 1 9  17 28 o 0 12.6   5.8   ?    ?   142.866  -136.063     44.3726    -136.063     45.8337     43.937       
1 1 1 9  17 29 o 0 3.1    6     ?    ?   92.4512  167.843      9.63255    -12.1573     67.1859     -12.1573     
1 1 1 9  17 30 o 0 1.1    8.3   ?    ?   33.8433  55.6167      1.23194    55.6167      19.5725     -124.383     
1 1 1 9  17 31 o 0 27.6   8.9   ?    ?   149.537  -60.0548     145.096    -60.0548     56.5493     -60.0548     
1 1 1 9  17 32 o 0 58.6   8.1   ?    ?   359.813  -14.4281     193.123    -14.4281     10.7446     165.572      
1 1 1 9  17 33 o 0 22.7   5.9   ?    ?   157.187  -133.402     131.208    -133.402     44.6211     -133.402     
1 1 1 9  17 34 o 0 27.6   6.3   ?    ?   183.433  176.33       153.272    176.33       59.5639     176.33       
1 1 1 9  17 35 o 0 20.8   9.6   ?    ?   179.632  -179.439     105.763    -179.439     23.9167     -179.439     
1 1 1 9  18 0  o 0 3.4    4.5   ?    ?   7.32952  -90          0.357183   -90          4.08778     90           
1 1 1 9  18 1  o 0 307.9  20.6  ?    ?   941.447  171.149      349.615    171.149      220.001     -8.85095     
1 1 1 9  18 2  o 0 39.4   4.8   ?    ?   298.923  -159.806     81.673     -159.806     98.6815     20.1937      
1 1 1 9  18 3  o 0 332.5  22.1  ?    ?   795.905  102.083      467.69     102.083      10.9625     -77.9168     
1 1 1 9  18 4  o 0 65.6   6.4   ?    ?   139.327  89.0238      182.72     89.0238      99.2341     89.0238      
1 1 1 9  18 5  o 0 1073.5 80.5  ?    ?   1450.91  85.0343      837.82     85.0343      28.1065     -94.9657     
1 1 1 9  18 6  o 0 359.3  27.9  ?    ?   599.398  56.769       607.413    56.769       251.229     56.769       
1 1 1 9  18 7  o 0 1718.1 118.8 ?    ?   1635.11  -127.622     1161.69    -127.622     194.553     -127.622     
1 1 1 9  18 8  o 0 125.4  9.7   ?    ?   420.082  -113.031     292.86     -113.031     46.1476     -113.031     
1 1 1 9  18 9  o 0 108.2  8.3   ?    ?   620.917  -162.248     147.41     -162.248     215.349     17.7516      
1 1 1 9  18 10 o 0 388.4  27.4  ?    ?   854.525  -109.301     496.589    -109.301     0.0954715   -109.301     
1 1 1 9  18 11 o 0 308.9  22.2  ?    ?   598.436  173.945      524.126    173.945      178.438     173.945      
1 1 1 9  18 12 o 0 51.2   6     ?    ?   326.507  -20.9044     117.916    -20.9044     69.5419     159.096      
1 1 1 9  18 13 o 0 22.1   4.6   ?    ?   110.73   -166.382     27.7392    -166.382     36.1555     13.6177      
1 1 1 9  18 14 o 0 352.1  30    ?    ?   770.054  -34.861      477.16     -34.861      35.8069     -34.861      
1 1 1 9  18 15 o 0 643.7  60.1  ?    ?   828.27   38.5522      807.343    38.5522      306.193     38.5522      
1 1 1 9  18 16 o 0 292.8  26.3  ?    ?   763.767  128.515      414.056    128.515      49.357      -51.4852     
1 1 1 9  18 17 o 0 7.1    6.2   ?    ?   167.68   19.4904      46.3846    -160.51      147.325     -160.51      
1 1 1 9  18 18 o 0 49.9   5.9   ?    ?   257.84   120.506      148.437    120.506      5.49634     -59.4943     
1 1 1 9  18 19 o 0 178.5  16.3  ?    ?   264.865  -57.5849     480.477    -57.5849     326.879     -57.5849     
1 1 1 9  18 20 o 0 121.2  12.3  ?    ?   515.854  -105.96      237.361    -105.96      59.0467     74.0401      
1 1 1 9  18 21 o 0 40     5.3   ?    ?   109.032  81.3396      133.651    81.3396      74.9196     81.3396      
1 1 1 9  18 22 o 0 24.9   4.9   ?    ?   228.189  -49.6744     68.8344    -49.6744     52.8346     130.326      
1 1 1 9  18 23 o 0 57.5   7     ?    ?   263.513  32.3207      197.752    32.3207      63.6444     32.3207      
1 1 1 9  18 24 o 0 8.6    5.1   ?    ?   178.951  126.395      9.84599    -53.6046     98.6481     -53.6046     
1 1 1 9  18 25 o 0 9.9    5.5   ?    ?   281.078  -140.154     28.5993    39.8463      166.439     39.8463      
1 1 1 9  18 26 o 0 23     7.3   ?    ?   282.493  -174.332     52.5406    -174.332     90.6009     5.66754      
1 1 1 9  18 27 o 0 -2.2   8.3   ?    ?   39.2639  156.927      4.54156    -23.0729     29.4031     -23.0729     
1 1 1 9  18 28 o 0 36.8   7     ?    ?   214.127  9.62081      174.63     9.62081      40.8819     9.62081      
1 1 1 9  18 29 o 0 25.2   6.9   ?    ?   176.372  -102.191     128.64     -102.191     19.7944     -102.191     
1 1 1 9  18 30 f 1 29.2   7.4   ?    ?   247.944  40.1285      122.959    40.1285      24.1389     -139.871     
1 1 1 9  18 31 o 0 15.4   6.6   ?    ?   253.939  -73.4988     34.5031    -73.4988     110.107     106.501      
1 1 1 9  18 32 f 1 80.4   9.1   ?    ?   459.799  -14.3799     213.199    -14.3799     40.8654     165.62       
1 1 1 9  18 33 o 0 -2     6.3   ?    ?   177.403  129.337      22.1838    -50.6631     113.382     -50.6631     
1 1 1 9  18 34 o 0 25     6.8   ?    ?   282.975  -150.983     108.323    -150.983     21.5029     29.0167      
1 1 1 9  19 0  o 0 176    17.5  ?    ?   318.824  90           349.008    90           158.426     90           
1 1 1 9  19 1  o 0 801    52.2  ?    ?   1323.13  174.176      686.996    174.176      102.401     -5.82428     
1 1 1 9  19 2  o 0 537    35.4  ?    ?   640.295  147.765      810.236    147.765      429.158     147.765      
1 1 1 9  19 3  f 1 196.1  13.7  ?    ?   641.03   -1.84894     329.083    -1.84894     50.3473     178.151      
1 1 1 9  19 4  o 0 93.4   9.2   ?    ?   302.91   38.7494      264.121    38.7494      84.9632     38.7494      
1 1 1 9  19 5  o 0 97.1   9.4   ?    ?   306.761  -11.6803     271.812    -11.6803     91.0525     -11.6803     
1 1 1 9  19 6  o 0 510    38.9  ?    ?   864.653  87.5689      642.874    87.5689      135.464     87.5689      
1 1 1 9  19 7  o 0 1309.1 85    ?    ?   1708.73  -157.588     849.401    -157.588     148.887     22.4121      
1 1 1 9  19 8  f 1 95     7.7   ?    ?   381.369  54.4147      233.025    54.4147      11.8549     54.4147      
1 1 1 9  19 9  o 0 149.1  11.4  ?    ?   468.237  -168.496     317.217    -168.496     46.3603     -168.496     
1 1 1 9  19 10 o 0 83.9   7.4   ?    ?   554.548  58.1544      115.319    58.1544      207.401     -121.846     
1 1 1 9  19 11 o 0 266    20.9  ?    ?   503.182  43.3234      502.796    43.3234      211.653     43.3234      
1 1 1 9  19 12 o 0 181.6  16.6  ?    ?   533.677  -71.6327     362.88     -71.6327     36.5743     -71.6327     
1 1 1 9  19 13 o 0 30     6     ?    ?   257.162  160.496      58.2974    160.496      97.9282     -19.5038     
1 1 1 9  19 14 o 0 193    18.7  ?    ?   526.037  -54.3955     383.316    -54.3955     62.6398     -54.3955     
1 1 1 9  19 15 o 0 508    43.4  ?    ?   810.309  -85.0186     665.376    -85.0186     174.938     -85.0186     
1 1 1 9  19 16 f 1 48.2   9.5   ?    ?   530.231  -132.932     13.9804    -132.932     303.702     47.0676      
1 1 1 9  19 17 o 0 24.7   6.5   ?    ?   269.044  136.408      43.6955    136.408      113.405     -43.5924     
1 1 1 9  19 18 o 0 59.9   8.4   ?    ?   272.752  -94.279      187.687    -94.279      29.7544     -94.279      
1 1 1 9  19 19 o 0 66.4   8.6   ?    ?   499.013  146.014      118.273    146.014      152.828     -33.9856     
1 1 1 9  19 20 o 0 76.9   7.9   ?    ?   184.893  155.296      273.576    155.296      174.06      155.296      
1 1 1 9  19 21 o 0 41.2   5.9   ?    ?   136.186  -94.9738     158.232    -94.9738     88.2049     -94.9738     
1 1 1 9  19 22 o 0 50.1   5.7   ?    ?   219.889  -84.1016     185.705    -84.1016     73.7981     -84.1016     
1 1 1 9  19 23 o 0 4.5    4.6   ?    ?   186.246  0.154345     38.3895    -179.846     130.852     -179.846     
1 1 1 9  19 24 o 0 122.6  11.4  ?    ?   541.516  144.046      248.734    144.046      17.0576     -35.954      
1 1 1 9  19 25 o 0 66.6   10.5  ?    ?   184.815  -13.5031     306.652    -13.5031     190.278     -13.5031     
1 1 1 9  19 26 o 0 17.5   6.7   ?    ?   135.091  -109.832     81.8033    -109.832     3.8924      70.168       
1 1 1 9  19 27 f 1 33.2   7.3   ?    ?   207.626  -15.3135     159.39     -15.3135     29.7325     -15.3135     
1 1 1 9  19 28 o 0 2.8    6.5   ?    ?   36.0968  101.637      0.335736   -78.3627     22.6763     -78.3627     
1 1 1 9  19 29 f 1 150.4  14.1  ?    ?   567.788  -138.869     328.62     -138.869     9.38282     41.1308      
1 1 1 9  19 30 f 1 15.9   6.4   ?    ?   107.771  -169.573     84.4527    -169.573     22.9945     -169.573     
1 1 1 9  19 31 o 0 61.9   9.8   ?    ?   364.68   -106.706     200.801    -106.706     2.14628     73.2937      
1 1 1 9  19 32 o 0 9.2    6.5   ?    ?   65.4153  -124.767     46.295     -124.767     12.4932     -124.767     
1 1 1 9  19 33 o 0 37.9   6.3   ?    ?   278.898  87.9427      175.918    87.9427      47.2244     87.9427      
1 1 1 9  20 0  o 0 7.8    5.5   ?    ?   64.4196  -90          6.52548    -90          31.4837     90           
1 1 1 9  20 1  o 0 51.1   5.5   ?    ?   94.5604  -8.09658     110.347    -8.09658     54.641      -8.09658     
1 1 1 9  20 2  o 0 1093.2 71.2  ?    ?   1242.52  114.661      966.554    114.661      236.118     114.661      
1 1 1 9  20 3  o 0 37.1   4.8   ?    ?   159.801  -34.771      89.7232    -34.771      3.97584     145.229      
1 1 1 9  20 4  o 0 22.9   4.4   ?    ?   305.056  -41.2709     0.421994   -41.2709     177.903     138.729      
1 1 1 9  20 5  o 0 260.5  21.1  ?    ?   784.362  -139.386     349.645    -139.386     112.541     40.6139      
1 1 1 9  20 6  o 0 352.4  27.7  ?    ?   537.11   -82.393      617.952    -82.393      302.686     -82.393      
1 1 1 9  20 7  o 0 763.6  57.7  ?    ?   943.52   13.19        836.417    13.19        284.962     13.19        
1 1 1 9  20 8  o 0 65.1   6.3   ?    ?   481.778  155.289      96.9652    155.289      183.313     -24.7112     
1 1 1 9  20 9  o 0 30.5   5.2   ?    ?   220.195  58.1159      70.0414    58.1159      65.4752     -121.884     
1 1 1 9  20 10 o 0 11.5   4.3   ?    ?   188.321  172.04       35.3137    -7.95951     150.594     -7.95951     
1 1 1 9  20 11 o 0 167.3  13.9  ?    ?   253.856  139.717      471.166    139.717      315.061     139.717      
1 1 1 9  20 12 o 0 31.4   5.3   ?    ?   260.082  52.5145      71.1637    52.5145      87.7998     -127.485     
1 1 1 9  20 13 o 0 25.7   6.2   ?    ?   68.3021  -153.48      36.7936    -153.48      4.68451     26.5204      
1 1 1 9  20 14 o 0 76.1   10    ?    ?   273.758  130.985      232.328    130.985      67.2138     130.985      
1 1 1 9  20 15 o 0 243    22.7  ?    ?   298.854  -176.776     586.046    -176.776     410.694     -176.776     
1 1 1 9  20 16 o 0 122.2  13.8  ?    ?   558.721  -133.537     219.383    -133.537     105.952     46.463       
1 1 1 9  20 17 o 0 16.5   6.2   ?    ?   138.83   -177.881     29.2723    -177.881     46.6345     2.11942      
1 1 1 9  20 18 o 0 73.6   9.2   ?    ?   266.146  -156.771     243.972    -156.771     99.6843     -156.771     
1 1 1 9  20 19 o 0 66.3   8.8   ?    ?   358.882  21.0492      181.765    21.0492      11.0643     -158.951     
1 1 1 9  20 20 o 0 116.3  12.2  ?    ?   492.409  115.559      260.159    115.559      7.29946     115.559      
1 1 1 9  20 21 o 0 57.3   8.3   ?    ?   274.303  -159.507     191.809    -159.507     52.3407     -159.507     
1 1 1 9  20 22 o 0 24     4.7   ?    ?   247.535  166.694      74.3195    166.694      48.5055     -13.3056     
1 1 1 9  20 23 o 0 57.1   6.8   ?    ?   380.81   25.4982      147.106    25.4982      48.4201     -154.502     
1 1 1 9  20 24 o 0 67.5   8.1   ?    ?   323.085  50.3472      249.823    50.3472      46.3085     50.3472      
1 1 1 9  20 25 o 0 29.1   5.3   ?    ?   263.386  156.48       115.943    156.48       51.2765     -23.5196     
1 1 1 9  20 26 o 0 19.4   5.1   ?    ?   71.5131  -169.824     93.7499    -169.824     48.8186     -169.824     
1 1 1 9  20 27 o 0 2.8    5     ?    ?   85.7369  98.6765      11.4924    -81.3235     64.653      -81.3235     
1 1 1 9  20 28 o 0 167.7  18.2  ?    ?   545.077  77.0081      372.503    77.0081      46.4153     77.0081      
1 1 1 9  20 29 o 0 1.1    8     ?    ?   151.887  -107.689     5.60358    72.3111      92.6949     72.3111      
1 1 1 9  20 30 o 0 15.1   6.4   ?    ?   222.146  -158.951     51.1959    -158.951     72.8583     21.0493      
1 1 1 9  20 31 o 0 25.9   8.9   ?    ?   257.931  42.6905      101.344    42.6905      32.4741     -137.31      
1 1 1 9  20 32 o 0 102.2  10.9  ?    ?   534.85   -148.895     265.525    -148.895     17.5836     -148.895     
1 1 1 9  21 0  o 0 -3.8   5.7   ?    ?   24.0977  90           0.640811   90           13.544      -90          
1 1 1 9  21 1  o 0 125.3  9.9   ?    ?   291.466  -98.6421     347.298    -98.6421     175.94      -98.6421     
1 1 1 9  21 2  o 0 81.1   7.4   ?    ?   296.396  8.0935       231.135    8.0935       57.1872     8.0935       
1 1 1 9  21 3  o 0 53.5   6.4   ?    ?   330.111  34.1367      137.385    34.1367      68.1226     -145.863     
1 1 1 9  21 4  o 0 5.9    4.4   ?    ?   203.283  -124.298     76.6298    55.702       202.831     55.702       
1 1 1 9  21 5  f 1 93.6   9.9   ?    ?   511.831  -114.614     174.369    -114.614     141.544     65.3856      
1 1 1 9  21 6  o 0 158.5  13.8  ?    ?   574.779  -1.45145     295.471    -1.45145     58.9074     178.549      
1 1 1 9  21 7  f 1 930.4  77.1  ?    ?   1098.87  66.7499      923.13     66.7499      243.172     66.7499      
1 1 1 9  21 8  o 0 125.5  11.4  ?    ?   401.684  -121.655     313.038    -121.655     64.9605     -121.655     
1 1 1 9  21 9  o 0 38.1   4.7   ?    ?   197.351  -5.06798     116.996    -5.06798     4.29283     174.932      
1 1 1 9  21 10 o 0 36.3   4.5   ?    ?   257.758  -85.8606     95.3477    -85.8606     62.2328     94.1394      
1 1 1 9  21 11 o 0 128.5  11.2  ?    ?   778.033  138.032      105.206    138.032      367.761     -41.9682     
1 1 1 9  21 12 o 0 147.6  13.9  ?    ?   485.239  79.1001      320.864    79.1001      33.5658     79.1001      
1 1 1 9  21 13 o 0 16.7   7     ?    ?   85.1705  -112.311     16.8558    -112.311     33.2477     67.6889      
1 1 1 9  21 14 o 0 142    15.3  ?    ?   616.138  106.778      232.982    106.778      127.003     -73.2223     
1 1 1 9  21 15 o 0 149.4  16.8  ?    ?   476.487  -133.657     337.54     -133.657     75.9221     -133.657     
1 1 1 9  21 16 o 0 58.5   8.5   ?    ?   353.483  146.322      161.923    146.322      30.6735     -33.6779     
1 1 1 9  21 17 o 0 37.8   7.4   ?    ?   204.795  30.7875      134.313    30.7875      23.6311     30.7875      
1 1 1 9  21 18 o 0 15.7   6.8   ?    ?   56.641   173.859      19.4175    173.859      9.86386     -6.14089     
1 1 1 9  21 19 o 0 190.3  17.5  ?    ?   637.093  62.3429      336.462    62.3429      10.0698     62.3429      
1 1 1 9  21 20 o 0 12.6   6.2   ?    ?   284.937  72.2748      11.3179    -107.725     153.907     -107.725     
1 1 1 9  21 21 o 0 10.2   8.3   ?    ?   191.367  -49.3143     2.81192    -49.3143     91.9988     130.686      
1 1 1 9  21 22 o 0 3.4    8.1   ?    ?   79.669   134.943      4.89118    -45.0575     55.6009     -45.0575     
1 1 1 9  21 23 o 0 127.9  14.6  ?    ?   486.282  20.6036      331.324    20.6036      19.0452     20.6036      
1 1 1 9  21 24 o 0 10.5   4.4   ?    ?   80.9857  -38.0181     29.621     -38.0181     21.7865     141.982      
1 1 1 9  21 25 o 0 10.3   4.5   ?    ?   114.561  174.749      34.6204    174.749      37.3791     -5.25105     
1 1 1 9  21 26 o 0 6.6    5     ?    ?   36.7318  -13.5862     8.68751    -13.5862     13.6104     166.414      
1 1 1 9  21 27 o 0 41.5   6.5   ?    ?   356.569  -15.434      127.342    -15.434      86.2496     164.566      
1 1 1 9  21 28 o 0 7.7    5.2   ?    ?   169.305  79.6078      11.9586    79.6078      85.2978     -100.392     
1 1 1 9  21 29 o 0 5.1    6.5   ?    ?   170.093  70.6937      4.42031    70.6937      90.7906     -109.306     
1 1 1 9  21 30 o 0 33.1   11.2  ?    ?   116.089  7.59528      179.921    7.59528      119.517     7.59528      
1 1 1 9  21 31 o 0 0.7    6.4   ?    ?   98.263   111.974      20.7774    111.974      24.9336     -68.0261     
1 1 1 9  22 0  o 0 15.8   6.6   ?    ?   30.947   90           9.46766    90           9.81644     -90          
1 1 1 9  22 1  o 0 324    22.1  ?    ?   748.288  3.19858      484.157    3.19858      18.297      3.19858      
1 1 1 9  22 2  o 0 433.6  31.3  ?    ?   748.669  81.0892      632.908    81.0892      167.497     81.0892      
1 1 1 9  22 3  o 0 254.1  19.3  ?    ?   752.215  133.948      369.551    133.948      97.1285     -46.052      
1 1 1 9  22 4  o 0 11.3   6.2   ?    ?   83.9104  -78.6175     9.83276    101.383      61.7607     101.383      
1 1 1 9  22 5  o 0 47.4   6.9   ?    ?   265.031  85.8132      140.924    85.8132      22.5998     -94.1868     
1 1 1 9  22 6  o 0 1070   80.6  ?    ?   1213.01  -32.8405     960.504    -32.8405     214.661     -32.8405     
1 1 1 9  22 7  o 0 520.2  40    ?    ?   791.023  -130.243     700.227    -130.243     215.748     -130.243     
1 1 1 9  22 8  f 1 115.6  9.8   ?    ?   228.359  49.4985      371.201    49.4985      235.096     49.4985      
1 1 1 9  22 9  o 0 41.6   5.8   ?    ?   227.545  -6.1433      138.717    -6.1433      3.3926      -6.1433      
1 1 1 9  22 10 f 1 80.8   8.3   ?    ?   448.797  18.0537      175.762    18.0537      89.0842     -161.946     
1 1 1 9  22 11 o 0 80.3   8.2   ?    ?   356.742  -105.194     218.746    -105.194     8.85751     -105.194     
1 1 1 9  22 12 o 0 7.4    6.2   ?    ?   277.836  169.258      61.0286    -10.7417     214.836     -10.7417     
1 1 1 9  22 13 o 0 58     9.4   ?    ?   210.477  27.4411      213.29     27.441       97.517      27.441       
1 1 1 9  22 14 o 0 13.2   6.9   ?    ?   42.8728  72.962       6.38381    72.962       17.0376     -107.038     
1 1 1 9  22 15 o 0 131.7  13.2  ?    ?   516.663  16.6174      288.268    16.6174      17.9308     16.6174      
1 1 1 9  22 16 o 0 28     6.7   ?    ?   305.32   -56.0464     68.7443    -56.0464     89.7835     123.954      
1 1 1 9  22 17 o 0 14.9   6.7   ?    ?   59.778   -133.082     17.2771    -133.082     13.5085     46.9184      
1 1 1 9  22 18 o 0 10     6.6   ?    ?   141.023  24.1094      6.58151    24.1094      64.4231     -155.891     
1 1 1 9  22 19 o 0 34.7   9.1   ?    ?   321.326  108.34       94.161     108.34       66.16       -71.6597     
1 1 1 9  22 20 o 0 85.6   12.4  ?    ?   504.377  -115.151     167.663    -115.151     93.0953     64.8492      
1 1 1 9  22 21 o 0 22.1   6.8   ?    ?   222.478  -12.7823     87.032     -12.7823     54.276      167.218      
1 1 1 9  22 22 o 0 8.9    7.6   ?    ?   122.507  -134.146     22.707     -134.146     55.8324     45.8539      
1 1 1 9  22 23 o 0 31.9   7.9   ?    ?   226.32   91.0495      147.554    91.0495      3.7527      91.0495      
1 1 1 9  22 24 o 0 21.2   11.9  ?    ?   304.625  5.49484      28.9397    5.49484      162.368     -174.505     
1 1 1 9  22 25 o 0 59.5   10.4  ?    ?   253.588  -76.9284     251.408    -76.9284     97.5096     -76.9284     
1 1 1 9  22 26 o 0 6.1    4.2   ?    ?   90.2784  90.9551      12.0031    90.9551      40.5952     -89.0449     
1 1 1 9  22 27 o 0 22.6   5     ?    ?   322.69   -80.9533     56.553     -80.9533     128.952     99.0467      
1 1 1 9  22 28 o 0 133.5  11.4  ?    ?   511.467  -82.5425     326.395    -82.5425     39.7333     -82.5425     
1 1 1 9  22 29 o 0 0.9    5.2   ?    ?   110.441  61.325       1.86857    -118.675     59.4382     -118.675     
1 1 1 9  22 30 o 0 7.1    8.7   ?    ?   132.7    22.4715      52.6       22.4715      9.27697     -157.529     
1 1 1 9  23 0  o 0 16.9   7.3   ?    ?   293.163  -90          77.4182    -90          98.8476     90           
1 1 1 9  23 1  o 0 362.3  26.6  ?    ?   757.108  27.0904      535.634    27.0904      80.6964     27.0904      
1 1 1 9  23 2  o 0 179.4  16.5  ?    ?   464.541  90.0298      401.921    90.0298      123.114     90.0298      
1 1 1 9  23 3  o 0 103.6  12    ?    ?   460.24   -147.384     233.469    -147.384     42.2772     32.6164      
1 1 1 9  23 4  f 1 105.2  10.5  ?    ?   455.867  -20.1836     240.687    -20.1836     31.1212     159.816      
1 1 1 9  23 5  o 0 29.1   5.2   ?    ?   255.425  19.7089      73.1628    19.7089      79.104      -160.291     
1 1 1 9  23 6  o 0 6.7    5.6   ?    ?   206.051  -8.31382     55.3016    171.686      177.736     171.686      
1 1 1 9  23 7  o 0 112.8  10.9  ?    ?   630.768  -158.412     161.438    -158.412     211.968     21.5877      
1 1 1 9  23 8  o 0 6.9    4.6   ?    ?   167.701  141.9        44.0039    -38.1001     142.866     -38.1001     
1 1 1 9  23 9  o 0 1      4.2   ?    ?   140.313  -172.272     53.2758    7.7275       131.213     7.7275       
1 1 1 9  23 10 o 0 182.7  14    ?    ?   691.783  -170.438     297.685    -170.438     84.6236     9.56227      
1 1 1 9  23 11 o 0 634.8  42.3  ?    ?   933.874  -15.7398     754.805    -15.7398     241.54      -15.7398     
1 1 1 9  23 12 f 1 119.6  13.9  ?    ?   542.193  -58.753      238.039    -58.753      57.4267     121.247      
1 1 1 9  23 13 o 0 6.2    7.1   ?    ?   160.062  54.2502      20.2531    -125.75      104.086     -125.75      
1 1 1 9  23 14 o 0 227.2  22.3  ?    ?   663.7    -51.4826     391.02     -51.4826     45.7683     -51.4826     
1 1 1 9  23 15 o 0 293.7  24.6  ?    ?   795.19   155.975      423.963    155.975      13.308      155.975      
1 1 1 9  23 16 o 0 33.7   7.1   ?    ?   180.036  -55.5277     136.467    -55.5277     45.4879     -55.5277     
1 1 1 9  23 17 o 0 4.3    8.9   ?    ?   109.317  -58.8013     5.86005    121.199      60.6517     121.199      
1 1 1 9  23 18 o 0 18.2   6.8   ?    ?   45.1152  33.45        33.3791    33.45        9.92638     33.45        
1 1 1 9  23 19 o 0 98.8   11.3  ?    ?   436.517  170.938      290.172    170.938      11.1268     170.938      
1 1 1 9  23 20 o 0 15.8   6.7   ?    ?   263.542  -162.322     23.6705    -162.322     146.54      17.6776      
1 1 1 9  23 21 f 1 31.8   7.6   ?    ?   248.921  17.0284      135.565    17.0284      23.169      -162.972     
1 1 1 9  23 22 o 0 4.8    8.6   ?    ?   66.1733  -69.8972     12.1182    -69.8972     29.8311     110.103      
1 1 1 9  23 23 o 0 72.2   12.6  ?    ?   221.027  28.2848      311.632    28.2848      176.091     28.2848      
1 1 1 9  23 24 o 0 5.4    6.8   ?    ?   187.511  3.06694      8.87286    -176.933     122.517     -176.933     
1 1 1 9  23 25 o 0 27     7.3   ?    ?   353.678  -77.6459     61.3501    -77.6459     144.535     102.354      
1 1 1 9  23 26 o 0 9.9    7.2   ?    ?   144.493  143.405      43.7675    143.405      38.3284     -36.5946     
1 1 1 9  23 27 o 0 14.3   4.4   ?    ?   164.431  -123.147     87.5538    -123.147     0.566095    -123.147     
1 1 1 9  23 28 o 0 26.8   5.5   ?    ?   309.868  -108.643     97.7467    -108.643     63.8917     71.3573      
1 1 1 9  23 29 o 0 51.3   6.8   ?    ?   385.245  145.852      184.928    145.852      5.06802     145.852      
1 1 1 9  24 0  o 0 26.5   10.4  ?    ?   138.785  -90          75.044     -90          2.67404     90           
1 1 1 9  24 1  f 1 15.9   5.8   ?    ?   178.136  115.298      23.8109    115.298      75.654      -64.7021     
1 1 1 9  24 2  o 0 830.3  63.4  ?    ?   1287.6   -153.836     747.211    -153.836     27.0661     -153.836     
1 1 1 9  24 3  f 1 131.5  12.5  ?    ?   439.011  152.284      325.139    152.284      80.5973     152.284      
1 1 1 9  24 4  o 0 90.1   8.6   ?    ?   401.697  14.546       240.138    14.546       16.258      14.546       
1 1 1 9  24 5  o 0 60.8   7.8   ?    ?   226.892  156.536      222.12     156.536      95.9867     156.536      
1 1 1 9  24 6  o 0 190.1  18.4  ?    ?   564.186  28.7252      376.902    28.7252      64.2177     28.7252      
1 1 1 9  24 7  o 0 252.1  21.7  ?    ?   670.731  -31.1879     426.269    -31.1879     55.8505     -31.1879     
1 1 1 9  24 8  o 0 18.1   5.2   ?    ?   169.072  -76.401      41.4324    -76.401      51.5641     103.599      
1 1 1 9  24 9  o 0 9      4.4   ?    ?   196.218  -125.466     19.0842    54.5344      122.743     54.5344      
1 1 1 9  24 10 o 0 47.5   6.1   ?    ?   412.772  109.66       106.946    109.66       110.036     -70.3401     
1 1 1 9  24 11 o 0 47.3   6.2   ?    ?   334.336  130.028      139.771    130.028      35.0305     -49.9717     
1 1 1 9  24 12 o 0 -9     7.4   ?    ?   142.647  -50.1608     50.53      129.839      124.674     129.839      
1 1 1 9  24 13 o 0 47.3   9.2   ?    ?   282.969  -161.718     162.263    -161.718     18.1396     -161.718     
1 1 1 9  24 14 o 0 5.5    8.5   ?    ?   185.694  -14.1646     16.4491    165.835      110.387     165.835      
1 1 1 9  24 15 o 0 9.7    9.1   ?    ?   105.952  51.9279      11.5138    51.9279      41.6975     -128.072     
1 1 1 9  24 16 o 0 8.4    6.4   ?    ?   81.5411  -22.4535     8.04843    -22.4535     44.7105     157.546      
1 1 1 9  24 17 o 0 12.4   6.8   ?    ?   162.554  123.92       27.7036    123.92       76.613      -56.0799     
1 1 1 9  24 18 o 0 17.4   7     ?    ?   179.142  65.7963      72.4793    65.7963      43.7812     -114.204     
1 1 1 9  24 19 o 0 69     9.6   ?    ?   436.066  112.925      188.036    112.925      92.3755     -67.0753     
1 1 1 9  24 20 o 0 165.4  17.4  ?    ?   433.799  8.30227      446.475    8.30227      169.604     8.30227      
1 1 1 9  24 21 o 0 20.5   8.4   ?    ?   125.59   -162.263     103.021    -162.263     23.678      -162.263     
1 1 1 9  24 22 o 0 16.6   8.2   ?    ?   207.171  -73.8173     59.4196    -73.8173     67.2511     106.183      
1 1 1 9  24 23 o 0 12     8.2   ?    ?   168.984  -74.5122     45.9372    -74.5122     53.4067     105.488      
1 1 1 9  24 24 f 1 10.4   7.9   ?    ?   82.8117  -78.3518     44.0061    -78.3518     3.98195     101.648      
1 1 1 9  24 25 o 0 18.4   7.3   ?    ?   168.681  35.9362      93.7293    35.9362      1.96857     -144.064     
1 1 1 9  24 26 o 0 -1.5   7.3   ?    ?   44.5949  -65.9036     6.4576     -65.9035     17.1117     114.096      
1 1 1 9  24 27 o 0 68.8   9.7   ?    ?   358.125  28.7406      254.216    28.7406      84.6212     28.7406      
1 1 1 9  25 0  f 1 0.2    7.2   ?    ?   220.702  90           15.5744    90           101.349     -90          
1 1 1 9  25 1  o 0 21.3   6     ?    ?   73.9293  163.321      50.1383    163.321      10.8733     163.321      
1 1 1 9  25 2  o 0 182.7  16.2  ?    ?   851.962  91.9398      226.934    91.9398      225.258     -88.0602     
1 1 1 9  25 3  f 1 78.3   11.2  ?    ?   224.497  -63.7357     282.33     -63.7357     163.628     -63.7357     
1 1 1 9  25 4  o 0 5.3    5.7   ?    ?   140.658  149.103      25.3411    -30.8973     99.7712     -30.8973     
1 1 1 9  25 5  o 0 11.1   5.9   ?    ?   162.243  -127.024     2.56106    -127.024     83.0911     52.9761      
1 1 1 9  25 6  o 0 60.9   8.3   ?    ?   558.9    149.973      82.9411    149.973      211.273     -30.0268     
1 1 1 9  25 7  o 0 200.4  18.6  ?    ?   510.739  -98.8078     424.454    -98.8078     156.498     -98.8078     
1 1 1 9  25 8  o 0 20.5   5.7   ?    ?   188.446  -4.17108     61.8824    -4.17108     36.603      175.829      
1 1 1 9  25 9  o 0 4.4    4.6   ?    ?   126.288  -125.307     24.4862    54.6927      89.2878     54.6927      
1 1 1 9  25 10 o 0 165.8  13.4  ?    ?   490.144  38.843       373.728    38.843       123.438     38.843       
1 1 1 9  25 11 f 1 56.5   7     ?    ?   442.338  63.8584      128.213    63.8584      95.8885     -116.142     
1 1 1 9  25 12 o 0 27.9   12.1  ?    ?   287.971  -28.228      65.671     -28.228      86.4689     151.772      
1 1 1 9  25 13 o 0 12.2   9     ?    ?   76.0514  -135.65      23.928     -135.65      15.9999     44.3502      
1 1 1 9  25 14 f 1 43.7   7.8   ?    ?   212.436  -21.5154     212.023    -21.5154     74.8958     -21.5154     
1 1 1 9  25 15 o 0 293.6  24.8  ?    ?   640.236  -95.5956     582.666    -95.5956     163.035     -95.5956     
1 1 1 9  25 16 o 0 38.3   7.7   ?    ?   335.684  126.816      123.845    126.816      94.4814     -53.1839     
1 1 1 9  25 17 o 0 8.7    6.6   ?    ?   123.218  17.6027      18.1566    17.6027      61.3281     -162.397     
1 1 1 9  25 18 o 0 9.8    8.1   ?    ?   95.4439  68.1237      34.4155    68.1237      26.7534     -111.876     
1 1 1 9  25 19 o 0 5.8    6.9   ?    ?   37.1444  -153.34      10.1611    -153.34      12.9133     26.6598      
1 1 1 9  25 20 o 0 92.4   12.6  ?    ?   432.658  -43.7233     263.563    -43.7233     2.60713     136.277      
1 1 1 9  25 21 o 0 16.3   7.7   ?    ?   164.715  -88.7492     77.1255    -88.7492     20.4051     91.2508      
1 1 1 9  25 22 o 0 4.2    8.2   ?    ?   116.817  -36.1738     15.624     -36.1738     52.8032     143.826      
1 1 1 9  25 23 o 0 22.6   7.5   ?    ?   165.271  -86.7418     123.961    -86.7418     29.3243     -86.7418     
1 1 1 9  25 24 o 0 1.5    7     ?    ?   9.02664  -129.621     2.79456    -129.621     2.02579     50.3794      
1 1 1 9  25 25 o 0 36     8.2   ?    ?   196.795  114.354      188.176    114.354      84.3843     114.354      
1 1 1 9  25 26 o 0 24.3   7.9   ?    ?   183.839  -31.7009     138.295    -31.7009     51.3728     -31.7009     
1 1 1 9  26 0  o 0 7.4    10.7  ?    ?   47.2803  -90          8.92148    -90          15.4057     90           
1 1 1 9  26 1  o 0 145.2  18.8  ?    ?   779.71   -31.8822     187.835    -31.8822     213.427     148.118      
1 1 1 9  26 2  o 0 9.2    6.9   ?    ?   232.786  -55.3236     16.249     124.676      135.998     124.676      
1 1 1 9  26 3  o 0 43.1   7     ?    ?   113.71   90.3035      172.363    90.3035      113.927     90.3035      
1 1 1 9  26 4  o 0 5      6.6   ?    ?   179.691  66.2969      26.022     -113.703     118.22      -113.703     
1 1 1 9  26 5  o 0 1.4    6.3   ?    ?   136.444  75.5622      30.2926    -104.438     100.152     -104.438     
1 1 1 9  26 6  o 0 65.3   8.3   ?    ?   297.798  157.354      218.852    157.354      66.7861     157.354      
1 1 1 9  26 7  o 0 105    12.8  ?    ?   449.285  -91.2643     258.098    -91.2643     29.4101     -91.2643     
1 1 1 9  26 8  o 0 15.5   5.6   ?    ?   242.797  94.3269      24.5665    94.3269      104.245     -85.6731     
1 1 1 9  26 9  o 0 15.7   5.3   ?    ?   28.081   61.1903      17.606     61.1903      2.77101     61.1903      
1 1 1 9  26 10 o 0 33.5   6.4   ?    ?   230.104  72.8046      156.282    72.8046      6.13242     72.8046      
1 1 1 9  26 11 o 0 123.7  11.6  ?    ?   389.97   -40.218      394.805    -40.218      141.663     -40.218      
1 1 1 9  26 12 o 0 87.9   10.3  ?    ?   440.814  -110.425     254.674    -110.425     35.5663     69.5753      
1 1 1 9  26 13 o 0 -0.1   6.9   ?    ?   38.9472  131.947      5.72912    -48.0526     31.214      -48.0526     
1 1 1 9  26 14 o 0 0      6.4   ?    ?   129.902  165.244      29.4372    -14.7563     113.87      -14.7563     
1 1 1 9  26 15 o 0 26.7   7     ?    ?   139.941  -83.2328     154.242    -83.2328     63.7385     -83.2328     
1 1 1 9  26 16 o 0 -0.6   6.4   ?    ?   89.3165  -171.85      16.5731    8.14975      73.8938     8.14975      
1 1 1 9  26 17 o 0 5.3    6.3   ?    ?   39.0004  151.839      7.63222    151.839      16.6531     -28.161      
1 1 1 9  26 18 o 0 20.8   7     ?    ?   21.2351  124.902      40.9964    124.902      27.8881     124.902      
1 1 1 9  26 19 o 0 143.1  14.8  ?    ?   377.16   -169.433     431.551    -169.433     207.236     -169.433     
1 1 1 9  26 20 o 0 20.2   8.2   ?    ?   178.785  178.513      97.0249    178.513      8.27519     -1.48664     
1 1 1 9  26 21 o 0 12.7   8.4   ?    ?   119.731  -25.3606     68.0452    -25.3606     0.962421    154.639      
1 1 1 9  26 22 o 0 10     7.2   ?    ?   91.6079  70.3561      59.7829    70.3561      10.4912     70.3561      
1 1 1 9  26 23 o 0 -3     7.1   ?    ?   20.0274  -75.8773     1.75004    -75.8773     8.90435     104.123      
1 1 1 9  26 24 o 0 19.3   7.7   ?    ?   236.169  -164.865     87.8314    -164.865     24.9263     15.1353      
1 1 1 9  27 0  o 0 12     9.3   ?    ?   62.5335  -90          22.8873    -90          18.1163     90           
1 1 1 9  27 1  o 0 21.2   9.6   ?    ?   113.816  179.964      90.2779    179.964      15.616      179.964      
1 1 1 9  27 2  o 0 417.6  37.2  ?    ?   662.053  -90.1718     775.58     -90.1718     341.358     -90.1718     
1 1 1 9  27 3  o 0 0.6    5.4   ?    ?   155.454  61.3654      51.1041    -118.635     152.983     -118.635     
1 1 1 9  27 4  o 0 4.7    5.7   ?    ?   85.4126  -27.803      10.992     152.197      66.8918     152.197      
1 1 1 9  27 5  o 0 30.7   6.5   ?    ?   264.118  47.9806      124.802    47.9806      47.7207     -132.019     
1 1 1 9  27 6  o 0 117.1  11.8  ?    ?   268.321  78.7719      444.724    78.7719      269.891     78.7719      
1 1 1 9  27 7  o 0 77.3   13.6  ?    ?   267.346  129.066      317.429    129.066      140.263     129.066      
1 1 1 9  27 8  o 0 0.3    11    ?    ?   142.201  -158.053     1.48216    21.9473      95.3813     21.9473      
1 1 1 9  27 9  o 0 7.8    5.6   ?    ?   183.848  37.9886      5.8478     -142.011     126.752     -142.011     
1 1 1 9  27 10 o 0 28.4   6.4   ?    ?   167.814  -157.985     156.275    -157.985     46.4219     -157.985     
1 1 1 9  27 11 o 0 18     4.6   ?    ?   170.247  -4.70802     93.9175    -4.70802     17.2022     175.292      
1 1 1 9  27 12 o 0 8.4    6.8   ?    ?   187.162  -47.3339     4.4852     -47.3339     116.989     132.666      
1 1 1 9  27 13 o 0 6.8    6.9   ?    ?   109.2    116.182      13.8595    116.182      56.5817     -63.8182     
1 1 1 9  27 14 o 0 109.9  13.6  ?    ?   347.268  -179.879     367.932    -179.879     150.243     -179.879     
1 1 1 9  27 15 o 0 30.2   7.5   ?    ?   192.429  115.924      160.171    115.924      40.404      115.924      
1 1 1 9  27 16 o 0 121    13.3  ?    ?   465.848  -4.58255     332.655    -4.58255     52.8693     -4.58255     
1 1 1 9  27 17 o 0 6      7     ?    ?   59.6518  115.163      17.9242    115.163      17.6103     -64.8374     
1 1 1 9  27 18 o 0 29.4   7.6   ?    ?   239.618  -13.5529     137.974    -13.5529     1.92758     166.447      
1 1 1 9  27 19 o 0 37.8   9.4   ?    ?   220.06   162.588      183.047    162.588      55.7443     162.588      
1 1 1 9  27 21 o 0 13.7   10.4  ?    ?   186.352  113.386      59.2492    113.386      40.4682     -66.6144     
1 1 1 9  27 22 o 0 9.7    7.4   ?    ?   176.114  158.003      51.9488    158.003      32.7189     -21.9968     
1 1 1 9  28 0  o 0 -10.1  9.8   ?    ?   39.8114  -90          4.16378    -90          21.9542     90           
1 1 1 9  28 1  f 1 11.4   8.8   ?    ?   202.187  145.256      21.3109    145.256      111.079     -34.7436     
1 1 1 9  28 2  o 0 -2.1   6.5   ?    ?   124.771  5.055        34.322     -174.945     116.235     -174.945     
1 1 1 9  28 3  o 0 87.8   11.5  ?    ?   332.94   143.907      316.344    143.907      97.8904     143.907      
1 1 1 9  28 4  o 0 1.8    6.4   ?    ?   90.0646  -140.48      12.5423    39.5201      71.5684     39.5201      
1 1 1 9  28 5  o 0 -9.1   5.4   ?    ?   168.664  75.3139      76.3866    -104.686     186.975     -104.686     
1 1 1 9  28 6  o 0 15.8   5.6   ?    ?   123.936  60.9738      80.4846    60.9738      0.590178    -119.026     
1 1 1 9  28 7  o 0 100.7  10.8  ?    ?   291.795  -54.607      379.78     -54.607      189.444     -54.607      
1 1 1 9  28 8  o 0 37     9.4   ?    ?   203.852  -126.278     184.723    -126.278     52.205      -126.278     
1 1 1 9  28 9  o 0 -0.5   5.7   ?    ?   34.8731  -63.0723     7.2807     116.928      29.8613     116.928      
1 1 1 9  28 10 o 0 62.1   9.5   ?    ?   290.147  -75.776      253.422    -75.776      70.4555     -75.776      
1 1 1 9  28 11 o 0 125.3  12.5  ?    ?   435.179  93.0918      362.602    93.0918      89.5513     93.0918      
1 1 1 9  28 12 o 0 167    15.9  ?    ?   550.454  40.3043      388.087    40.3043      44.6145     40.3043      
1 1 1 9  28 13 o 0 12.5   7.3   ?    ?   150.774  -38.3267     56.15      -38.3267     34.781      141.673      
1 1 1 9  28 14 o 0 28.4   7.4   ?    ?   184.395  9.31699      155.835    9.31699      45.3577     9.31699      
1 1 1 9  28 15 o 0 71.2   10    ?    ?   387.168  -78.0125     229.189    -78.0125     1.13542     101.987      
1 1 1 9  28 16 o 0 4.1    7.7   ?    ?   88.2743  113.334      21.7501    113.334      29.775      -66.6656     
1 1 1 9  28 17 o 0 13.3   7.8   ?    ?   81.5412  33.3692      67.6928    33.3692      20.4843     33.3692      
1 1 1 9  28 18 o 0 -9.3   7.6   ?    ?   25.4663  -169.425     1.26959    10.5746      15.0635     10.5746      
1 1 1 9  28 19 o 0 49.2   8.9   ?    ?   204.569  -69.2221     244.467    -69.2221     134.679     -69.2221     
1 1 1 9  28 20 o 0 -2.6   8.2   ?    ?   95.7918  80.4663      22.0667    80.4663      24.172      -99.5337     
1 1 1 9  29 0  o 0 -10.2  23.8  ?    ?   52.6891  -90          18.7369    -90          14.4744     90           
1 1 1 9  29 1  o 0 13.1   6.7   ?    ?   228.068  -16.3946     27.8934    -16.3946     115.992     163.605      
1 1 1 9  29 2  o 0 95.6   12.6  ?    ?   317.057  -145.981     347.31     -145.981     147.232     -145.981     
1 1 1 9  29 3  o 0 57     9.5   ?    ?   286.505  -173.084     234.995    -173.084     54.2612     -173.084     
1 1 1 9  29 4  o 0 11.1   6.3   ?    ?   130.635  61.6274      46.4421    61.6274      35.8859     -118.373     
1 1 1 9  29 5  o 0 10.6   6.4   ?    ?   224.727  -112.83      10.177     -112.83      131.23      67.1699      
1 1 1 9  29 6  o 0 93.6   11.9  ?    ?   352.756  157.931      321.05     157.931      99.5555     157.931      
1 1 1 9  29 7  o 0 54.4   8.8   ?    ?   228.386  80.874       254.972    80.874       111.956     80.874       
1 1 1 9  29 8  o 0 15.3   11    ?    ?   219.956  -106.638     43.3331    -106.638     93.9557     73.3622      
1 1 1 9  29 9  o 0 42.5   13.1  ?    ?   213.093  176.118      191.723    176.118      62.8812     176.118      
1 1 1 9  29 10 o 0 20.1   6.1   ?    ?   189.136  -152.655     106.645    -152.655     7.21448     27.3452      
1 1 1 9  29 11 o 0 231.1  19.9  ?    ?   435.176  -26.9131     582.409    -26.9131     321.716     -26.9131     
1 1 1 9  29 12 f 1 13.5   4.2   ?    ?   176.655  128.422      71.9487    128.422      31.8438     -51.5777     
1 1 1 9  29 13 o 0 -4.4   7.9   ?    ?   47.5356  -113.373     0.069814   66.6273      27.9042     66.6273      
1 1 1 9  29 14 o 0 1.2    7.2   ?    ?   59.6661  -137.706     7.38074    -137.706     27.3298     42.2938      
1 1 1 9  29 15 o 0 111    12.6  ?    ?   349.483  -85.3782     374.661    -85.3782     184.136     -85.3782     
1 1 1 9  29 16 o 0 52.8   8.6   ?    ?   214.894  -56.5771     258.182    -56.5771     141.915     -56.5771     
1 1 1 9  29 17 o 0 -18    8.2   ?    ?   64.9492  -129.335     1.97101    50.6653      33.6287     50.6653      
1 1 1 9  29 18 o 0 2.2    8.5   ?    ?   74.0954  75.1977      38.4666    75.1977      2.66232     75.1977      
1 1 1 9  30 1  o 0 1.7    9.6   ?    ?   131.059  36.841       11.5179    36.841       67.2296     -143.159     
1 1 1 9  30 2  o 0 52.4   8.7   ?    ?   244.599  -142.831     240.283    -142.831     93.2462     -142.831     
1 1 1 9  30 3  o 0 11.7   6.4   ?    ?   153.761  -113.371     49.8244    -113.371     42.5918     66.629       
1 1 1 9  30 4  o 0 6.7    6.4   ?    ?   124.346  113.282      19.9605    113.282      54.7187     -66.7178     
1 1 1 9  30 5  o 0 21.4   7.1   ?    ?   140.39   172.59       123.237    172.59       39.038      172.59       
1 1 1 9  30 6  o 0 48.9   8.8   ?    ?   326.266  82.3851      185.328    82.3851      7.75736     -97.6149     
1 1 1 9  30 7  f 1 41.6   8.5   ?    ?   358.958  69.4105      135.596    69.4105      75.7525     -110.59      
1 1 1 9  30 8  o 0 2.6    7     ?    ?   97.7898  -40.0517     11.474     -40.0517     46.072      139.948      
1 1 1 9  30 10 o 0 1.6    4.9   ?    ?   120.4    116.174      11.7467    -63.8259     82.0397     -63.8259     
1 1 1 9  30 11 f 1 69.3   9.1   ?    ?   334.863  82.41        265.701    82.41        82.5521     82.41        
1 1 1 9  30 12 o 0 8.1    3.9   ?    ?   102.565  -114.717     45.0344    -114.717     10.9069     65.2835      
1 1 1 9  30 13 o 0 -1.3   6.9   ?    ?   77.9273  135.805      19.3421    135.805      19.0344     -44.1946     
1 1 1 9  30 14 o 0 21.2   7.1   ?    ?   272.671  87.5859      90.3025    87.586       43.1172     -92.414      
1 1 1 9  30 15 o 0 57     10.9  ?    ?   271.268  -119.416     251.775    -119.416     119.965     -119.416     
1 1 1 9  31 0  o 0 6.9    9.3   ?    ?   9.35267  -90          4.04114    -90          1.08362     90           
1 1 1 9  31 1  o 0 31     10.2  ?    ?   219.989  14.05        148.454    14.05        27.7548     14.05        
1 1 1 9  31 2  o 0 82.6   11.2  ?    ?   387.419  132.011      277.915    132.011      65.2117     132.011      
1 1 1 9  31 3  o 0 5.7    6.4   ?    ?   139.465  -138.308     26.6019    -138.308     49.9708     41.6922      
1 1 1 9  31 4  o 0 -3.7   6.3   ?    ?   64.7617  30.2151      2.20203    -149.785     37.7384     -149.785     
1 1 1 9  31 5  o 0 11.6   6.7   ?    ?   74.4772  53.1076      66.861     53.1076      26.0423     53.1076      
1 1 1 9  31 6  o 0 10.6   6.4   ?    ?   107.959  -78.6033     62.9389    -78.6033     3.87551     -78.6033     
1 1 1 9  31 7  o 0 3.8    6.3   ?    ?   18.5465  67.4571      7.16515    67.4571      2.95726     -112.543     
1 1 1 9  31 8  o 0 48.2   10.5  ?    ?   341.97   49.3943      191.09     49.3943      22.0763     49.3943      
1 1 1 9  31 9  o 0 4.2    11.8  ?    ?   96.7078  -72.2532     61.3689    -72.2532     13.7415     -72.2532     
1 1 1 9  31 10 o 0 57.6   9.6   ?    ?   459.234  1.06868      173.967    1.06868      51.2723     -178.931     
1 1 1 9  31 11 o 0 7.8    5.4   ?    ?   45.6541  60.4029      43.6894    60.4029      21.402      60.4029      
1 1 1 9  32 0  o 0 4.3    9.9   ?    ?   59.9845  -90          24.6173    -90          4.5687      90           
1 1 1 9  32 1  o 0 24.4   10    ?    ?   258.151  11.6537      99.9557    11.6537      25.8387     -168.346     
1 1 1 9  32 2  o 0 35.5   11.2  ?    ?   241.474  -86.9103     161.931    -86.9103     44.1626     -86.9103     
1 1 1 9  32 3  o 0 15.4   6.7   ?    ?   143.148  163.26       103.397    163.26       33.5665     163.26       
1 1 1 9  32 4  o 0 8      6.6   ?    ?   53.1266  39.9884      50.6485    39.9884      24.7429     39.9884      
1 1 1 10 0  0  o 0 121.3  16    ?    ?   753.486  -3.25284e-14 362.252    0            209.793     180          
1 1 1 10 0  1  o 0 50.3   4.8   ?    ?   231.671  90           185.059    90           10.8652     90           
1 1 1 10 0  2  o 0 29.4   3.4   ?    ?   259.604  -180         128.191    180          65.0672     1.7212e-14   
1 1 1 10 0  3  o 0 362.8  33.3  ?    ?   711.675  90           615.337    90           90.7871     90           
1 1 1 10 0  4  o 0 70.3   7     ?    ?   136.682  180          170.118    180          70.3437     180          
1 1 1 10 0  5  o 0 4.2    1.6   ?    ?   76.1586  90           5.6176     90           49.4686     -90          
1 1 1 10 0  6  o 0 151.7  14.2  ?    ?   699.986  0            387.724    0            114.248     180          
1 1 1 10 0  7  o 0 3.8    1.8   ?    ?   250.13   90           14.5947    90           163.349     -90          
1 1 1 10 0  8  o 0 1018.5 93.2  ?    ?   1174.43  0            1053.45    0            181.1       0            
1 1 1 10 0  9  o 0 14.8   2.6   ?    ?   247.787  -90          72.5342    -90          110.246     90           
1 1 1 10 0  10 o 0 5.8    2.9   ?    ?   230.326  180          22.1259    180          146.664     1.05855e-15  
1 1 1 10 0  11 f 1 2      3.1   ?    ?   179.666  -90          6.56372    -90          123.938     90           
1 1 1 10 0  12 o 0 4.6    3.6   ?    ?   59.2494  180          4.13935    180          38.7427     7.49681e-16  
1 1 1 10 0  13 o 0 729.1  77.7  ?    ?   1355.13  -90          863.863    -90          110.911     90           
1 1 1 10 0  14 o 0 266    25    ?    ?   561.873  0            494.431    0            114.926     0            
1 1 1 10 0  15 o 0 32.6   5.6   ?    ?   303.014  90           143.313    90           60.9822     -90          
1 1 1 10 0  16 o 0 440.9  47.2  ?    ?   1180.27  -2.01162e-15 626.084    0            164.334     180          
1 1 1 10 0  18 o 0 202.2  22.4  ?    ?   853.888  -180         419.087    180          144.465     4.58151e-14  
1 1 1 10 0  19 o 0 108.3  11.9  ?    ?   352.263  -90          300.99     -90          67.9005     -90          
1 1 1 10 0  20 o 0 518    48.2  ?    ?   967.698  -180         611.97     180          23.2185     180          
1 1 1 10 0  21 o 0 161.9  16.8  ?    ?   591.739  -90          339.351    -90          17.4064     90           
1 1 1 10 0  22 o 0 1670.3 153.1 ?    ?   1844.85  -1.37284e-16 1070.45    0            34.4503     180          
1 1 1 10 0  23 o 0 36.6   10.9  ?    ?   281.201  90           123.979    90           42.7069     -90          
1 1 1 10 0  24 o 0 215.2  26.4  ?    ?   729.69   -5.48886e-16 377.846    0            49.0474     180          
1 1 1 10 0  25 o 0 230.3  29    ?    ?   986.202  90           386.143    90           184.149     -90          
1 1 1 10 0  26 o 0 84.5   14.2  ?    ?   799.066  180          230.078    180          231.61      6.9703e-15   
1 1 1 10 0  27 o 0 20.5   13.2  ?    ?   163.486  90           44.9349    90           54.1985     -90          
1 1 1 10 0  28 f 1 118.4  18.1  ?    ?   368.713  180          281.691    180          59.4498     180          
1 1 1 10 0  29 o 0 -16.6  11.2  ?    ?   404.617  -90          16.5693    -90          219.596     90           
1 1 1 10 0  30 o 0 361.8  42.1  ?    ?   719.975  0            478.256    0            64.3259     0            
1 1 1 10 0  31 o 0 68     15.7  ?    ?   377.851  -90          200.181    -90          2.22282     90           
1 1 1 10 0  32 o 0 37     13.7  ?    ?   19.728   0            17.8615    0            7.8334      0            
1 1 1 10 0  33 o 0 53.7   15    ?    ?   114.756  -90          133.763    -90          77.2239     -90          
1 1 1 10 0  34 o 0 4.1    12    ?    ?   54.8352  -8.53334e-15 8.32655    0            18.2083     180          
1 1 1 10 0  35 o 0 257.1  32.9  ?    ?   596.983  90           452.893    90           84.7861     90           
1 1 1 10 0  36 o 0 72     15.3  ?    ?   380.821  -180         232.583    180          2.35081     7.98739e-13  
1 1 1 10 0  37 o 0 52.1   10.9  ?    ?   253.486  90           194.55     90           40.9563     90           
1 1 1 10 0  38 o 0 38.4   10.6  ?    ?   302.845  -6.97343e-16 158.79     0            17.0124     180          
1 1 1 10 0  39 o 0 54.3   11.7  ?    ?   180.204  90           188.363    90           89.943      90           
1 1 1 10 0  40 o 0 40     13.5  ?    ?   149.986  180          144.052    180          68.4513     180          
1 1 1 10 0  41 o 0 18.9   13.2  ?    ?   31.9723  90           32.1668    90           17.8636     90           
1 1 1 10 1  0  o 0 88.8   9.7   ?    ?   168.436  180          240.674    180          114.118     -180         
1 1 1 10 1  2  o 0 63.1   4.2   ?    ?   178.603  -36.1429     215.388    -36.1429     83.8611     -36.1429     
1 1 1 10 1  3  o 0 205.9  13.4  ?    ?   472.733  45.0973      523.052    45.0973      178.386     45.0973      
1 1 1 10 1  4  o 0 1091.6 70.5  ?    ?   1310.88  16.4918      1117.81    16.4918      171.186     16.4918      
1 1 1 10 1  5  o 0 1573.2 101.4 ?    ?   1382.29  -105.655     1457.88    -105.655     468.671     -105.655     
1 1 1 10 1  6  o 0 65.6   4.5   ?    ?   336.504  128.251      189.098    128.251      49.7046     -51.7494     
1 1 1 10 1  8  o 0 273.4  19.1  ?    ?   649.999  129.343      578.492    129.343      100.42      129.343      
1 1 1 10 1  9  f 1 507.3  35.3  ?    ?   1137.45  -58.2681     624.466    -58.2681     204.497     121.732      
1 1 1 10 1  10 o 0 150.1  11.6  ?    ?   426.161  -104         434.081    -104         124.619     -104         
1 1 1 10 1  11 o 0 16.9   2.6   ?    ?   352.43   -51.7384     67.2703    128.262      321.683     128.262      
1 1 1 10 1  12 o 0 29.4   3.6   ?    ?   163.707  -49.8365     65.751     -49.8365     51.7464     130.164      
1 1 1 10 1  13 o 0 1366.5 125.4 ?    ?   1113.69  118.622      1496.21    118.622      701.469     118.622      
1 1 1 10 1  14 o 0 37.5   4.2   ?    ?   439.421  -92.9014     21.0822    -92.9014     273.474     87.0986      
1 1 1 10 1  15 o 0 45.9   4.7   ?    ?   208.839  -123.632     145.418    -123.632     5.62653     -123.632     
1 1 1 10 1  16 f 1 79.4   7     ?    ?   684.575  -179.903     46.299     -179.903     407.865     0.0971428    
1 1 1 10 1  17 o 0 407.8  31    ?    ?   545.892  63.1937      795.084    63.1937      434.426     63.1937      
1 1 1 10 1  18 o 0 344.9  24.5  ?    ?   931.387  -20.5228     459.013    -20.5228     151.938     159.477      
1 1 1 10 1  19 o 0 54.5   5.8   ?    ?   494.825  -64.844      61.3938    -64.844      264.14      115.156      
1 1 1 10 1  20 o 0 138.5  10.3  ?    ?   770.12   -59.8698     141.424    -59.8698     324.572     120.13       
1 1 1 10 1  21 o 0 721.3  47.2  ?    ?   1265.18  -54.4587     652.679    -54.4587     106.187     125.541      
1 1 1 10 1  22 o 0 466.3  31    ?    ?   891.192  118.638      585.624    118.638      54.4572     118.638      
1 1 1 10 1  23 o 0 91.4   9.4   ?    ?   653.702  108.559      84.5981    108.559      301.133     -71.4411     
1 1 1 10 1  24 o 0 32.4   7.7   ?    ?   238.014  21.5901      65.5429    21.5901      73.1095     -158.41      
1 1 1 10 1  25 o 0 26.3   9.9   ?    ?   177.902  108.337      37.0221    108.337      65.442      -71.6629     
1 1 1 10 1  26 o 0 288.9  22.5  ?    ?   529.979  -93.0232     521.023    -93.0232     215.956     -93.0232     
1 1 1 10 1  27 o 0 49.3   8     ?    ?   265.167  23.0751      140.304    23.0751      19.9238     -156.925     
1 1 1 10 1  28 o 0 82.9   9.9   ?    ?   476.884  13.8523      156.166    13.8523      131.075     -166.148     
1 1 1 10 1  29 o 0 279.3  26.1  ?    ?   557.595  -27.7366     508.454    -27.7366     183.988     -27.7366     
1 1 1 10 1  30 o 0 410.9  40.2  ?    ?   802.292  176.79       540.448    176.79       80.4927     176.79       
1 1 1 10 1  31 o 0 277.1  27.1  ?    ?   628.762  134.417      470.062    134.417      134.133     134.417      
1 1 1 10 1  32 o 0 67.3   8.8   ?    ?   269.201  175.72       225.168    175.72       88.6575     175.72       
1 1 1 10 1  33 o 0 82.8   9.4   ?    ?   397.819  130.955      219.061    130.955      23.4948     130.955      
1 1 1 10 1  34 o 0 109.7  11.4  ?    ?   522.348  -71.1318     215.445    -71.1318     48.4554     108.868      
1 1 1 10 1  35 f 1 108.4  13.2  ?    ?   344.751  -35.7312     355.4      -35.7312     143.76      -35.7312     
1 1 1 10 1  36 o 0 34.9   8.4   ?    ?   198.066  12.87        167.14     12.87        45.1548     12.87        
1 1 1 10 1  37 o 0 0.5    6.8   ?    ?   101.625  5.54975      13.0701    -174.45      74.5551     -174.45      
1 1 1 10 1  38 o 0 16.9   7.2   ?    ?   180.502  50.4018      74.2659    50.4018      27.4877     -129.598     
1 1 1 10 1  39 o 0 13.7   7.8   ?    ?   203.944  124.928      45.6926    124.928      65.5619     -55.0718     
1 1 1 10 1  40 o 0 105    12.8  ?    ?   301.086  -8.32952     352.645    -8.32952     201.039     -8.32952     
1 1 1 10 1  41 o 0 11.7   8     ?    ?   140.945  -72.6689     69.5523    -72.6689     6.55496     -72.6689     
1 1 1 10 2  1  o 0 129.3  8.5   ?    ?   501.517  -168.977     317.017    -168.977     52.0584     11.0228      
1 1 1 10 2  2  o 0 37.5   2.8   ?    ?   344.539  72.2224      60.0356    72.2224      190.97      -107.778     
1 1 1 10 2  3  f 1 179    11.7  ?    ?   336.687  -86.4285     531.614    -86.4285     289.365     -86.4285     
1 1 1 10 2  4  o 0 332.2  21.6  ?    ?   730.206  -96.5385     590.166    -96.5385     68.3619     -96.5385     
1 1 1 10 2  5  o 0 1617.9 104.3 ?    ?   1549.36  163.254      1358.67    163.254      261.203     163.254      
1 1 1 10 2  7  o 0 47.5   3.6   ?    ?   516.396  -170.684     14.7918    -170.684     345.348     9.31576      
1 1 1 10 2  8  o 0 397.1  25.9  ?    ?   562.253  -83.4794     852.078    -83.4794     442.404     -83.4794     
1 1 1 10 2  9  o 0 748.1  48.5  ?    ?   954.563  -27.8317     1054.5     -27.8317     363.328     -27.8317     
1 1 1 10 2  10 f 1 476.5  35.8  ?    ?   1063.45  93.1872      621.402    93.1872      142.146     -86.8128     
1 1 1 10 2  11 o 0 19.6   2.7   ?    ?   122.482  32.1785      12.8246    32.1785      74.8525     -147.821     
1 1 1 10 2  12 f 1 222.5  21    ?    ?   548.923  37.4458      520.701    37.4458      130.902     37.4458      
1 1 1 10 2  13 o 0 1034.1 95.1  ?    ?   1032.17  136.156      1258.1     136.156      527.228     136.156      
1 1 1 10 2  14 o 0 22.1   2.9   ?    ?   210.946  114.934      18.7353    114.934      121.618     -65.0659     
1 1 1 10 2  15 o 0 43.1   4.1   ?    ?   240.09   -53.6179     128.215    -53.6179     31.3527     126.382      
1 1 1 10 2  16 o 0 153.3  11.3  ?    ?   381.606  45.5296      425.036    45.5296      172.944     45.5296      
1 1 1 10 2  17 o 0 985.1  68.5  ?    ?   1346.76  -66.9475     937.73     -66.9475     53.7472     -66.9475     
1 1 1 10 2  18 o 0 719.6  50.2  ?    ?   1227.09  -165.407     747.391    -165.407     52.5231     14.5931      
1 1 1 10 2  19 o 0 232.7  17    ?    ?   551.616  122.723      486.84     122.723      126.099     122.723      
1 1 1 10 2  20 o 0 10.7   4     ?    ?   11.3612  -138.165     2.44224    41.8348      9.27792     41.8348      
1 1 1 10 2  21 o 0 191.7  15.9  ?    ?   547.601  -94.4587     371.314    -94.4587     44.6328     -94.4587     
1 1 1 10 2  22 o 0 514.4  43.1  ?    ?   971.405  -108.008     590.984    -108.008     14.9866     -108.008     
1 1 1 10 2  23 f 1 12.8   6.4   ?    ?   407.069  -158.875     111.211    21.1252      349.621     21.1252      
1 1 1 10 2  24 o 0 132.9  13.4  ?    ?   441.097  161.816      295.421    161.816      39.6607     161.816      
1 1 1 10 2  25 o 0 658.2  50.6  ?    ?   1152.71  -168.562     621.203    -168.562     39.7719     11.4376      
1 1 1 10 2  26 o 0 191.8  17.6  ?    ?   688.29   77.9174      277.286    77.9174      117.246     -102.083     
1 1 1 10 2  27 o 0 465.5  33.8  ?    ?   961.612  -25.2625     537.5      -25.2625     41.245      154.738      
1 1 1 10 2  28 o 0 67.1   10.9  ?    ?   367.611  -76.2617     162.568    -76.2617     58.0211     103.738      
1 1 1 10 2  29 o 0 154.4  17.2  ?    ?   389.212  -65.8601     375.96     -65.8601     150.283     -65.8601     
1 1 1 10 2  30 f 1 197.1  18.3  ?    ?   541.662  71.7234      375.074    71.7234      66.3795     71.7234      
1 1 1 10 2  31 o 0 216.7  19.9  ?    ?   663.93   26.4535      358.21     26.4535      4.61781     26.4535      
1 1 1 10 2  32 o 0 109.7  12.8  ?    ?   324.668  -88.5605     313.905    -88.5605     149.76      -88.5605     
1 1 1 10 2  33 o 0 20.6   7.5   ?    ?   317.161  43.884       25.1266    43.884       130.35      -136.116     
1 1 1 10 2  34 o 0 187.3  18.2  ?    ?   665.639  64.6203      293.766    64.6203      41.6409     -115.38      
1 1 1 10 2  35 o 0 64.8   10.4  ?    ?   329.468  -178.786     227.042    -178.786     24.7639     -178.786     
1 1 1 10 2  36 f 1 39     8.3   ?    ?   374.114  -69.571      98.0086    -69.571      131.278     110.429      
1 1 1 10 2  37 o 0 -4.2   8.5   ?    ?   49.8914  -145.302     2.93465    34.6979      32.4001     34.6979      
1 1 1 10 2  38 o 0 74.2   8.9   ?    ?   365.752  -121.381     240.473    -121.381     34.7013     -121.381     
1 1 1 10 2  39 o 0 137.4  14.4  ?    ?   547.546  -94.0595     301.537    -94.0595     3.39581     -94.0595     
1 1 1 10 2  40 o 0 18.5   7     ?    ?   70.4304  -171.364     103.824    -171.364     68.4209     -171.364     
1 1 1 10 2  41 o 0 19     7.2   ?    ?   146.411  -42.904      114.39     -42.904      49.0524     -42.904      
1 1 1 10 3  0  o 0 716.8  65.7  ?    ?   819.426  2.86257e-16  859.909    0            257.293     -6.70457e-16 
1 1 1 10 3  1  o 0 200.1  13    ?    ?   752.752  -46.1514     325.815    -46.1514     222.347     133.849      
1 1 1 10 3  3  o 0 75.8   5.1   ?    ?   372.08   -68.837      212.302    -68.837      53.4174     111.163      
1 1 1 10 3  4  o 0 824.9  57.1  ?    ?   1007.25  83.6384      1039.12    83.6384      326.343     83.6384      
1 1 1 10 3  5  o 0 313.1  20.4  ?    ?   528.9    59.5138      674.924    59.5138      303.822     59.5138      
1 1 1 10 3  6  o 0 69.3   4.8   ?    ?   468.742  -95.5973     131.299    -95.5973     195.029     84.4027      
1 1 1 10 3  8  o 0 385.5  25.1  ?    ?   832.173  -155.092     644.627    -155.092     43.5017     -155.092     
1 1 1 10 3  9  o 0 232.2  15.3  ?    ?   383.411  -75.3592     646.632    -75.3592     371.331     -75.3592     
1 1 1 10 3  10 o 0 28.3   3.4   ?    ?   372.379  -13.4164     4.53659    -13.4164     261.349     166.584      
1 1 1 10 3  11 o 0 18.7   2.8   ?    ?   185.628  -163.244     2.47217    -163.244     129.364     16.7561      
1 1 1 10 3  12 o 0 21.6   3.3   ?    ?   132.431  -174.592     22.4861    -174.592     71.0803     5.40782      
1 1 1 10 3  13 o 0 405.6  30.8  ?    ?   496.962  -60.7517     875.101    -60.7517     525.801     -60.7517     
1 1 1 10 3  14 o 0 99.2   8.2   ?    ?   569.806  165.846      177.17     165.846      200.995     -14.1544     
1 1 1 10 3  15 o 0 7.2    2.6   ?    ?   134.364  118.623      50.472     -61.3773     139.155     -61.3773     
1 1 1 10 3  16 o 0 84     6.5   ?    ?   401.768  -121.102     221.854    -121.102     41.783      58.8977      
1 1 1 10 3  17 o 0 39.4   4.3   ?    ?   419.142  119.709      40.3786    119.709      232.958     -60.2911     
1 1 1 10 3  18 o 0 568.8  43    ?    ?   848.208  50.262       802.68     50.262       247.355     50.262       
1 1 1 10 3  19 o 0 142.1  11.1  ?    ?   539.927  -141.996     298.245    -141.996     52.7267     38.0044      
1 1 1 10 3  20 o 0 77.8   7.9   ?    ?   424.833  98.9332      167.401    98.9332      86.7244     -81.0668     
1 1 1 10 3  21 o 0 794    59.9  ?    ?   1281.34  -125.951     700.149    -125.951     62.3057     54.0488      
1 1 1 10 3  22 o 0 109.9  10    ?    ?   423.172  -52.9321     252.232    -52.9321     2.66156     -52.9321     
1 1 1 10 3  23 o 0 271.8  21.8  ?    ?   705.946  92.9339      412.751    92.9339      0.379011    92.9339      
1 1 1 10 3  24 o 0 112.1  13.1  ?    ?   497.962  -144.182     217.625    -144.182     69.6687     35.8179      
1 1 1 10 3  25 f 1 40.2   7.9   ?    ?   226.386  126.954      99.9171    126.954      28.9417     -53.0462     
1 1 1 10 3  26 o 0 1219.7 92    ?    ?   1673.78  121.052      757.919    121.052      197.092     -58.9483     
1 1 1 10 3  27 o 0 55.5   9.9   ?    ?   165.475  177.257      171.583    177.257      72.4314     177.257      
1 1 1 10 3  28 f 1 68.8   9.2   ?    ?   306.495  -73.2827     195.522    -73.2827     12.8539     -73.2827     
1 1 1 10 3  29 o 0 142.2  14    ?    ?   412.569  151.8        338.428    151.8        100.176     151.8        
1 1 1 10 3  30 o 0 199.3  16.3  ?    ?   602.085  19.8195      345.59     19.8195      2.90853     19.8195      
1 1 1 10 3  31 o 0 37     8.2   ?    ?   339.345  -122.752     84.4826    -122.752     95.5743     57.2481      
1 1 1 10 3  32 o 0 38.8   8.5   ?    ?   189.187  -22.809      145.029    -22.809      49.719      -22.809      
1 1 1 10 3  33 o 0 25     8.6   ?    ?   202.775  -159.502     82.1103    -159.502     16.9566     20.4978      
1 1 1 10 3  34 o 0 384.4  32.1  ?    ?   752.044  -9.12442     519.626    -9.12442     141.902     -9.12442     
1 1 1 10 3  35 o 0 75.2   9.5   ?    ?   259.393  -28.7185     302.618    -28.7185     140.657     -28.7185     
1 1 1 10 3  36 o 0 4.5    8.4   ?    ?   136.795  -131.84      4.72127    -131.84      79.2725     48.1602      
1 1 1 10 3  37 o 0 20     8     ?    ?   142.206  -133.086     101.145    -133.086     17.3924     -133.086     
1 1 1 10 3  38 f 1 26.1   7.8   ?    ?   330.036  -63.801      64.9166    -63.801      119.796     116.199      
1 1 1 10 3  39 o 0 0.1    7.9   ?    ?   87.9047  179.762      7.68983    179.762      40.0552     -0.237635    
1 1 1 10 3  40 o 0 107    10.7  ?    ?   354.456  155.946      335.978    155.946      158.225     155.946      
1 1 1 10 3  41 o 0 4.7    7     ?    ?   68.8312  55.892       37.3234    55.892       6.67509     55.892       
1 1 1 10 4  0  o 0 122.9  11.5  ?    ?   356.805  180          350.296    180          90.5788     -180         
1 1 1 10 4  1  o 0 162.2  11.3  ?    ?   616.747  72.0581      323.558    72.0581      121.118     -107.942     
1 1 1 10 4  3  o 0 100.7  6.7   ?    ?   476.161  147.776      236.363    147.776      100.561     -32.2242     
1 1 1 10 4  4  o 0 203.2  13.3  ?    ?   457.041  6.60852      506.173    6.60852      185.609     6.60852      
1 1 1 10 4  5  f 1 944.5  61    ?    ?   1583.94  -39.3106     751.928    -39.3106     347.133     140.689      
1 1 1 10 4  8  o 0 344.5  24.1  ?    ?   918.749  -69.5089     510.878    -69.5089     147.638     110.491      
1 1 1 10 4  9  o 0 176.9  13.5  ?    ?   435.343  106.928      487.855    106.928      177.628     106.928      
1 1 1 10 4  10 o 0 53.2   5.1   ?    ?   276.676  132.115      173.933    132.115      22.1602     -47.8846     
1 1 1 10 4  11 o 0 20.4   3     ?    ?   175.71   -88.4553     14.1834    -88.4553     109.707     91.5447      
1 1 1 10 4  12 o 0 337.6  28    ?    ?   750.643  149.684      599.913    149.684      73.3098     149.684      
1 1 1 10 4  13 o 0 232.5  17.9  ?    ?   559.615  127.621      497.052    127.621      127.976     127.621      
1 1 1 10 4  14 o 0 6.9    2.6   ?    ?   144.673  160.523      56.2185    -19.4774     151.583     -19.4774     
1 1 1 10 4  15 o 0 10.7   2.7   ?    ?   152.661  -89.536      35.6272    90.464       135.718     90.464       
1 1 1 10 4  16 o 0 51     4.6   ?    ?   163.532  -64.958      158.613    -64.958      52.001      -64.958      
1 1 1 10 4  17 o 0 418.4  27.6  ?    ?   832.325  -167.468     624.166    -167.468     84.8183     -167.468     
1 1 1 10 4  18 o 0 381.1  27.1  ?    ?   766.088  -83.806      601.312    -83.806      102.856     -83.806      
1 1 1 10 4  19 o 0 87     8.3   ?    ?   303.392  -60.0726     265.862    -60.0726     69.8375     -60.0726     
1 1 1 10 4  20 o 0 248.6  19.5  ?    ?   715.542  -86.0295     380.009    -86.0294     45.4928     93.9706      
1 1 1 10 4  21 o 0 1015.2 70.6  ?    ?   1361.23  45.9152      840.72     45.9152      35.3636     45.9152      
1 1 1 10 4  22 o 0 1126.6 84.8  ?    ?   1256.78  127.611      976.812    127.611      239.746     127.611      
1 1 1 10 4  23 o 0 52.1   7.6   ?    ?   179.524  154.692      143.626    154.692      39.3266     154.692      
1 1 1 10 4  24 f 1 18.1   9     ?    ?   88.5293  143.763      4.1682     143.763      46.5086     -36.2371     
1 1 1 10 4  25 o 0 44.5   9.6   ?    ?   201.45   -100.255     117.798    -100.255     3.42362     -100.255     
1 1 1 10 4  26 o 0 371.9  32.3  ?    ?   971.658  -4.43374     387.691    -4.43374     163.966     175.566      
1 1 1 10 4  27 o 0 196.4  18.6  ?    ?   544.623  -164.418     375.113    -164.418     46.9897     -164.418     
1 1 1 10 4  28 o 0 -1.6   7.3   ?    ?   58.8975  134.781      23.2868    -45.2188     58.3161     -45.2188     
1 1 1 10 4  29 o 0 20.1   7.9   ?    ?   245.257  -76.8645     19.3258    -76.8645     121.67      103.135      
1 1 1 10 4  30 o 0 95.8   10.5  ?    ?   407.096  107.889      242.821    107.889      24.4476     107.889      
1 1 1 10 4  31 o 0 204.2  17.3  ?    ?   454.828  152.3        437.004    152.3        196.685     152.3        
1 1 1 10 4  32 o 0 95     12.1  ?    ?   221.808  73.3931      311.388    73.3932      200.098     73.3932      
1 1 1 10 4  33 o 0 51.1   9.4   ?    ?   444.112  -133.06      102.099    -133.06      114.026     46.94        
1 1 1 10 4  34 o 0 252.4  22.9  ?    ?   674.528  -139.691     386.918    -139.691     49.4073     -139.691     
1 1 1 10 4  35 f 1 36.8   8.1   ?    ?   420.562  -18.5883     63.0436    -18.5883     197.92      161.412      
1 1 1 10 4  36 o 0 6      7.7   ?    ?   131.181  28.023       9.16168    28.023       71.1026     -151.977     
1 1 1 10 4  37 o 0 16.4   8.5   ?    ?   138.866  100.691      76.56      100.691      4.94917     -79.3087     
1 1 1 10 4  38 o 0 -7.3   7.5   ?    ?   100.917  112.697      18.8283    -67.3033     75.2702     -67.3033     
1 1 1 10 4  39 o 0 2.1    6.6   ?    ?   116.828  -66.4737     3.75133    -66.4737     59.5048     113.526      
1 1 1 10 4  40 o 0 4.9    7.5   ?    ?   120.492  -17.0843     26.8305    -17.0843     33.4126     162.916      
1 1 1 10 5  0  o 0 164.7  17.8  ?    ?   516.333  -6.88182e-14 405.159    0            32.949      7.77407e-13  
1 1 1 10 5  1  o 0 304.6  21.2  ?    ?   780.418  2.65657      507.047    2.65657      50.4602     -177.343     
1 1 1 10 5  3  o 0 183.8  12    ?    ?   572.582  -70.9451     393.406    -70.9451     8.3776      109.055      
1 1 1 10 5  4  o 0 128.6  8.6   ?    ?   407.928  -152.209     361.036    -152.209     83.7157     -152.209     
1 1 1 10 5  5  o 0 701.9  48.7  ?    ?   1021.83  107.408      954.743    107.408      212.673     107.408      
1 1 1 10 5  7  o 0 58.6   4.2   ?    ?   395.734  30.6436      147.352    30.6436      136.064     -149.356     
1 1 1 10 5  8  o 0 74.3   5.5   ?    ?   513.254  178.702      140.72     178.702      224.616     -1.29803     
1 1 1 10 5  9  o 0 189.3  15.9  ?    ?   486.077  -162.667     483.054    -162.667     139.019     -162.667     
1 1 1 10 5  10 o 0 4.4    2.2   ?    ?   196.173  151.444      103.007    -28.5559     241.117     -28.5559     
1 1 1 10 5  11 o 0 86.6   7.7   ?    ?   332.647  154.397      280.475    154.397      47.4727     154.397      
1 1 1 10 5  12 o 0 275.5  23    ?    ?   939.088  -126.694     361.11     -126.694     293.405     53.3064      
1 1 1 10 5  13 o 0 167    12.2  ?    ?   567.659  54.1962      352.068    54.1962      21.6292     -125.804     
1 1 1 10 5  14 o 0 1052.4 73    ?    ?   1455.78  15.7723      921.977    15.7723      31.5074     -164.228     
1 1 1 10 5  15 o 0 15.9   2.8   ?    ?   202.542  -51.0269     15.9507    128.973      147.907     128.973      
1 1 1 10 5  16 o 0 121    9.4   ?    ?   523.455  37.9111      260.397    37.9111      78.7276     -142.089     
1 1 1 10 5  17 o 0 328.9  21.8  ?    ?   802.089  30.1599      505.639    30.1599      10.9038     -149.84      
1 1 1 10 5  18 f 1 399    26.4  ?    ?   647.591  -97.0011     696.574    -97.0011     278.866     -97.0011     
1 1 1 10 5  19 o 0 49.8   5.2   ?    ?   155.467  96.924       133.834    96.924       41.2434     96.924       
1 1 1 10 5  20 o 0 98.7   8.2   ?    ?   348.125  -85.7084     258.685    -85.7084     52.8968     -85.7084     
1 1 1 10 5  21 o 0 106.6  10.8  ?    ?   607.815  171.047      148.926    171.047      208.585     -8.95278     
1 1 1 10 5  22 o 0 1576.2 144.5 ?    ?   1385.77  148.973      1187.12    148.973      379.06      148.973      
1 1 1 10 5  23 o 0 139.7  14.2  ?    ?   642.77   -52.0792     205.465    -52.0792     165.07      127.921      
1 1 1 10 5  24 o 0 53.3   7.4   ?    ?   427.194  64.5306      82.4046    64.5306      161.414     -115.469     
1 1 1 10 5  25 f 1 52.8   8.4   ?    ?   550.517  -27.3771     20.2408    -27.3771     293.409     152.623      
1 1 1 10 5  26 o 0 583.6  45.4  ?    ?   928.073  -125.457     687.988    -125.457     130.726     -125.457     
1 1 1 10 5  27 o 0 86.2   12    ?    ?   585.478  114.146      105.11     114.146      245.809     -65.8539     
1 1 1 10 5  28 o 0 20.8   7.5   ?    ?   219.396  133.155      18.911     133.155      110.918     -46.8453     
1 1 1 10 5  29 o 0 130.1  11.9  ?    ?   496.188  10.7038      267.16     10.7038      16.6903     -169.296     
1 1 1 10 5  30 o 0 251.5  19.4  ?    ?   436.726  -56.6958     529.016    -56.6958     295.873     -56.6958     
1 1 1 10 5  31 o 0 211.6  17.7  ?    ?   647.532  -170.006     366.967    -170.006     38.4245     -170.006     
1 1 1 10 5  32 o 0 110.9  12.6  ?    ?   338.858  114.521      306.292    114.521      137.047     114.521      
1 1 1 10 5  33 o 0 37.7   8.2   ?    ?   219.73   -119.309     138.637    -119.309     32.1804     -119.309     
1 1 1 10 5  34 o 0 192.8  17.2  ?    ?   433.505  166.179      508.009    166.179      239.979     166.179      
1 1 1 10 5  35 o 0 111.7  12    ?    ?   402.895  117.035      328.595    117.035      78.9999     117.035      
1 1 1 10 5  36 o 0 48.8   9.1   ?    ?   182.458  47.7528      234.959    47.7528      123.776     47.7528      
1 1 1 10 5  37 o 0 31.3   8.5   ?    ?   210.867  69.0092      146.224    69.0091      22.9435     69.0091      
1 1 1 10 5  38 o 0 59.1   9.9   ?    ?   376.107  44.7217      179.533    44.7217      30.0113     -135.278     
1 1 1 10 5  39 o 0 8      7     ?    ?   191.175  -62.0587     14.1244    -62.0587     89.0004     117.941      
1 1 1 10 5  40 o 0 17     6.9   ?    ?   188.112  -101.457     78.719     -101.457     14.9918     78.5433      
1 1 1 10 6  0  o 0 28.4   3.1   ?    ?   64.002   -2.08847e-14 41.5933    0            6.49864     180          
1 1 1 10 6  1  o 0 85     5.7   ?    ?   548.264  -143.349     165.135    -143.349     243.347     36.6507      
1 1 1 10 6  3  f 1 241.1  18.2  ?    ?   782.121  19.0755      420.577    19.0755      150.916     -160.924     
1 1 1 10 6  5  o 0 1388.4 89.7  ?    ?   1503.44  -175.209     1281.54    -175.209     197.073     -175.209     
1 1 1 10 6  6  f 1 60.2   4.5   ?    ?   249.018  163.624      214.409    163.624      36.4953     163.624      
1 1 1 10 6  7  o 0 107.5  7.7   ?    ?   330.374  -177.662     355.087    -177.662     119.965     -177.662     
1 1 1 10 6  8  o 0 202.6  14.3  ?    ?   490.051  -113.03      511.629    -113.03      164.949     -113.03      
1 1 1 10 6  9  o 0 128.2  10.9  ?    ?   593.766  -21.7703     260.035    -21.7703     157.676     158.23       
1 1 1 10 6  10 o 0 130.4  11.1  ?    ?   414.752  54.0082      372.262    54.0082      82.0225     54.0082      
1 1 1 10 6  11 o 0 2.6    2.2   ?    ?   106.695  34.7763      61.5065    -145.224     135.793     -145.224     
1 1 1 10 6  12 o 0 450.5  31.5  ?    ?   1022.51  37.8842      558.229    37.8842      111.102     -142.116     
1 1 1 10 6  13 o 0 546.8  38.2  ?    ?   718.4    39.3698      868.558    39.3698      398.466     39.3698      
1 1 1 10 6  14 o 0 32.6   4.1   ?    ?   331.361  170.197      46.216     170.197      169.509     -9.80349     
1 1 1 10 6  15 o 0 82.2   6.2   ?    ?   397.486  76.4518      215.363    76.4518      42.0386     -103.548     
1 1 1 10 6  16 o 0 729    47.5  ?    ?   1290.64  125.792      708.801    125.792      122.311     -54.208      
1 1 1 10 6  17 o 0 670.5  43.8  ?    ?   1107.31  -1.65411     749.426    -1.65411     33.079      -1.65411     
1 1 1 10 6  18 o 0 608.5  39.8  ?    ?   844.931  -48.8695     838.196    -48.8695     295.079     -48.8695     
1 1 1 10 6  19 o 0 111.8  8.7   ?    ?   528.361  160.942      206.74     160.942      106.048     -19.0579     
1 1 1 10 6  20 o 0 113.4  9.9   ?    ?   396.241  97.4387      273.4      97.4387      39.8503     97.4387      
1 1 1 10 6  21 o 0 144.4  12.1  ?    ?   543.12   -102.147     269.875    -102.147     47.695      77.8527      
1 1 1 10 6  22 o 0 216.9  19.6  ?    ?   388.545  74.6764      481.168    74.6764      255.928     74.6764      
1 1 1 10 6  23 o 0 24.7   8.5   ?    ?   296.64   117.67       7.50713    117.67       162.504     -62.3298     
1 1 1 10 6  24 o 0 7.7    6.1   ?    ?   55.6517  -84.7934     15.2634    95.2066      46.8443     95.2066      
1 1 1 10 6  25 o 0 219.5  19.1  ?    ?   743.575  117.288      293.051    117.288      129.279     -62.7124     
1 1 1 10 6  26 o 0 875.4  61.9  ?    ?   1118.11  -105.65      851.787    -105.65      184.164     -105.65      
1 1 1 10 6  27 o 0 47.7   9.8   ?    ?   84.5049  124.977      112.84     124.977      62.4684     124.977      
1 1 1 10 6  28 o 0 19.6   7.8   ?    ?   115.785  40.9478      31.9627    40.9478      34.812      -139.052     
1 1 1 10 6  29 o 0 43.1   7.9   ?    ?   72.8161  0.995962     101.373    0.995962     59.9388     0.995962     
1 1 1 10 6  30 o 0 251.1  20.1  ?    ?   799.897  72.1116      344.512    72.1116      80.2778     -107.888     
1 1 1 10 6  31 o 0 15.2   8.4   ?    ?   104.578  -18.4494     26.1711    -18.4494     26.6175     161.551      
1 1 1 10 6  32 o 0 64.1   9.9   ?    ?   314.666  -150.978     198.907    -150.978     44.7033     -150.978     
1 1 1 10 6  33 o 0 31.5   7.7   ?    ?   152.307  56.3761      120.917    56.3761      47.4906     56.3761      
1 1 1 10 6  34 o 0 60     7.9   ?    ?   294.504  62.9168      231.262    62.9168      50.0539     62.9168      
1 1 1 10 6  35 o 0 82.3   11    ?    ?   252.117  -147.919     323.319    -147.919     167.871     -147.919     
1 1 1 10 6  36 o 0 -1.5   8     ?    ?   58.2124  151.193      4.87234    -28.8067     40.1806     -28.8067     
1 1 1 10 6  37 o 0 9.3    7.4   ?    ?   188.26   -57.9781     16.3755    -57.9781     93.1901     122.022      
1 1 1 10 6  38 o 0 -3.8   7.1   ?    ?   128.091  12.084       20.7825    -167.916     91.8315     -167.916     
1 1 1 10 6  39 f 1 28     8.1   ?    ?   235.101  17.6982      128.495    17.6982      9.63505     17.6982      
1 1 1 10 6  40 o 0 37.3   8.1   ?    ?   296.806  -165.533     155.799    -165.533     22.0768     -165.533     
1 1 1 10 7  0  o 0 95.6   9.2   ?    ?   769.054  180          327.307    180          245.645     -6.97624e-14 
1 1 1 10 7  2  o 0 30.8   2.6   ?    ?   73.4648  163.188      46.0117    163.188      7.85856     -16.8116     
1 1 1 10 7  3  o 0 61.1   4.2   ?    ?   208.543  -33.5739     226.048    -33.5739     74.3193     -33.5739     
1 1 1 10 7  4  o 0 70.1   5.2   ?    ?   315.259  -4.18348     235.366    -4.18348     7.718       -4.18348     
1 1 1 10 7  5  o 0 249.1  18.8  ?    ?   538.009  50.9916      587.359    50.9916      201.636     50.9916      
1 1 1 10 7  6  o 0 31.8   2.7   ?    ?   231.797  39.094       75.7574    39.094       89.314      -140.906     
1 1 1 10 7  7  o 0 53.2   4.1   ?    ?   471.774  -175.658     79.6197    -175.658     254.242     4.34247      
1 1 1 10 7  8  o 0 160    12.3  ?    ?   461.872  13.0723      425.302    13.0723      100.365     13.0723      
1 1 1 10 7  9  o 0 292.7  24.3  ?    ?   808.283  111.022      481.316    111.022      84.1873     -68.9778     
1 1 1 10 7  10 o 0 194.3  15    ?    ?   435.591  -136.346     516.82     -136.346     213.669     -136.346     
1 1 1 10 7  11 o 0 80.9   6.8   ?    ?   391.506  -43.7755     216.546    -43.7756     39.5893     136.224      
1 1 1 10 7  12 o 0 79.4   6.9   ?    ?   308.633  178.518      248.242    178.518      46.405      178.518      
1 1 1 10 7  13 f 1 852.6  59.3  ?    ?   1294.5   79.1882      837.653    79.1882      2.47247     -100.812     
1 1 1 10 7  14 o 0 69.1   5.9   ?    ?   346.533  -76.807      194.898    -76.807      29.4157     103.193      
1 1 1 10 7  15 f 1 39.6   4     ?    ?   284.015  93.218       97.6485    93.218       84.7395     -86.782      
1 1 1 10 7  16 o 0 -0.6   3.3   ?    ?   253.205  -5.80299     143.656    174.197      307.479     174.197      
1 1 1 10 7  17 o 0 841.3  58.6  ?    ?   1288.65  -28.9934     805.692    -28.9934     23.0509     151.007      
1 1 1 10 7  18 o 0 839.3  58.4  ?    ?   1207.46  21.9837      787.46     21.9837      71.9802     21.9837      
1 1 1 10 7  19 o 0 203.2  14.4  ?    ?   685.616  -101.979     313.958    -101.979     89.4992     78.0209      
1 1 1 10 7  20 o 0 107.5  9.6   ?    ?   572.5    27.0346      169.488    27.0346      165.928     -152.965     
1 1 1 10 7  21 o 0 1170.1 87.7  ?    ?   1624.55  -71.2609     788.975    -71.2609     155.224     108.739      
1 1 1 10 7  22 o 0 291.3  23.4  ?    ?   263.637  -118.971     648.435    -118.971     496.849     -118.971     
1 1 1 10 7  23 o 0 399.9  31    ?    ?   956.292  93.6085      444.781    93.6085      100.016     -86.3915     
1 1 1 10 7  24 o 0 99.4   10.5  ?    ?   503.855  -24.6282     179.156    -24.6282     108.343     155.372      
1 1 1 10 7  25 o 0 16.9   7.7   ?    ?   133.582  64.1071      2.70282    64.1071      72.7192     -115.893     
1 1 1 10 7  26 o 0 144    14.4  ?    ?   356.685  -22.9645     366.894    -22.9645     152.983     -22.9645     
1 1 1 10 7  27 o 0 86.8   11.9  ?    ?   374.031  27.4508      215.694    27.4508      5.95906     -152.549     
1 1 1 10 7  28 o 0 22.1   8.1   ?    ?   123.039  144.581      44.2191    144.581      26.3293     -35.4191     
1 1 1 10 7  29 o 0 92     9.7   ?    ?   431.457  47.3918      221.564    47.3918      9.50496     -132.608     
1 1 1 10 7  30 o 0 92.5   10.2  ?    ?   155.047  16.6095      311.173    16.6095      229.299     16.6095      
1 1 1 10 7  31 o 0 59.6   9     ?    ?   264.428  -24.9542     200.364    -24.9542     67.6309     -24.9542     
1 1 1 10 7  32 o 0 65.9   9.7   ?    ?   380.481  -110.245     176.673    -110.245     8.75944     69.7552      
1 1 1 10 7  33 o 0 16.3   7.2   ?    ?   72.1776  -73.9055     37.6987    -73.9055     1.49242     -73.9055     
1 1 1 10 7  34 f 1 24.3   7.4   ?    ?   313.881  -164.449     57.4466    -164.449     138.016     15.5508      
1 1 1 10 7  35 o 0 50     8.4   ?    ?   185.152  110.907      242.565    110.907      128.755     110.907      
1 1 1 10 7  36 o 0 34.5   7.9   ?    ?   151.639  -7.85418     187.204    -7.85418     97.6926     -7.85418     
1 1 1 10 7  37 o 0 -3.2   8     ?    ?   77.5481  -7.52556     3.94785    172.474      47.6114     172.474      
1 1 1 10 7  38 o 0 4.9    7.3   ?    ?   145.211  -99.275      14.3072    -99.275      64.9276     80.725       
1 1 1 10 7  39 o 0 6.7    7.6   ?    ?   116.23   -55.1741     37.4254    -55.1741     21.1993     124.826      
1 1 1 10 7  40 o 0 19.4   8.7   ?    ?   121.193  20.3755      116.492    20.3755      62.1535     20.3755      
1 1 1 10 8  0  o 0 29.7   3.4   ?    ?   83.9003  180          55.2198    180          6.77813     -1.88466e-12 
1 1 1 10 8  1  o 0 101.7  7.8   ?    ?   491.35   129.436      255.784    129.436      104.667     -50.5641     
1 1 1 10 8  5  o 0 179.8  13.7  ?    ?   592.735  92.4352      397.972    92.4352      24.5971     -87.5648     
1 1 1 10 8  6  f 1 72.3   6.4   ?    ?   564.373  48.3451      101.546    48.3451      297.179     -131.655     
1 1 1 10 8  8  o 0 129.8  14.2  ?    ?   465.917  68.8414      340.442    68.8414      14.3364     68.8414      
1 1 1 10 8  9  o 0 733.6  60.3  ?    ?   1041.07  -177.637     936.143    -177.637     211.484     -177.637     
1 1 1 10 8  10 o 0 99.4   8.8   ?    ?   518.768  -175.443     205.95     -175.443     133.435     4.5565       
1 1 1 10 8  11 o 0 15.4   2.9   ?    ?   67.5839  178.004      1.43304    -1.99614     45.6234     -1.99614     
1 1 1 10 8  12 o 0 92.2   7.2   ?    ?   600.4    150.511      135        150.511      255.57      -29.489      
1 1 1 10 8  13 o 0 484.5  34    ?    ?   854.877  40.9428      697.564    40.9428      144.319     40.9428      
1 1 1 10 8  14 o 0 86.2   6.6   ?    ?   315.174  -70.3187     264.056    -70.3187     61.1637     -70.3187     
1 1 1 10 8  15 o 0 49     5     ?    ?   386.68   -96.3479     97.7896    -96.3479     149.768     83.6521      
1 1 1 10 8  16 o 0 141.8  10.9  ?    ?   390.095  -17.6326     375.127    -17.6327     124.182     -17.6327     
1 1 1 10 8  17 o 0 124    9.2   ?    ?   489.943  8.85109      276.637    8.85109      36.6137     -171.149     
1 1 1 10 8  18 o 0 245.7  16.9  ?    ?   597.398  -170.449     436.251    -170.449     84.3588     -170.449     
1 1 1 10 8  19 o 0 201    14.3  ?    ?   677.334  -71.2352     311.541    -71.2352     85.866      108.765      
1 1 1 10 8  20 o 0 80.7   8.4   ?    ?   326.89   -117.702     212.348    -117.702     21.9901     -117.702     
1 1 1 10 8  21 o 0 1600.2 119.6 ?    ?   1611.87  -106.288     1073.57    -106.288     142.469     -106.288     
1 1 1 10 8  22 o 0 383.4  30    ?    ?   969.563  -65.4715     417.714    -65.4715     136.34      114.529      
1 1 1 10 8  23 o 0 94     9.2   ?    ?   524.293  145.465      156.27     145.465      140.575     -34.535      
1 1 1 10 8  24 o 0 64.6   8.2   ?    ?   380.402  45.4386      140.348    45.4386      75.3673     -134.561     
1 1 1 10 8  25 o 0 34.8   7.5   ?    ?   373.255  81.6909      36.7497    81.6909      185.93      -98.3091     
1 1 1 10 8  26 o 0 335.9  28    ?    ?   788.359  38.0245      455.382    38.0245      14.4953     -141.975     
1 1 1 10 8  27 o 0 482.3  43.7  ?    ?   948.684  -79.0875     549.699    -79.0875     2.20547     -79.0875     
1 1 1 10 8  28 o 0 73.7   10.3  ?    ?   356.992  -84.8247     191.772    -84.8247     11.6678     95.1753      
1 1 1 10 8  29 o 0 129.5  12.2  ?    ?   466.746  -166.79      292.003    -166.79      43.5582     -166.79      
1 1 1 10 8  30 o 0 447.1  33.8  ?    ?   921.369  -137.124     548.245    -137.124     81.6833     -137.124     
1 1 1 10 8  31 o 0 74.9   11.3  ?    ?   470.693  119.383      157.814    119.383      77.0397     -60.6166     
1 1 1 10 8  32 o 0 24.6   7.9   ?    ?   192.665  -13.4817     85.6329    -13.4817     7.7066      166.518      
1 1 1 10 8  33 o 0 39.3   7.6   ?    ?   144.208  -110.144     198.594    -110.144     109.349     -110.144     
1 1 1 10 8  34 o 0 11.2   7.2   ?    ?   163.087  -32.0322     28.5749    -32.0322     72.6523     147.968      
1 1 1 10 8  35 o 0 94.6   9.7   ?    ?   305.066  76.2736      332.68     76.2736      146.242     76.2736      
1 1 1 10 8  36 o 0 3.4    6.6   ?    ?   96.7892  -35.9775     2.74383    -35.9775     54.0645     144.022      
1 1 1 10 8  37 o 0 6      8.2   ?    ?   111.78   107.493      23.4416    107.493      39.142      -72.5068     
1 1 1 10 8  38 f 1 20.8   7.9   ?    ?   270.756  -168.188     60.1068    -168.188     86.4337     11.8121      
1 1 1 10 8  39 o 0 108.6  13.3  ?    ?   411.128  -132.487     305.847    -132.487     99.6178     -132.487     
1 1 1 10 9  0  o 0 334.7  35.7  ?    ?   448.487  180          599.49     180          270.703     -180         
1 1 1 10 9  1  o 0 42.5   3.7   ?    ?   191.326  -152.069     138.205    -152.068     1.12956     27.9315      
1 1 1 10 9  2  o 0 22     2.3   ?    ?   141.743  102.53       25.4714    102.53       77.0565     -77.4699     
1 1 1 10 9  3  o 0 17.8   2.3   ?    ?   358.32   -64.6186     62.4273    115.381      319.86      115.381      
1 1 1 10 9  4  o 0 128.6  10.9  ?    ?   529.314  -138.199     305.952    -138.199     71.802      41.8014      
1 1 1 10 9  5  o 0 247.1  20.5  ?    ?   797.516  -157.244     407.312    -157.244     158.179     22.7558      
1 1 1 10 9  6  o 0 11.1   2.1   ?    ?   106.658  -81.5338     24.5085    98.4662      99.6667     98.4662      
1 1 1 10 9  7  o 0 26.4   2.9   ?    ?   87.4905  -164.159     35.3243    -164.159     25.9609     15.8415      
1 1 1 10 9  8  o 0 290    24.1  ?    ?   438.403  -140.843     668.844    -140.843     380.338     -140.843     
1 1 1 10 9  9  o 0 390.1  36.3  ?    ?   732.044  9.19565      648.74     9.19565      167.411     9.19565      
1 1 1 10 9  10 o 0 252.6  21.2  ?    ?   632.694  61.541       483.971    61.541       70.1838     61.541       
1 1 1 10 9  11 o 0 53.5   5     ?    ?   206.048  -143.318     173.896    -143.318     39.8454     -143.318     
1 1 1 10 9  12 o 0 280.2  21.4  ?    ?   948.158  64.22        335.617    64.22        278.01      -115.78      
1 1 1 10 9  13 o 0 476.6  33.5  ?    ?   1140.35  -162.31      506.669    -162.31      227.44      17.6902      
1 1 1 10 9  14 o 0 67.8   6     ?    ?   598.817  133.671      55.0729    133.671      328.328     -46.3286     
1 1 1 10 9  15 o 0 14.9   3     ?    ?   207.82   -34.6304     25.6665    145.37       159.384     145.37       
1 1 1 10 9  16 o 0 217.8  14.9  ?    ?   633.755  -175.21      400.609    -175.21      4.75932     4.78999      
1 1 1 10 9  17 o 0 276.9  18.8  ?    ?   629.458  65.6134      469.765    65.6134      98.7313     65.6134      
1 1 1 10 9  18 o 0 222.3  15.5  ?    ?   667.919  -177.482     355.042    -177.482     37.2437     2.51803      
1 1 1 10 9  19 o 0 16.9   4.6   ?    ?   91.865   161.571      1.14529    161.571      52.4268     -18.4286     
1 1 1 10 9  20 o 0 51.7   6.8   ?    ?   385.582  35.1738      93.896     35.1738      129.255     -144.826     
1 1 1 10 9  21 o 0 144.9  12.9  ?    ?   536.127  164.748      271.032    164.748      36.0635     -15.2519     
1 1 1 10 9  22 o 0 227.1  17.5  ?    ?   472.469  80.9805      452.97     80.9805      184.687     80.9805      
1 1 1 10 9  23 o 0 16.8   5.7   ?    ?   200.849  -68.5363     5.35235    111.464      119.647     111.464      
1 1 1 10 9  24 o 0 27.3   6.6   ?    ?   196.78   100.832      54.8704    100.832      63.0089     -79.1683     
1 1 1 10 9  25 o 0 13.3   7.1   ?    ?   242.272  -177.736     33.2483    2.26395      178.334     2.26395      
1 1 1 10 9  26 o 0 138.7  15.5  ?    ?   422.853  -108.753     317.844    -108.753     67.4476     -108.753     
1 1 1 10 9  27 o 0 317    27.4  ?    ?   954.809  -121.567     337.775    -121.567     209.679     58.4331      
1 1 1 10 9  28 o 0 62.6   10.6  ?    ?   358.061  82.2015      169.694    82.2015      22.2037     -97.7985     
1 1 1 10 9  29 o 0 155.4  13.4  ?    ?   519.709  -108.276     317.909    -108.276     43.063      -108.276     
1 1 1 10 9  30 o 0 227.6  20    ?    ?   763.095  86.8014      333.162    86.8014      50.7575     -93.1986     
1 1 1 10 9  31 o 0 37.3   8.7   ?    ?   481.335  90.8873      35.8603    90.8873      199.449     -89.1127     
1 1 1 10 9  32 o 0 29.6   7.5   ?    ?   84.2858  18.1314      105.457    18.1314      63.011      18.1314      
1 1 1 10 9  33 o 0 14.5   6.8   ?    ?   170.096  169.232      40.5634    169.232      64.0327     -10.7683     
1 1 1 10 9  34 o 0 6.3    6.2   ?    ?   189.134  -56.6762     15.9836    123.324      132.636     123.324      
1 1 1 10 9  35 o 0 14     7.1   ?    ?   107.514  32.8411      58.0812    32.8411      7.21253     -147.159     
1 1 1 10 9  36 o 0 36.3   7.8   ?    ?   200.405  -105.555     175.503    -105.555     58.6115     -105.555     
1 1 1 10 9  37 f 1 22.2   8.4   ?    ?   215.448  112.84       89.1457    112.84       30.4275     -67.1596     
1 1 1 10 9  38 o 0 -7.7   8.6   ?    ?   126.798  134.706      5.5822     -45.2943     70.118      -45.2943     
1 1 1 10 9  39 o 0 49.4   9.5   ?    ?   316.147  -142.556     193.435    -142.556     50.2739     -142.556     
1 1 1 10 10 0  o 0 34.4   4.5   ?    ?   144.514  180          100.458    180          4.65336     -4.16265e-12 
1 1 1 10 10 1  o 0 60.8   5     ?    ?   327.223  -21.6238     192.208    -21.6238     44.3708     158.376      
1 1 1 10 10 2  o 0 20     2.3   ?    ?   232.056  148.947      1.68298    148.947      165.054     -31.0531     
1 1 1 10 10 3  o 0 27.7   2.8   ?    ?   160.436  -162.148     56.2723    -162.148     58.2831     17.852       
1 1 1 10 10 4  o 0 48.2   4.6   ?    ?   452.257  75.3727      68.375     75.3727      252.539     -104.627     
1 1 1 10 10 5  o 0 214.7  20    ?    ?   806.532  0.46209      331.543    0.46209      237.261     -179.538     
1 1 1 10 10 6  o 0 68     6.2   ?    ?   517.916  -127.993     105.838    -127.993     237.226     52.0067      
1 1 1 10 10 7  o 0 6.2    2.1   ?    ?   247.913  -77.9691     106.29     102.031      270.315     102.031      
1 1 1 10 10 8  o 0 661.9  54.4  ?    ?   943.819  -33.4661     863.947    -33.4661     243.002     -33.4661     
1 1 1 10 10 9  o 0 74.6   7.1   ?    ?   291.392  -24.2249     238.253    -24.2249     47.5939     -24.2249     
1 1 1 10 10 10 o 0 110.2  9.9   ?    ?   375.418  127.496      311.085    127.496      66.7671     127.496      
1 1 1 10 10 11 o 0 79.8   6.9   ?    ?   321.014  87.4742      242.306    87.4742      34.5071     87.4742      
1 1 1 10 10 12 o 0 256.3  21.7  ?    ?   439.462  153.605      593.618    153.605      310.668     153.605      
1 1 1 10 10 13 o 0 276.5  21.3  ?    ?   647.563  129.771      508.688    129.771      94.0137     129.771      
1 1 1 10 10 14 f 1 164.2  12.3  ?    ?   438.44   -11.2604     402.97     -11.2604     121.533     -11.2604     
1 1 1 10 10 15 o 0 1.7    3     ?    ?   136.549  53.4417      72.7727    -126.558     160.141     -126.558     
1 1 1 10 10 16 o 0 212.2  14.6  ?    ?   498.214  154.509      430.829    154.509      137.012     154.509      
1 1 1 10 10 17 o 0 251.7  17.2  ?    ?   479.844  -98.4278     504.193    -98.4278     222.162     -98.4278     
1 1 1 10 10 18 o 0 568.7  39.9  ?    ?   1287.87  -17.6758     463.368    -17.6758     288.443     162.324      
1 1 1 10 10 19 o 0 91.5   9     ?    ?   480.097  107.193      173.13     107.193      105.106     -72.807      
1 1 1 10 10 20 o 0 14.7   5.1   ?    ?   200.797  -47.1393     22.3761    132.861      137.6       132.861      
1 1 1 10 10 21 o 0 1137   85.3  ?    ?   1305.28  57.3458      927.858    57.3458      185.005     57.3458      
1 1 1 10 10 22 f 1 6.7    5.3   ?    ?   387.12   150.382      139.31     -29.6185     357.13      -29.6185     
1 1 1 10 10 23 o 0 114.4  10.2  ?    ?   443.864  -23.5336     243.084    -23.5336     7.82602     156.466      
1 1 1 10 10 24 o 0 120.3  10.9  ?    ?   450.015  -111.59      266.728    -111.59      1.04439     68.4104      
1 1 1 10 10 25 o 0 37.4   7.4   ?    ?   198.161  -43.7798     109.316    -43.7798     8.55222     136.22       
1 1 1 10 10 26 o 0 80.3   10    ?    ?   349.796  -99.6716     216.985    -99.6716     15.3976     -99.6716     
1 1 1 10 10 27 o 0 85.7   10.7  ?    ?   482.425  149.469      164.166    149.469      110.55      -30.5309     
1 1 1 10 10 28 o 0 81.4   11.8  ?    ?   340.209  107.161      231.362    107.161      50.2813     107.161      
1 1 1 10 10 29 o 0 279.4  28.2  ?    ?   646.164  -7.3093      466.901    -7.3093      139.482     -7.3093      
1 1 1 10 10 30 o 0 11.9   7.4   ?    ?   165.784  -134.207     6.77917    -134.207     76.0555     45.7927      
1 1 1 10 10 31 o 0 134.1  14.2  ?    ?   538.73   -71.1352     269.958    -71.1352     8.39792     -71.1352     
1 1 1 10 10 32 o 0 -1.5   6.9   ?    ?   95.5847  130.734      25.4839    -49.2657     84.8117     -49.2657     
1 1 1 10 10 33 o 0 26.4   7     ?    ?   187.597  105.008      129.984    105.008      13.1081     105.008      
1 1 1 10 10 34 o 0 9.3    6.6   ?    ?   98.6639  -12.0111     27.2988    -12.0111     33.2729     167.989      
1 1 1 10 10 35 o 0 88.7   10.6  ?    ?   293.788  -108.404     320.181    -108.404     146.822     -108.404     
1 1 1 10 10 36 o 0 15.1   6.7   ?    ?   95.6516  51.7536      75.2084    51.7536      21.3225     51.7536      
1 1 1 10 10 37 o 0 13.7   7.4   ?    ?   142.635  136.026      67.1358    136.026      10.8065     -43.9741     
1 1 1 10 10 38 o 0 22.4   8.1   ?    ?   184.476  -22.6362     110.585    -22.6362     17.3186     -22.6362     
1 1 1 10 10 39 o 0 67.4   15    ?    ?   403.583  -15.461      193.245    -15.461      11.6993     -15.461      
1 1 1 10 11 0  o 0 728.4  77.3  ?    ?   1171.61  -3.75722e-14 819.443    0            20.6733     1.45171e-12  
1 1 1 10 11 2  o 0 6.6    1.8   ?    ?   149.752  -122.804     60.723     57.1964      161.699     57.1964      
1 1 1 10 11 3  o 0 46.8   4     ?    ?   471.307  148.501      48.0687    148.501      269.363     -31.499      
1 1 1 10 11 4  o 0 281    21.5  ?    ?   779.316  63.882       456.156    63.882       65.6781     -116.118     
1 1 1 10 11 5  o 0 18.3   2.7   ?    ?   206.371  -98.7046     1.73144    81.2954      139.12      81.2954      
1 1 1 10 11 6  o 0 8.2    2.3   ?    ?   192.754  102.493      65.3964    -77.5075     192.987     -77.5075     
1 1 1 10 11 7  o 0 43.4   4.6   ?    ?   326.822  169.05       102.219    169.05       112.9       -10.9502     
1 1 1 10 11 8  o 0 654    53.8  ?    ?   879.991  -108.223     892.331    -108.223     316.309     -108.223     
1 1 1 10 11 9  o 0 310.8  26.1  ?    ?   1213.05  -44.3484     220.99     -44.3484     568.714     135.652      
1 1 1 10 11 10 o 0 148.2  11.9  ?    ?   717.153  -13.2714     214.117    -13.2714     250.23      166.729      
1 1 1 10 11 11 o 0 83.2   7.3   ?    ?   328.513  2.60115      249.092    2.60115      37.5354     2.60115      
1 1 1 10 11 12 o 0 58.1   5.8   ?    ?   370.692  -85.7609     138.214    -85.7609     101.727     94.2391      
1 1 1 10 11 13 o 0 544.5  41.4  ?    ?   860.19   126.362      752.909    126.362      199.232     126.362      
1 1 1 10 11 14 o 0 199.5  15.8  ?    ?   594.64   51.9748      359.195    51.9748      6.29147     51.9748      
1 1 1 10 11 15 o 0 102.3  8.3   ?    ?   518.753  33.4815      186.827    33.4815      119.204     -146.518     
1 1 1 10 11 16 o 0 11.6   3.6   ?    ?   83.0231  75.4418      14.0618    -104.558     62.8832     -104.558     
1 1 1 10 11 17 o 0 916.6  63.7  ?    ?   1208.12  -59.5454     837.155    -59.5454     131.396     -59.5454     
1 1 1 10 11 18 o 0 554.9  42.1  ?    ?   904.878  -15.3725     660.396    -15.3725     135.463     -15.3725     
1 1 1 10 11 19 o 0 8.1    4.5   ?    ?   184.703  132.785      55.5776    -47.2149     161.706     -47.2149     
1 1 1 10 11 20 o 0 27.5   5.6   ?    ?   230.095  -105.205     42.8841    -105.205     88.2871     74.7947      
1 1 1 10 11 21 o 0 203.9  15.1  ?    ?   379.953  94.9461      454.465    94.9461      239.674     94.9461      
1 1 1 10 11 22 o 0 405.8  29.8  ?    ?   660.111  -73.2008     600.21     -73.2008     226.097     -73.2008     
1 1 1 10 11 23 o 0 153.3  12.8  ?    ?   394.106  147.075      369.376    147.075      134.148     147.075      
1 1 1 10 11 24 o 0 15.1   6.5   ?    ?   106.99   -23.0138     2.63803    -23.0138     61.2315     156.986      
1 1 1 10 11 25 o 0 908.6  64    ?    ?   1396.18  129.68       692.106    129.68       132.483     -50.3204     
1 1 1 10 11 26 o 0 1180.5 82.7  ?    ?   1114.18  166.722      1060.29    166.722      422.777     166.722      
1 1 1 10 11 27 o 0 322    27.3  ?    ?   815.547  -15.5319     440.405    -15.5319     3.96218     -15.5319     
1 1 1 10 11 28 o 0 29.2   8.3   ?    ?   395.826  -122.033     24.9857    -122.033     184.173     57.9666      
1 1 1 10 11 29 o 0 69.3   13.7  ?    ?   404.218  -40.1675     171.487    -40.1675     31.8468     139.832      
1 1 1 10 11 30 o 0 268.4  25.8  ?    ?   944.556  -97.3942     305.125    -97.3942     156.885     82.6058      
1 1 1 10 11 31 o 0 14.9   6.8   ?    ?   104.613  -144.226     38.9616    -144.226     13.7863     35.774       
1 1 1 10 11 32 o 0 1.3    7     ?    ?   60.0363  73.435       10.5884    -106.565     47.5796     -106.565     
1 1 1 10 11 33 f 1 40.6   10    ?    ?   307.306  -4.59866     139.91     -4.59866     49.659      175.401      
1 1 1 10 11 34 o 0 59.5   7.8   ?    ?   213.703  5.44088      265.595    5.44088      135.356     5.44088      
1 1 1 10 11 35 o 0 89.8   9.1   ?    ?   386.882  120.343      274.018    120.343      47.3892     120.343      
1 1 1 10 11 36 o 0 14.7   6.5   ?    ?   179.559  128.908      59.8793    128.908      40.5419     -51.0924     
1 1 1 10 11 37 o 0 -2.8   6.3   ?    ?   142      -96.1791     22.9358    83.8209      99.9697     83.8209      
1 1 1 10 11 38 o 0 8.8    7.7   ?    ?   29.523   -75.3613     35.142     -75.3613     21.6832     -75.3613     
1 1 1 10 12 0  o 0 25.8   4.5   ?    ?   102.316  180          53.6187    180          15.8865     -6.73616e-13 
1 1 1 10 12 1  o 0 191.2  16    ?    ?   785.293  -139.901     279.584    -139.901     251.318     40.0989      
1 1 1 10 12 2  o 0 34.1   3.2   ?    ?   244.652  1.01609      83.7329    1.01609      80.8228     -178.984     
1 1 1 10 12 3  o 0 321    22.5  ?    ?   853.261  169.223      478.338    169.223      92.5401     -10.7773     
1 1 1 10 12 4  o 0 330.3  25.1  ?    ?   547.837  96.0115      679.571    96.0115      315.018     96.0115      
1 1 1 10 12 5  f 1 275.3  21    ?    ?   847.181  -39.4541     399.899    -39.4541     159.332     140.546      
1 1 1 10 12 6  f 1 85.7   7.1   ?    ?   543.16   -28.309      150.724    -28.309      205.862     151.691      
1 1 1 10 12 7  o 0 61.8   6     ?    ?   167.647  68.9728      202.951    68.9728      93.2078     68.9728      
1 1 1 10 12 8  o 0 18.9   3.2   ?    ?   101.245  124.589      10.1186    124.589      55.7977     -55.4107     
1 1 1 10 12 10 o 0 150.9  13.2  ?    ?   534.479  -73.4823     322.505    -73.4823     25.3668     106.518      
1 1 1 10 12 11 o 0 12     3.4   ?    ?   294.263  -19.1958     75.2164    160.804      265.691     160.804      
1 1 1 10 12 12 o 0 44.7   5.2   ?    ?   317.24   -5.29615     105.026    -5.29615     99.1771     174.704      
1 1 1 10 12 13 o 0 1318.1 91.5  ?    ?   1538.01  -108.527     974.836    -108.527     62.0061     -108.527     
1 1 1 10 12 14 f 1 241.9  17.7  ?    ?   871.9    133.564      279.926    133.564      233.185     -46.4361     
1 1 1 10 12 15 o 0 29.4   4.2   ?    ?   42.4846  161.652      20.4666    161.652      4.52253     -18.3485     
1 1 1 10 12 16 o 0 5.1    3.9   ?    ?   164.017  131.746      65.3443    -48.254      161.199     -48.254      
1 1 1 10 12 17 o 0 356    30.1  ?    ?   581.956  160.292      597.629    160.292      259.819     160.292      
1 1 1 10 12 18 o 0 321.1  27.2  ?    ?   769.14   -98.4755     446.43     -98.4755     4.10395     -98.4755     
1 1 1 10 12 19 o 0 35.3   6.2   ?    ?   90.037   -48.1557     58.4894    -48.1557     7.10074     -48.1557     
1 1 1 10 12 20 o 0 81.6   8.8   ?    ?   427.113  24.2143      169.615    24.2143      72.208      -155.786     
1 1 1 10 12 21 o 0 17.4   5.4   ?    ?   162.17   -118.499     6.50587    -118.499     85.5812     61.501       
1 1 1 10 12 22 o 0 422.7  29    ?    ?   781.258  104.537      586.633    104.537      119.219     104.537      
1 1 1 10 12 23 o 0 14.6   6.4   ?    ?   171.755  10.5817      7.41071    -169.418     110.235     -169.418     
1 1 1 10 12 24 o 0 44.8   7.6   ?    ?   190.665  57.2179      140.271    57.2179      27.2844     57.2179      
1 1 1 10 12 25 o 0 153.4  12.9  ?    ?   437.574  -70.2523     348.181    -70.2523     96.8302     -70.2523     
1 1 1 10 12 26 o 0 132.5  11.8  ?    ?   435.56   88.538       300.941    88.538       53.5931     88.538       
1 1 1 10 12 27 o 0 233.8  19.6  ?    ?   804.509  37.4923      314.157    37.4923      113.115     -142.508     
1 1 1 10 12 28 o 0 117.4  14.8  ?    ?   329.973  -94.0582     328.537    -94.0582     161.603     -94.0582     
1 1 1 10 12 29 o 0 52.4   10.2  ?    ?   285.576  127.091      172.721    127.091      32.1498     127.091      
1 1 1 10 12 30 f 1 79.2   11.8  ?    ?   417.768  13.9777      196.032    13.9777      6.21072     -166.022     
1 1 1 10 12 31 o 0 128.9  13.8  ?    ?   391.675  160.051      387.95     160.051      144.762     160.051      
1 1 1 10 12 32 f 1 32.7   7.2   ?    ?   114.871  -81.2504     177.564    -81.2504     106.108     -81.2504     
1 1 1 10 12 33 o 0 54.1   7.9   ?    ?   241.077  -88.4662     234.282    -88.4662     86.0204     -88.4662     
1 1 1 10 12 34 f 1 26.8   6.6   ?    ?   301.889  -125.298     83.4687    -125.298     94.6541     54.7021      
1 1 1 10 12 35 o 0 21.7   6.2   ?    ?   88.2048  -119.732     123.827    -119.732     73.9752     -119.732     
1 1 1 10 12 36 o 0 9.6    6.2   ?    ?   77.9122  14.6966      42.7399    14.6966      0.00519176  -165.303     
1 1 1 10 12 37 o 0 2.6    6.7   ?    ?   17.5838  35.6483      5.52518    35.6483      3.40723     -144.352     
1 1 1 10 12 38 o 0 14.3   7.1   ?    ?   268.485  153.161      41.4384    153.161      80.0084     -26.8389     
1 1 1 10 13 0  o 0 12     3.1   ?    ?   115.799  3.59939e-14  27.4858    0            50.5044     -180         
1 1 1 10 13 1  o 0 139.9  10.1  ?    ?   541.885  -25.831      308.573    -25.831      54.8339     154.169      
1 1 1 10 13 2  f 1 5.6    2.1   ?    ?   186.432  -111.337     83.1652    68.6632      207.299     68.6632      
1 1 1 10 13 3  o 0 47     4.1   ?    ?   407.534  29.9255      82.3286    29.9255      188.408     -150.074     
1 1 1 10 13 4  f 1 691.3  52    ?    ?   976.267  172.022      887.159    172.022      243.509     172.022      
1 1 1 10 13 5  o 0 85.2   7.2   ?    ?   367.864  165.484      243.011    165.484      1.10353     165.484      
1 1 1 10 13 6  f 1 20.5   3.1   ?    ?   388.892  -102.947     50.1145    77.0526      303.863     77.0526      
1 1 1 10 13 7  o 0 122.4  10.8  ?    ?   312.704  92.9516      372.835    92.9516      169.351     92.9516      
1 1 1 10 13 8  o 0 1528.4 125.1 ?    ?   1380.2   128.922      1325.14    128.922      422.287     128.922      
1 1 1 10 13 9  o 0 246.4  19.1  ?    ?   634.573  -159.727     460.791    -159.727     47.9159     -159.727     
1 1 1 10 13 10 o 0 217.7  15.7  ?    ?   502.741  -22.0052     480.903    -22.0052     155.581     -22.0052     
1 1 1 10 13 11 o 0 45.8   4.5   ?    ?   455.456  -170.917     42.4042    -170.917     229.394     9.0833       
1 1 1 10 13 12 o 0 280.5  20    ?    ?   747.434  -8.80463     413.253    -8.80463     30.2602     171.195      
1 1 1 10 13 13 o 0 157.9  14.1  ?    ?   467.552  -108.943     340.562    -108.943     63.8978     -108.943     
1 1 1 10 13 14 o 0 128.2  10.1  ?    ?   574.276  -138.438     219.086    -138.438     118.679     41.5617      
1 1 1 10 13 15 o 0 21.3   4.2   ?    ?   412.094  -86.6345     53.4964    93.3655      294.349     93.3655      
1 1 1 10 13 16 o 0 147.7  11.7  ?    ?   530.046  31.4349      281.68     31.4349      26.0714     -148.565     
1 1 1 10 13 17 o 0 429.3  40.3  ?    ?   964.711  -168.004     477.78     -168.004     77.2686     11.9964      
1 1 1 10 13 18 o 0 87.8   10    ?    ?   476.513  -135.243     164.571    -135.243     107.591     44.757       
1 1 1 10 13 19 o 0 78.6   8.7   ?    ?   367.224  20.4435      187.695    20.4435      20.4282     -159.556     
1 1 1 10 13 20 o 0 12.8   5.1   ?    ?   132.343  168.588      14.4507    -11.4122     89.7014     -11.4122     
1 1 1 10 13 21 o 0 15.6   5.6   ?    ?   415.599  -12.9046     91.6473    167.095      340.72      167.095      
1 1 1 10 13 22 o 0 60.3   8.1   ?    ?   249.35   -119.738     188.883    -119.738     39.2853     -119.738     
1 1 1 10 13 23 o 0 23.8   6.7   ?    ?   204.093  49.2754      42.9879    49.2754      78.2688     -130.725     
1 1 1 10 13 24 o 0 4.7    5.4   ?    ?   81.0344  144.26       23.414     -35.74       70.1051     -35.74       
1 1 1 10 13 25 o 0 380.9  26.5  ?    ?   909.403  15.905       448.034    15.905       70.2617     -164.095     
1 1 1 10 13 26 o 0 771    51.4  ?    ?   1023.29  20.5082      810.526    20.5082      264.806     20.5082      
1 1 1 10 13 27 o 0 265.8  28.9  ?    ?   721.846  -108.536     410.269    -108.536     43.3604     -108.536     
1 1 1 10 13 28 o 0 82.4   14    ?    ?   399.385  -18.6297     208.692    -18.6297     8.2725      -18.6297     
1 1 1 10 13 29 o 0 10.6   10.7  ?    ?   328.185  -160.4       29.6373    19.5995      189.87      19.5995      
1 1 1 10 13 30 o 0 94.1   10.1  ?    ?   428.027  62.932       222.632    62.932       7.07381     62.932       
1 1 1 10 13 31 o 0 40.1   8.4   ?    ?   161.095  146.985      209.175    146.985      107.977     146.985      
1 1 1 10 13 32 f 1 -12.9  7.1   ?    ?   65.74    93.0327      23.6554    -86.9673     64.301      -86.9673     
1 1 1 10 13 33 o 0 67.3   10    ?    ?   351.963  -160.395     218.279    -160.395     3.61481     -160.395     
1 1 1 10 13 34 o 0 100.2  9.8   ?    ?   494.759  157.616      242.77     157.616      47.4761     -22.3845     
1 1 1 10 13 35 o 0 30.5   6.6   ?    ?   184.807  -108.835     158.016    -108.835     54.434      -108.835     
1 1 1 10 13 36 o 0 -3.6   6.2   ?    ?   146.085  53.6002      18.1669    -126.4       93.1761     -126.4       
1 1 1 10 13 37 o 0 -2     6.7   ?    ?   107.686  -66.947      12.3866    -66.947      36.8844     113.053      
1 1 1 10 14 1  o 0 237.6  15.8  ?    ?   374.798  1.096        612.952    1.096        363.74      1.096        
1 1 1 10 14 2  o 0 88     6.7   ?    ?   356.868  160.917      259.115    160.917      22.799      160.917      
1 1 1 10 14 3  o 0 422.1  27.6  ?    ?   1050.93  -53.0984     494.186    -53.0984     206.036     126.902      
1 1 1 10 14 4  o 0 576.8  43.6  ?    ?   859.39   -77.1011     815.887    -77.1011     245.944     -77.1011     
1 1 1 10 14 5  o 0 907.8  74.6  ?    ?   1442.95  97.3411      787.575    97.3411      164.765     -82.6589     
1 1 1 10 14 6  o 0 111.4  10.1  ?    ?   342.281  131.914      326.409    131.914      101.628     131.914      
1 1 1 10 14 7  o 0 178    15.4  ?    ?   510.637  44.0398      398.744    44.0398      65.1078     44.0398      
1 1 1 10 14 8  o 0 229.1  19.6  ?    ?   310.911  165.268      601.918    165.268      399.833     165.268      
1 1 1 10 14 9  o 0 2116.9 146.3 ?    ?   1932.24  -63.1579     1251.02    -63.1579     92.5418     -63.1579     
1 1 1 10 14 10 o 0 408.4  26.9  ?    ?   1026.83  95.5713      438.44     95.5713      173.857     -84.4287     
1 1 1 10 14 11 o 0 49.9   4.5   ?    ?   311.084  154.944      119.492    154.944      64.9744     -25.056      
1 1 1 10 14 12 o 0 352.9  23.4  ?    ?   991.841  80.8295      377.597    80.8295      208.962     -99.1705     
1 1 1 10 14 13 o 0 1107.7 76.9  ?    ?   1135.25  -53.0229     1037.59    -53.0229     370.202     -53.0229     
1 1 1 10 14 14 o 0 294.8  21    ?    ?   802.886  -106.954     395.306    -106.954     73.7846     73.0458      
1 1 1 10 14 15 o 0 4.8    3.3   ?    ?   149.137  111.985      61.1749    -68.0151     147.749     -68.0151     
1 1 1 10 14 16 o 0 110.7  9.9   ?    ?   273.859  122.062      310.699    122.062      153.136     122.062      
1 1 1 10 14 17 o 0 99.2   10    ?    ?   606.783  141.677      128.714    141.677      217.924     -38.323      
1 1 1 10 14 18 o 0 92.7   9.9   ?    ?   336.131  32.0666      238.993    32.0666      48.4033     32.0666      
1 1 1 10 14 19 o 0 1.3    5.1   ?    ?   220.261  91.6632      92.918     -88.3368     218.254     -88.3368     
1 1 1 10 14 20 o 0 28     5.8   ?    ?   181.043  7.16842      59.6417    7.16842      48.9774     -172.832     
1 1 1 10 14 21 o 0 343.8  27.9  ?    ?   729.357  117.223      504.293    117.223      66.0779     117.223      
1 1 1 10 14 22 o 0 1087.2 76.3  ?    ?   1190.83  -109.789     959.605    -109.789     250.79      -109.789     
1 1 1 10 14 23 o 0 154.3  13    ?    ?   592.685  -109.731     270.216    -109.731     72.0668     70.2691      
1 1 1 10 14 24 o 0 7.7    5.6   ?    ?   34.3679  152.915      6.14692    -27.0851     25.7884     -27.0851     
1 1 1 10 14 25 o 0 92.8   9.3   ?    ?   236.16   -115.713     304.166    -115.713     177.809     -115.713     
1 1 1 10 14 26 o 0 74     8.3   ?    ?   279.124  24.5341      243.326    24.5341      100.91      24.5341      
1 1 1 10 14 27 o 0 149    21.1  ?    ?   598.542  -99.8782     267.415    -99.8782     34.2536     80.1218      
1 1 1 10 14 28 o 0 41.6   8.8   ?    ?   204.638  142.555      159.174    142.555      58.7686     142.555      
1 1 1 10 14 29 o 0 79.1   9.8   ?    ?   413.683  -32.034      192.111    -32.034      17.3771     147.966      
1 1 1 10 14 30 o 0 221.2  20.4  ?    ?   525.998  -177.228     508.229    -177.228     182.329     -177.228     
1 1 1 10 14 31 o 0 61     8     ?    ?   423.587  16.7004      162.628    16.7004      101.148     -163.3       
1 1 1 10 14 32 o 0 55.7   9.1   ?    ?   215.13   75.0163      250.629    75.0163      118.441     75.0163      
1 1 1 10 14 33 o 0 58.4   9.1   ?    ?   270.817  57.9292      234.973    57.9292      74.8081     57.9292      
1 1 1 10 14 34 f 1 27.9   6.3   ?    ?   129.452  52.9275      162.838    52.9275      89.8302     52.9275      
1 1 1 10 14 35 o 0 52.6   8.2   ?    ?   322.613  138.982      189.002    138.982      11.8058     138.982      
1 1 1 10 14 36 o 0 8.8    7.7   ?    ?   125.029  -74.5846     46.7618    -74.5846     16.8687     105.415      
1 1 1 10 14 37 o 0 9.3    8.2   ?    ?   147.818  -4.86358     57.0441    -4.86358     9.99098     175.136      
1 1 1 10 15 0  o 0 208    22.7  ?    ?   281.848  -9.56602e-15 422.969    0            234.676     7.67533e-15  
1 1 1 10 15 1  o 0 463.7  32.4  ?    ?   1003.86  172.468      582.07     172.468      86.3958     -7.53182     
1 1 1 10 15 2  o 0 5      2.5   ?    ?   69.4577  83.3644      32.3303    -96.6356     78.4128     -96.6356     
1 1 1 10 15 3  f 1 145.6  10.1  ?    ?   295.8    -174.161     438.111    -174.161     243.147     -174.161     
1 1 1 10 15 5  o 0 44.9   4.9   ?    ?   110.023  -5.64902     99.1644    -5.64902     32.3354     -5.64902     
1 1 1 10 15 6  o 0 451.1  37.3  ?    ?   859.745  97.1243      595.063    97.1243      75.313      97.1243      
1 1 1 10 15 7  o 0 -3.3   2.8   ?    ?   386.637  -97.4597     216.937    82.5403      449.528     82.5403      
1 1 1 10 15 8  o 0 169.5  12.7  ?    ?   325.996  130.09       435.986    130.09       240.869     130.09       
1 1 1 10 15 9  o 0 2029.7 131.3 ?    ?   1889.27  7.60408      1218.22    7.60408      89.9201     7.60408      
1 1 1 10 15 10 o 0 272    18.2  ?    ?   822.45   -130.558     355.786    -130.558     132.744     49.442       
1 1 1 10 15 11 o 0 45.1   4.4   ?    ?   354.731  -15.4683     83.7184    -15.4683     125.813     164.532      
1 1 1 10 15 12 o 0 20.7   3.5   ?    ?   269.163  -104.635     4.51951    75.3654      162.588     75.3654      
1 1 1 10 15 13 o 0 123.7  9.6   ?    ?   582.832  31.858       202.459    31.858       137.758     -148.142     
1 1 1 10 15 14 o 0 5.6    2.9   ?    ?   120.586  -142.452     45.7703    37.5483      115.568     37.5483      
1 1 1 10 15 15 o 0 -1.6   3     ?    ?   169.973  -168.3       87.8405    11.6999      185.579     11.6999      
1 1 1 10 15 16 o 0 136.4  11.2  ?    ?   637.196  -141.656     200.059    -141.656     163.827     38.3438      
1 1 1 10 15 17 o 0 129.8  10.9  ?    ?   539.332  -24.3432     233.795    -24.3432     75.504      155.657      
1 1 1 10 15 18 o 0 284    25.7  ?    ?   651.026  82.4667      443.192    82.4667      72.6807     82.4667      
1 1 1 10 15 19 o 0 337.5  25.1  ?    ?   704.627  161.487      517.552    161.487      94.6105     161.487      
1 1 1 10 15 20 o 0 104.8  11    ?    ?   412.839  8.32439      248.467    8.32439      0.229872    8.32439      
1 1 1 10 15 21 f 1 61.6   7.8   ?    ?   251.489  60.9753      191.633    60.9753      42.1525     60.9753      
1 1 1 10 15 22 o 0 129.4  12    ?    ?   390.596  132.177      322.273    132.177      96.3513     132.177      
1 1 1 10 15 23 o 0 37.6   6.5   ?    ?   136.264  143.204      120.132    143.204      42.103      143.204      
1 1 1 10 15 24 o 0 -1.5   6     ?    ?   154.79   -171.409     54.0782    8.59114      137.099     8.59114      
1 1 1 10 15 25 o 0 137.1  14.2  ?    ?   451.471  122.537      323.327    122.537      92.3046     122.537      
1 1 1 10 15 26 o 0 180    17.3  ?    ?   630.084  -163.148     317.6      -163.148     1.05505     16.8516      
1 1 1 10 15 27 o 0 33.1   7.9   ?    ?   249.014  113.678      113.661    113.678      9.00156     -66.3224     
1 1 1 10 15 28 o 0 68     9.9   ?    ?   348.032  134.149      191.344    134.149      14.3033     134.149      
1 1 1 10 15 29 o 0 74.5   9.4   ?    ?   277.388  93.3767      293.465    93.3767      120.721     93.3767      
1 1 1 10 15 30 o 0 60.9   8.9   ?    ?   375.079  -52.8322     190.152    -52.8321     44.7528     127.168      
1 1 1 10 15 31 o 0 67.7   8.5   ?    ?   396.935  -35.6146     200.198    -35.6146     45.2471     144.385      
1 1 1 10 15 32 o 0 1.1    6.3   ?    ?   86.2121  40.1492      6.10252    -139.851     57.4455     -139.851     
1 1 1 10 15 33 o 0 12.2   7.8   ?    ?   99.4906  7.39939      56.0668    7.39938      0.617785    -172.601     
1 1 1 10 15 34 o 0 72.2   10.5  ?    ?   423.549  -64.8376     202.527    -64.8376     32.0415     115.162      
1 1 1 10 15 35 o 0 32.6   7.4   ?    ?   195.848  -64.301      171.205    -64.301      70.6374     -64.301      
1 1 1 10 15 36 o 0 0.8    6.7   ?    ?   126.429  103.238      18.3914    103.238      39.4994     -76.7619     
1 1 1 10 16 1  o 0 287.2  19.1  ?    ?   671.345  146.048      480.378    146.048      69.839      146.048      
1 1 1 10 16 2  o 0 91.2   7.2   ?    ?   240.38   -62.7383     280.472    -62.7383     133.95      -62.7383     
1 1 1 10 16 3  o 0 217.1  15.6  ?    ?   702.069  92.236       340.495    92.236       85.8993     -87.764      
1 1 1 10 16 4  f 1 753.4  52.5  ?    ?   867.677  -13.6205     923.436    -13.6205     399.888     -13.6205     
1 1 1 10 16 5  o 0 442.1  34    ?    ?   1024.27  -111.337     484.915    -111.337     133.978     68.6635      
1 1 1 10 16 6  o 0 80     6.8   ?    ?   151.843  -132.566     234.995    -132.566     143.658     -132.566     
1 1 1 10 16 7  o 0 222.3  17.5  ?    ?   450.202  178.607      477.615    178.607      208.086     178.607      
1 1 1 10 16 8  o 0 579.4  40.4  ?    ?   916.026  -95.5381     700.129    -95.5381     154.423     -95.5381     
1 1 1 10 16 9  o 0 274.2  21.2  ?    ?   551.436  136.124      506.977    136.124      180.158     136.124      
1 1 1 10 16 10 o 0 9.5    2.9   ?    ?   287.997  11.5041      84.5637    -168.496     254.336     -168.496     
1 1 1 10 16 11 o 0 146.3  11    ?    ?   484.239  -17.1032     304.776    -17.1032     20.9117     -17.1032     
1 1 1 10 16 12 o 0 41.5   4.6   ?    ?   231.107  -173.403     107.243    -173.403     27.1553     6.59653      
1 1 1 10 16 13 o 0 573.7  40.2  ?    ?   1086.4   155.111      579.419    155.111      48.5297     -24.8892     
1 1 1 10 16 14 o 0 369.4  26.3  ?    ?   794.152  -28.4944     499.22     -28.4944     43.1111     -28.4944     
1 1 1 10 16 15 o 0 6.3    3.2   ?    ?   19.6699  38.7606      6.51162    -141.239     17.8629     -141.239     
1 1 1 10 16 16 o 0 109    9.5   ?    ?   627.589  -47.7357     139.452    -47.7357     220.189     132.264      
1 1 1 10 16 17 o 0 166.6  14.6  ?    ?   547.293  177.743      321.748    177.743      9.24785     -2.25741     
1 1 1 10 16 18 o 0 331.5  24.4  ?    ?   760.665  141.47       474.492    141.47       13.3019     141.47       
1 1 1 10 16 19 o 0 90.5   9     ?    ?   394.3    -65.9532     220.28     -65.9532     16.8303     114.047      
1 1 1 10 16 20 o 0 78.9   10.3  ?    ?   300.416  172.444      227.645    172.444      48.5474     172.444      
1 1 1 10 16 21 o 0 274.3  21.1  ?    ?   515.864  -62.0251     522.456    -62.0251     223.844     -62.0251     
1 1 1 10 16 22 o 0 322.9  26.8  ?    ?   847.251  49.4285      405.438    49.4285      80.2979     -130.572     
1 1 1 10 16 23 o 0 52.4   8.3   ?    ?   265.406  92.6282      173.806    92.6282      31.2299     92.6282      
1 1 1 10 16 24 f 1 -1.4   6     ?    ?   228.394  -136.237     73.9716    43.7628      190.782     43.7628      
1 1 1 10 16 25 o 0 189    16.6  ?    ?   510.199  -170.275     392.244    -170.275     133.567     -170.275     
1 1 1 10 16 26 o 0 -0.1   6.5   ?    ?   195.279  31.9738      49.212     -148.026     145.697     -148.026     
1 1 1 10 16 27 o 0 295.8  25.8  ?    ?   840.371  26.3278      374.246    26.3278      54.764      -153.672     
1 1 1 10 16 28 o 0 6      6.3   ?    ?   111.066  -20.7903     6.77611    159.21       76.2265     159.21       
1 1 1 10 16 29 f 1 97.8   10.9  ?    ?   327.289  3.42858      338.841    3.42858      133.437     3.42858      
1 1 1 10 16 30 o 0 18.2   6.7   ?    ?   196.404  -19.1454     72.6109    -19.1454     49.4755     160.855      
1 1 1 10 16 31 o 0 131.8  11.9  ?    ?   507.017  -166.491     322.054    -166.491     18.3299     -166.491     
1 1 1 10 16 32 f 1 7.4    6.6   ?    ?   162.524  -38.1033     15.416     -38.1033     77.5442     141.897      
1 1 1 10 16 33 o 0 23.9   7.3   ?    ?   112.368  -65.0858     145.89     -65.0858     83.2145     -65.0858     
1 1 1 10 16 34 f 1 23.5   7.5   ?    ?   176.918  -131.223     127.951    -131.223     36.6303     -131.223     
1 1 1 10 16 35 o 0 32.1   8.8   ?    ?   232.628  12.8495      159.014    12.8495      51.5947     12.8495      
1 1 1 10 17 0  o 0 513.8  47.8  ?    ?   891.508  -2.23753e-14 607.518    0            65.074      1.86516e-13  
1 1 1 10 17 1  o 0 563.3  36.9  ?    ?   739.405  15.475       798.288    15.475       349.455     15.475       
1 1 1 10 17 2  o 0 15.5   3.3   ?    ?   132.052  39.4021      7.10635    -140.598     87.0375     -140.598     
1 1 1 10 17 3  o 0 220.9  15    ?    ?   511.499  9.47874      447.564    9.47874      138.958     9.47874      
1 1 1 10 17 4  o 0 2898.3 187.1 ?    ?   1925.28  113.58       1650.41    113.58       493.021     113.58       
1 1 1 10 17 5  o 0 409.7  34.2  ?    ?   1064.05  -116.712     415.223    -116.712     221.909     63.2879      
1 1 1 10 17 6  o 0 10.2   3.5   ?    ?   315.805  111.261      93.5294    -68.7386     281.824     -68.7386     
1 1 1 10 17 7  f 1 74.7   6.8   ?    ?   228.738  128.308      225.054    128.308      89.6379     128.308      
1 1 1 10 17 8  o 0 333    22.2  ?    ?   825.914  106.646      442.839    106.646      45.0279     -73.3536     
1 1 1 10 17 9  o 0 53.1   5     ?    ?   257.995  133.157      148.829    133.157      2.47328     -46.8433     
1 1 1 10 17 10 o 0 25.2   3.7   ?    ?   100.437  61.2506      31.7076    61.2506      26.882      -118.749     
1 1 1 10 17 11 o 0 18.2   3.4   ?    ?   199.993  73.5566      0.255402   73.5566      115.761     -106.443     
1 1 1 10 17 12 o 0 224.6  17.4  ?    ?   569.247  179.852      406.563    179.852      78.2652     179.852      
1 1 1 10 17 13 o 0 504.8  35.5  ?    ?   838.519  -147.086     633.383    -147.086     147.205     -147.086     
1 1 1 10 17 14 o 0 339.9  23    ?    ?   899.311  26.3025      394.163    26.3025      123.915     -153.698     
1 1 1 10 17 15 o 0 3      3.7   ?    ?   71.5969  -134.828     31.9613    45.1724      75.5181     45.1724      
1 1 1 10 17 16 o 0 -1.8   3.6   ?    ?   197.189  13.9225      103.462    -166.078     222.572     -166.078     
1 1 1 10 17 17 o 0 521.7  40.4  ?    ?   950.226  -126.088     601.621    -126.088     26.0503     -126.088     
1 1 1 10 17 18 o 0 194.1  14.5  ?    ?   545.87   141.226      370.447    141.226      42.4062     141.226      
1 1 1 10 17 19 o 0 291.5  22.1  ?    ?   717.407  9.11886      442.806    9.11886      23.8611     9.11886      
1 1 1 10 17 20 o 0 18.2   5.4   ?    ?   217.956  130.35       21.0658    130.35       105.1       -49.6499     
1 1 1 10 17 21 o 0 141.5  13.7  ?    ?   408.803  -44.2547     351.37     -44.2547     129.434     -44.2547     
1 1 1 10 17 22 o 0 136.5  13.2  ?    ?   556.018  -129.607     265.733    -129.607     33.1926     50.3931      
1 1 1 10 17 23 o 0 7      5.3   ?    ?   128.052  53.8449      15.617     -126.155     81.3551     -126.155     
1 1 1 10 17 24 o 0 17.6   6.4   ?    ?   169.734  25.8135      40.9877    25.8135      45.2108     -154.186     
1 1 1 10 17 25 o 0 33.8   7.6   ?    ?   126.39   131.565      131.737    131.565      69.1572     131.565      
1 1 1 10 17 26 o 0 80.7   9.2   ?    ?   509.887  -26.7667     153.463    -26.7667     107.513     153.233      
1 1 1 10 17 27 f 1 31.2   7.3   ?    ?   240.961  -130.602     132.194    -130.602     18.5631     49.3979      
1 1 1 10 17 28 o 0 41.5   8     ?    ?   221.861  -99.0087     194.236    -99.0087     54.1275     -99.0087     
1 1 1 10 17 29 o 0 28.5   10.2  ?    ?   165.378  -75.7115     139.588    -75.7115     36.354      -75.7115     
1 1 1 10 17 30 o 0 40.7   8.4   ?    ?   346.278  156.374      126.383    156.374      82.0476     -23.6263     
1 1 1 10 17 31 o 0 42.6   7.5   ?    ?   346.2    -171.315     140.808    -171.315     58.7921     8.68497      
1 1 1 10 17 32 o 0 4.1    6.1   ?    ?   83.0158  -0.480511    7.42721    -0.480511    39.6881     179.519      
1 1 1 10 17 33 o 0 34.2   7     ?    ?   306.112  -165.382     122.141    -165.382     46.8314     14.6178      
1 1 1 10 17 34 o 0 -2.8   6     ?    ?   106.215  -13.0964     8.32738    166.904      62.7223     166.904      
1 1 1 10 18 0  o 0 605.5  56.2  ?    ?   1271.33  -1.63425e-14 651.05     0            113.608     180          
1 1 1 10 18 1  o 0 389.3  25.8  ?    ?   803.504  -28.6247     541.188    -28.6247     58.8586     -28.6247     
1 1 1 10 18 2  o 0 23.3   3.8   ?    ?   62.5294  8.23095      16.0124    8.23095      21.4308     -171.769     
1 1 1 10 18 3  o 0 87.3   7.1   ?    ?   330.411  -155.803     235.805    -155.803     38.525      -155.803     
1 1 1 10 18 4  o 0 631.9  44.2  ?    ?   1062.31  159.806      670.809    159.806      39.9907     159.806      
1 1 1 10 18 5  o 0 339.8  24.5  ?    ?   752.884  23.4052      496.265    23.4052      50.8318     23.4052      
1 1 1 10 18 6  o 0 70.2   6.6   ?    ?   485.318  -121.982     113.699    -121.982     172.279     58.0178      
1 1 1 10 18 7  o 0 85.9   8     ?    ?   300.049  -82.9402     242.247    -82.9402     66.2063     -82.9402     
1 1 1 10 18 8  o 0 351    32.5  ?    ?   816.264  -91.8381     468.085    -91.8381     8.60203     88.1619      
1 1 1 10 18 9  o 0 1393.8 96.6  ?    ?   1278.48  78.1649      1145.57    78.1649      402.637     78.1649      
1 1 1 10 18 10 o 0 118.9  9.1   ?    ?   581.607  101.919      192.305    101.919      143.904     -78.0811     
1 1 1 10 18 11 o 0 76.6   6.9   ?    ?   399.593  135.07       172.254    135.07       60.1122     -44.9302     
1 1 1 10 18 12 o 0 107.3  8.9   ?    ?   461.602  132.315      222.926    132.315      43.9356     -47.6855     
1 1 1 10 18 13 o 0 1005.4 75.7  ?    ?   1301.44  -2.87277     869.441    -2.87277     74.4052     -2.87277     
1 1 1 10 18 14 o 0 77.1   8.4   ?    ?   449.466  137.317      155.675    137.317      117.122     -42.6831     
1 1 1 10 18 15 f 1 18.5   4.2   ?    ?   132.367  -132.681     21.7656    -132.681     58.6416     47.3195      
1 1 1 10 18 16 o 0 77.1   7.8   ?    ?   444.349  150.604      157.401    150.604      111.273     -29.396      
1 1 1 10 18 17 o 0 57.9   6.6   ?    ?   564.465  -66.9905     30.5039    -66.9905     308.214     113.01       
1 1 1 10 18 18 o 0 105.5  11.2  ?    ?   571.847  -56.4581     173.097    -56.4581     160.462     123.542      
1 1 1 10 18 19 o 0 28     6.5   ?    ?   228.006  111.859      72.5932    111.859      59.2837     -68.1413     
1 1 1 10 18 20 o 0 20     4.4   ?    ?   332.855  -50.5768     7.45465    -50.5768     173.168     129.423      
1 1 1 10 18 21 o 0 173.8  13.4  ?    ?   583.675  147.212      327.305    147.212      13.5345     147.212      
1 1 1 10 18 22 o 0 277.1  20.7  ?    ?   542.895  145.803      525.689    145.803      246.89      145.803      
1 1 1 10 18 23 o 0 3.9    5.2   ?    ?   264.703  -145.803     70.4853    34.1969      205.014     34.1969      
1 1 1 10 18 24 o 0 23.3   5.9   ?    ?   96.2512  169.067      75.3701    169.067      27.6562     169.067      
1 1 1 10 18 25 o 0 132.6  13.7  ?    ?   459.745  -108.099     297.314    -108.099     61.6105     -108.099     
1 1 1 10 18 26 o 0 112.9  13.8  ?    ?   486.807  87.4452      293.554    87.4452      12.4605     -92.5548     
1 1 1 10 18 27 o 0 24.6   6.1   ?    ?   241.807  62.6684      99.3217    62.6684      53.7901     -117.332     
1 1 1 10 18 28 o 0 -3.1   6     ?    ?   49.5541  37.2667      12.9959    -142.733     44.0281     -142.733     
1 1 1 10 18 29 f 1 26.7   7.5   ?    ?   239.774  -109.199     114.102    -109.199     30.3899     70.8011      
1 1 1 10 18 30 o 0 -3.7   9.4   ?    ?   133.157  -36.3578     6.75798    143.642      83.8607     143.642      
1 1 1 10 18 31 f 1 75     9.2   ?    ?   370.976  86.0608      243.142    86.0608      32.1072     86.0608      
1 1 1 10 18 32 o 0 24.5   6.1   ?    ?   210.908  -171.272     120.039    -171.272     2.97727     -171.272     
1 1 1 10 18 33 o 0 19     6.9   ?    ?   146.176  160.914      109.523    160.914      34.2045     160.914      
1 1 1 10 18 34 f 1 11.9   7.7   ?    ?   128.752  177.61       76.7252    177.61       17.6474     177.61       
1 1 1 10 19 0  o 0 664.9  61.7  ?    ?   937.749  -2.22204e-14 673.217    0            117.283     1.05327e-13  
1 1 1 10 19 1  o 0 573.3  37.6  ?    ?   1051.79  -11.5059     613.802    -11.5059     8.74873     168.494      
1 1 1 10 19 2  f 1 115.6  9     ?    ?   281.931  -114.105     329.162    -114.105     163.066     -114.105     
1 1 1 10 19 3  o 0 211.1  14.7  ?    ?   650.732  0.415173     347.994    0.415173     35.377      -179.585     
1 1 1 10 19 4  f 1 394.1  28.2  ?    ?   337.491  -107.927     780.273    -107.927     582.551     -107.927     
1 1 1 10 19 5  f 1 1170.8 88    ?    ?   1264.92  174.944      1003.85    174.944      265.317     174.944      
1 1 1 10 19 6  o 0 38.3   5.5   ?    ?   365.138  -47.2831     53.2433    -47.2831     159.687     132.717      
1 1 1 10 19 7  o 0 60.7   6.7   ?    ?   457.198  -145.921     95.9294    -145.921     172.643     34.0793      
1 1 1 10 19 8  f 1 291.1  21    ?    ?   572.891  -29.7997     511.188    -29.7997     177.024     -29.7997     
1 1 1 10 19 9  o 0 392.3  27.8  ?    ?   747.967  54.9648      551.406    54.9648      116.103     54.9648      
1 1 1 10 19 10 o 0 29.5   4.2   ?    ?   147.787  -139.61      63.3529    -139.61      22.2141     40.3899      
1 1 1 10 19 11 o 0 9.9    4.2   ?    ?   111.217  -135.584     24.334     44.4164      92.4227     44.4164      
1 1 1 10 19 12 o 0 77.5   7.8   ?    ?   380.892  -71.3533     194.129    -71.3533     40.0993     108.647      
1 1 1 10 19 13 o 0 429.7  31.1  ?    ?   697.894  -24.132      646.859    -24.132      220.329     -24.132      
1 1 1 10 19 14 o 0 172    15.2  ?    ?   448.822  -178.782     383.521    -178.782     110.999     -178.782     
1 1 1 10 19 15 o 0 12.1   5.8   ?    ?   147.534  103.526      16.9798    -76.4744     105.947     -76.4744     
1 1 1 10 19 16 o 0 3.8    7.8   ?    ?   171.87   -164.935     46.4123    15.0653      147.232     15.0653      
1 1 1 10 19 17 o 0 129.6  12.7  ?    ?   520.385  135.071      257.46     135.071      45.4647     -44.9287     
1 1 1 10 19 18 o 0 150    12.6  ?    ?   307.632  -101.371     417.828    -101.371     249.684     -101.371     
1 1 1 10 19 19 o 0 1.5    4.1   ?    ?   166.97   -21.7476     61.1429    158.252      151.628     158.252      
1 1 1 10 19 20 o 0 32.5   4.5   ?    ?   107.581  -47.5023     113.502    -47.5023     57.7597     -47.5023     
1 1 1 10 19 21 o 0 46.6   5.5   ?    ?   363.46   7.21759      122.878    7.21759      63.6669     -172.782     
1 1 1 10 19 22 f 1 27.9   4.8   ?    ?   102.598  121.861      100.701    121.861      49.4217     121.861      
1 1 1 10 19 23 o 0 23.1   4.9   ?    ?   183.814  158.541      83.9419    158.541      7.20372     -21.4588     
1 1 1 10 19 24 o 0 32.1   6     ?    ?   264.136  136.814      104.989    136.814      30.5265     -43.1863     
1 1 1 10 19 25 o 0 16     5.6   ?    ?   151.044  131.895      72.172     131.895      24.8024     -48.1051     
1 1 1 10 19 26 o 0 260.1  30.2  ?    ?   498.686  -11.366      577.457    -11.366      261.16      -11.366      
1 1 1 10 19 27 o 0 5.8    7.5   ?    ?   128.504  93.2296      7.88701    93.2296      72.7617     -86.7704     
1 1 1 10 19 28 o 0 15.7   6     ?    ?   105.062  99.4622      81.5702    99.4622      17.9225     99.4622      
1 1 1 10 19 29 o 0 20     6.5   ?    ?   227.077  -135.931     81.0377    -135.931     50.8761     44.0694      
1 1 1 10 19 30 o 0 51.7   7.8   ?    ?   284.628  -23.3068     207.967    -23.3068     45.0156     -23.3068     
1 1 1 10 19 31 o 0 81     10.2  ?    ?   363.841  66.6229      262.424    66.6229      59.5909     66.6229      
1 1 1 10 19 32 o 0 25.6   7.2   ?    ?   151.513  -147.206     151.948    -147.206     73.4902     -147.206     
1 1 1 10 19 33 o 0 -1     7.2   ?    ?   93.9632  141.842      20.0442    141.842      23.4239     -38.1576     
1 1 1 10 20 0  o 0 171.8  17.8  ?    ?   1006.32  180          338.743    180          256.912     -7.49557e-14 
1 1 1 10 20 1  o 0 142.2  10.7  ?    ?   407.873  44.987       336.154    44.987       95.0252     44.987       
1 1 1 10 20 2  o 0 5.3    4     ?    ?   186.799  -178.894     70.4387    1.10596      180.677     1.10596      
1 1 1 10 20 3  o 0 30.4   5.1   ?    ?   154.809  -67.5676     69.0171    -67.5676     22.1362     112.432      
1 1 1 10 20 4  o 0 485    32.2  ?    ?   826.59   -94.1727     625.653    -94.1727     140.271     -94.1727     
1 1 1 10 20 5  f 1 69.3   9     ?    ?   223.815  53.8492      214.596    53.8492      83.9214     53.8492      
1 1 1 10 20 6  o 0 65.1   7.6   ?    ?   305.085  51.1503      177.576    51.1503      0.372061    -128.85      
1 1 1 10 20 7  o 0 49.4   6.9   ?    ?   285.978  -48.8393     137.447    -48.8393     39.1983     131.161      
1 1 1 10 20 8  o 0 36.8   7     ?    ?   263.896  37.3812      89.9104    37.3812      72.3897     -142.619     
1 1 1 10 20 9  o 0 76.9   8     ?    ?   181.12   -85.1707     262.61     -85.1707     150.596     -85.1707     
1 1 1 10 20 10 o 0 37.4   4.8   ?    ?   427.546  -107.172     25.9334    -107.172     237.147     72.8281      
1 1 1 10 20 11 o 0 7.8    3.6   ?    ?   19.7265  60.8392      5.13168    -119.161     17.2042     -119.161     
1 1 1 10 20 12 o 0 54     5.8   ?    ?   73.5558  -129.988     123.154    -129.988     78.3973     -129.988     
1 1 1 10 20 13 o 0 272    22.4  ?    ?   476.244  143.006      552.1      143.006      269.895     143.006      
1 1 1 10 20 14 o 0 33     6.9   ?    ?   204.652  -25.9804     103.473    -25.9804     17.0068     154.02       
1 1 1 10 20 15 o 0 -1.9   6.5   ?    ?   87.2952  127.729      34.1644    -52.2707     85.2008     -52.2707     
1 1 1 10 20 16 f 1 32.2   7.3   ?    ?   49.1185  -1.42008     58.3794    -1.42008     31.4644     -1.42008     
1 1 1 10 20 17 o 0 48.4   7.9   ?    ?   277.298  89.6108      157.635    89.6108      6.47005     89.6108      
1 1 1 10 20 18 o 0 53     8.4   ?    ?   276.646  46.6146      172.471    46.6146      22.8912     46.6146      
1 1 1 10 20 19 o 0 33.4   7.2   ?    ?   140.414  -9.70967     125.915    -9.70967     53.2982     -9.70967     
1 1 1 10 20 20 o 0 15     6.4   ?    ?   76.5387  17.0775      21.2912    17.0775      17.933      -162.922     
1 1 1 10 20 21 o 0 88.8   9.1   ?    ?   301.152  -74.8883     279.833    -74.8883     129.094     -74.8883     
1 1 1 10 20 22 o 0 16.7   4     ?    ?   100.878  69.7458      55.6196    69.7458      3.3248      69.7458      
1 1 1 10 20 23 o 0 51     7.2   ?    ?   148.212  -18.6445     258.992    -18.6445     164.648     -18.6445     
1 1 1 10 20 24 o 0 -7.4   4.8   ?    ?   26.6749  -112.58      12.0856    67.4203      29.2152     67.4203      
1 1 1 10 20 25 o 0 7.7    5.3   ?    ?   52.6617  167.38       9.1417     167.38       24.2823     -12.6196     
1 1 1 10 20 26 o 0 16.1   5.5   ?    ?   177.724  54.4853      68.2401    54.4853      43.4293     -125.515     
1 1 1 10 20 27 o 0 69     8.9   ?    ?   315.246  -151.249     256.474    -151.249     65.1738     -151.249     
1 1 1 10 20 28 f 1 13.9   7.7   ?    ?   65.4782  43.8569      57.7091    43.8569      19.6856     43.8569      
1 1 1 10 20 29 o 0 4.3    9.7   ?    ?   83.7598  -120.104     30.6333    -120.104     16.9072     59.8964      
1 1 1 10 20 30 o 0 18.7   6.4   ?    ?   210.071  -145.577     80.4572    -145.577     37.0392     34.4232      
1 1 1 10 20 31 o 0 36.1   6.8   ?    ?   265.455  168.789      160.773    168.789      22.7793     168.789      
1 1 1 10 20 32 o 0 8.6    5.9   ?    ?   128.82   -12.5481     56.6155    -12.5481     3.24365     167.452      
1 1 1 10 21 0  f 1 93     11.5  ?    ?   488.253  180          260.626    180          41.6609     3.92368e-14  
1 1 1 10 21 1  o 0 85.1   7.8   ?    ?   482.223  48.5495      166.088    48.5495      132.966     -131.45      
1 1 1 10 21 2  o 0 1.1    4.8   ?    ?   192.703  -125.127     88.6209    54.8726      209.187     54.8726      
1 1 1 10 21 3  o 0 44.7   6.1   ?    ?   280.389  93.4456      126.269    93.4455      48.8135     -86.5545     
1 1 1 10 21 4  f 1 185.5  15.7  ?    ?   641.225  -41.8158     312.568    -41.8158     85.8242     138.184      
1 1 1 10 21 5  o 0 370.2  26.9  ?    ?   913.981  79.8427      449.316    79.8427      118.347     -100.157     
1 1 1 10 21 6  o 0 15.5   5.6   ?    ?   136.378  90.0282      3.23785    90.0282      81.1814     -89.9718     
1 1 1 10 21 7  o 0 162.8  15.6  ?    ?   582.657  109.587      295.808    109.587      63.5057     -70.4127     
1 1 1 10 21 8  o 0 82.4   8.5   ?    ?   351.562  -138.222     222.711    -138.222     6.81316     -138.222     
1 1 1 10 21 9  o 0 29.3   4.6   ?    ?   394.083  -116.68      4.63958    -116.68      236.267     63.32        
1 1 1 10 21 10 o 0 30.9   4.6   ?    ?   313.808  44.3764      60.1026    44.3764      126.94      -135.624     
1 1 1 10 21 11 o 0 17.2   4     ?    ?   294.066  83.8297      8.86604    -96.1703     183.206     -96.1703     
1 1 1 10 21 12 o 0 10.3   5.2   ?    ?   243.412  92.5615      44.531     -87.4385     188.014     -87.4385     
1 1 1 10 21 13 o 0 172.8  15.7  ?    ?   615.23   -104.716     298.031    -104.716     62.4078     75.2843      
1 1 1 10 21 14 o 0 29.7   8     ?    ?   398.372  -146.559     28.1016    -146.559     191.384     33.4413      
1 1 1 10 21 15 o 0 16.7   6.8   ?    ?   145.784  62.1967      29.5289    62.1967      50.2362     -117.803     
1 1 1 10 21 16 o 0 4.8    6.3   ?    ?   41.7586  -80.3675     8.28324    99.6325      30.9637     99.6325      
1 1 1 10 21 17 o 0 417.3  37    ?    ?   699.122  24.3513      634.824    24.3513      271.33      24.3513      
1 1 1 10 21 18 o 0 19.6   6.8   ?    ?   162.999  75.6705      53.3071    75.6705      30.7456     -104.33      
1 1 1 10 21 19 o 0 18.5   6.8   ?    ?   321.993  178.968      12.5627    178.968      149.755     -1.03178     
1 1 1 10 21 20 o 0 23.8   6.8   ?    ?   284.646  -167.217     59.301     -167.217     82.8789     12.7833      
1 1 1 10 21 21 o 0 171.4  17.3  ?    ?   467.069  10.2231      370.353    10.2231      128.631     10.2231      
1 1 1 10 21 22 o 0 20.7   8.7   ?    ?   79.7667  -46.3196     72.6093    -46.3196     21.8966     -46.3196     
1 1 1 10 21 23 o 0 48     6.8   ?    ?   166.835  -142.293     250.761    -142.293     143.711     -142.293     
1 1 1 10 21 24 o 0 1.8    3.8   ?    ?   99.3434  -52.275      26.5783    127.725      89.7485     127.725      
1 1 1 10 21 25 o 0 103.3  9.1   ?    ?   372.526  -30.033      330.059    -30.033      95.9547     -30.033      
1 1 1 10 21 26 o 0 90.6   9.2   ?    ?   369.375  110.651      296.575    110.651      72.2842     110.651      
1 1 1 10 21 27 o 0 30.5   7.4   ?    ?   344.359  -153.457     85.091     -153.457     115.626     26.5431      
1 1 1 10 21 28 o 0 13     6.5   ?    ?   71.7121  46.1309      64.7187    46.1309      23.9481     46.1309      
1 1 1 10 21 29 o 0 13.7   11.7  ?    ?   199.98   174.325      57.2084    174.325      48.5848     -5.67497     
1 1 1 10 21 30 o 0 19.6   8.7   ?    ?   263.212  152.723      59.5217    152.723      77.6852     -27.2769     
1 1 1 10 21 31 o 0 0.9    5.9   ?    ?   84.9022  68.1211      19.0705    68.1211      20.513      -111.879     
1 1 1 10 22 0  o 0 356.4  34.3  ?    ?   863.026  -2.23022e-14 503.164    0            30.2438     180          
1 1 1 10 22 1  o 0 155    11.9  ?    ?   580.22   -164.666     282.128    -164.666     76.2767     15.3335      
1 1 1 10 22 2  o 0 14.1   5.5   ?    ?   151.795  -13.3241     6.62325    166.676      100.28      166.676      
1 1 1 10 22 3  o 0 31.1   7.1   ?    ?   346.467  -156.315     35.4956    -156.315     177.914     23.6846      
1 1 1 10 22 4  f 1 384.7  33.3  ?    ?   691.078  -31.9765     593.411    -31.9765     169.757     -31.9765     
1 1 1 10 22 5  o 0 10.7   4.6   ?    ?   146.072  -47.4175     15.4292    132.582      103.166     132.582      
1 1 1 10 22 6  o 0 37.5   6.7   ?    ?   102.722  17.6624      111.371    17.6624      49.8657     17.6624      
1 1 1 10 22 7  o 0 13.2   5     ?    ?   68.7733  82.3332      3.90765    82.3332      37.1235     -97.6668     
1 1 1 10 22 8  o 0 185.3  15    ?    ?   509.299  53.4421      386.158    53.4422      83.5206     53.4422      
1 1 1 10 22 9  o 0 107.6  10.1  ?    ?   316.87   -172.169     312.511    -172.169     125.053     -172.169     
1 1 1 10 22 10 o 0 5      3.9   ?    ?   51.8504  57.7553      16.5803    -122.245     47.1059     -122.245     
1 1 1 10 22 11 o 0 13.2   3.7   ?    ?   89.8283  -98.7941     14.1613    -98.7941     35.635      81.2059      
1 1 1 10 22 12 o 0 120.8  12    ?    ?   568.111  -130.882     231.084    -130.882     82.0635     49.1179      
1 1 1 10 22 13 o 0 67.9   9     ?    ?   216.81   -128.399     243.728    -128.399     124.948     -128.399     
1 1 1 10 22 14 o 0 52.3   9.1   ?    ?   343.893  52.6277      153.076    52.6277      27.5098     -127.372     
1 1 1 10 22 15 o 0 5.9    6.4   ?    ?   92.8067  43.1383      11.3853    -136.862     59.7829     -136.862     
1 1 1 10 22 16 o 0 78.5   9.8   ?    ?   386.24   -28.6857     214.103    -28.6857     14.1649     -28.6857     
1 1 1 10 22 17 o 0 70.6   9.4   ?    ?   195.662  -6.84229     266.09     -6.84229     166.989     -6.84229     
1 1 1 10 22 18 o 0 32.2   7.2   ?    ?   246.103  138.629      113.1      138.629      10.5199     -41.3708     
1 1 1 10 22 19 o 0 9.1    6.9   ?    ?   191.789  -165.343     2.75523    14.6565      102.662     14.6565      
1 1 1 10 22 20 o 0 2.5    8.9   ?    ?   222.177  -37.1962     41.7689    142.804      184.079     142.804      
1 1 1 10 22 21 o 0 30.4   7.4   ?    ?   178.662  56.4693      160.884    56.4693      45.2749     56.4693      
1 1 1 10 22 22 o 0 90.4   12.1  ?    ?   246.96   112.147      362.574    112.147      204.401     112.147      
1 1 1 10 22 23 o 0 16     8     ?    ?   41.4741  -163.924     43.0568    -163.924     16.7204     -163.924     
1 1 1 10 22 24 o 0 -2.6   7.4   ?    ?   28.069   -123.814     2.51066    56.1861      19.751      56.1861      
1 1 1 10 22 25 o 0 123.8  12.6  ?    ?   400.478  -59.6264     365.152    -59.6264     122.075     -59.6264     
1 1 1 10 22 26 o 0 69.6   7.6   ?    ?   405.061  -142.175     214.496    -142.175     21.6228     37.8251      
1 1 1 10 22 27 o 0 68.5   8     ?    ?   318.581  19.7915      256.953    19.7915      75.721      19.7915      
1 1 1 10 22 28 f 1 -0.9   5.4   ?    ?   87.85    -119.122     3.23168    60.8782      49.6387     60.8782      
1 1 1 10 22 29 o 0 4      5.8   ?    ?   33.8227  -48.8916     20.0982    -48.8916     4.05841     -48.8916     
1 1 1 10 23 0  o 0 20.9   7.4   ?    ?   37.905   1.85218e-13  18.0654    0            4.54182     -180         
1 1 1 10 23 1  o 0 244.8  22.7  ?    ?   507.276  179.897      492.974    179.897      190.512     179.897      
1 1 1 10 23 2  o 0 37.3   7.9   ?    ?   283.429  -40.2398     100.819    -40.2398     68.0295     139.76       
1 1 1 10 23 3  o 0 93.8   9.9   ?    ?   442.427  -56.0144     215.73     -56.0144     47.4655     123.986      
1 1 1 10 23 5  o 0 338.2  24.6  ?    ?   1029.43  -175.804     337.287    -175.804     272.433     4.19647      
1 1 1 10 23 6  o 0 53     7.2   ?    ?   352.778  141.686      147.576    141.686      49.6325     -38.3138     
1 1 1 10 23 7  o 0 28.8   7.6   ?    ?   92.7398  -162.216     81.8047    -162.216     30.1377     -162.216     
1 1 1 10 23 8  o 0 406.3  29.8  ?    ?   760.893  159.686      600.843    159.686      178.568     159.686      
1 1 1 10 23 9  o 0 169.1  12.8  ?    ?   745.184  -14.173      243.057    -14.173      168.724     165.827      
1 1 1 10 23 10 o 0 33.2   4.8   ?    ?   143.504  -25.9805     119.114    -25.9805     40.1906     -25.9805     
1 1 1 10 23 11 o 0 26.1   5.2   ?    ?   232.692  -112.524     85.5238    -112.524     37.3045     67.4755      
1 1 1 10 23 12 o 0 238.9  20.5  ?    ?   674.138  37.5475      411.124    37.5475      57.2667     37.5475      
1 1 1 10 23 13 o 0 247.9  24    ?    ?   586.273  114.953      462.169    114.953      156.29      114.953      
1 1 1 10 23 14 f 1 148    14.5  ?    ?   410.325  -163.307     374.641    -163.307     165.435     -163.307     
1 1 1 10 23 15 o 0 24.5   6.9   ?    ?   123.919  -65.0429     90.8962    -65.0429     27.9906     -65.0429     
1 1 1 10 23 16 o 0 58.7   8.7   ?    ?   242.708  159.51       214.212    159.51       91.9112     159.51       
1 1 1 10 23 17 f 1 51.3   10.5  ?    ?   256.698  -93.488      180.775    -93.488      46.8553     -93.488      
1 1 1 10 23 18 o 0 12.4   9     ?    ?   246.399  -83.3792     2.63342    -83.3792     155.981     96.6208      
1 1 1 10 23 19 f 1 6.6    7.6   ?    ?   88.3987  26.5301      12.6223    26.5301      44.7712     -153.47      
1 1 1 10 23 20 o 0 16.5   7.2   ?    ?   173.044  9.28152      66.4023    9.28152      45.1952     -170.718     
1 1 1 10 23 21 o 0 134    15.5  ?    ?   440.289  14.2965      370.033    14.2965      88.2368     14.2965      
1 1 1 10 23 22 f 1 -6.5   8.1   ?    ?   61.9155  54.4992      9.52642    -125.501     47.796      -125.501     
1 1 1 10 23 23 o 0 37.8   10.3  ?    ?   253.935  172.328      160.437    172.328      4.77409     172.328      
1 1 1 10 23 24 o 0 7.3    6.8   ?    ?   108.153  88.2588      26.366     88.2588      37.3725     -91.7412     
1 1 1 10 23 25 o 0 121.3  12.9  ?    ?   407.928  -162.474     359.189    -162.474     124.325     -162.474     
1 1 1 10 23 26 o 0 118.7  12.9  ?    ?   409.869  -117.697     344.535    -117.697     111.486     -117.697     
1 1 1 10 23 27 o 0 40.5   6.7   ?    ?   348.26   68.5259      144.215    68.5259      40.2339     -111.474     
1 1 1 10 23 28 f 1 4.4    5.1   ?    ?   48.7878  161.499      25.2553    161.499      2.16516     161.499      
1 1 1 10 24 1  o 0 44.2   9.1   ?    ?   303.761  -47.3926     133.009    -47.3926     35.7419     132.607      
1 1 1 10 24 2  o 0 17.2   5.9   ?    ?   51.2295  79.4616      18.8528    79.4616      9.59029     -100.538     
1 1 1 10 24 3  o 0 170.7  15.1  ?    ?   441.356  -91.4644     402.974    -91.4644     158.212     -91.4644     
1 1 1 10 24 4  o 0 768    53.9  ?    ?   1351.68  23.4062      651.694    23.4062      96.6337     -156.594     
1 1 1 10 24 5  o 0 26.3   6.4   ?    ?   107.871  60.5012      77.3028    60.5012      17.7152     60.5012      
1 1 1 10 24 6  o 0 46.2   5.8   ?    ?   330.199  -172.58      140.007    -172.58      35.4896     7.4199       
1 1 1 10 24 7  o 0 24.2   6     ?    ?   269.699  -39.5405     63.8965    -39.5405     78.9845     140.46       
1 1 1 10 24 8  o 0 17.9   5.4   ?    ?   242.642  79.0897      35.6467    79.0897      92.4261     -100.91      
1 1 1 10 24 9  o 0 259.9  20.3  ?    ?   817.936  79.3413      372.711    79.3413      57.2215     -100.659     
1 1 1 10 24 10 o 0 60.4   7.3   ?    ?   418.999  -125.617     147.507    -125.617     71.7154     54.3832      
1 1 1 10 24 11 o 0 7.8    4.4   ?    ?   79.7693  2.87841      2.26075    -177.122     43.2088     -177.122     
1 1 1 10 24 12 o 0 20.9   5.1   ?    ?   261.969  -132.462     54.4579    -132.462     79.276      47.5384      
1 1 1 10 24 13 o 0 67.9   10.6  ?    ?   309.642  102.875      218.815    102.875      61.6889     102.875      
1 1 1 10 24 14 o 0 37.9   7.6   ?    ?   304.274  0.359432     114.744    0.359432     45.7479     -179.641     
1 1 1 10 24 15 o 0 -11    8.4   ?    ?   59.0951  -68.0644     21.0879    111.936      59.5042     111.936      
1 1 1 10 24 16 o 0 86     16.1  ?    ?   333.997  128.034      301.989    128.034      86.4636     128.034      
1 1 1 10 24 17 o 0 142.8  14.6  ?    ?   418.996  126.158      417.245    126.158      143.586     126.158      
1 1 1 10 24 18 o 0 50.7   8.6   ?    ?   224.281  -20.7685     238.24     -20.7685     92.972      -20.7685     
1 1 1 10 24 19 o 0 11.6   6.8   ?    ?   225.682  -57.3424     11.5533    -57.3424     133.655     122.658      
1 1 1 10 24 20 o 0 8.5    7.4   ?    ?   25.0194  -79.1955     9.96334    -79.1955     5.98513     100.805      
1 1 1 10 24 21 o 0 18     8.9   ?    ?   201.896  -90.0174     70.7273    -90.0174     53.9393     89.9826      
1 1 1 10 24 22 o 0 14.9   8.7   ?    ?   196.903  -155.972     54.6381    -155.972     62.3705     24.0279      
1 1 1 10 24 23 o 0 -1.1   6.6   ?    ?   128.312  13.9989      17.3885    -166.001     92.8109     -166.001     
1 1 1 10 24 24 o 0 -2.2   7     ?    ?   17.4081  85.2069      0.233664   85.2069      9.76791     -94.7931     
1 1 1 10 24 25 o 0 16.8   7.7   ?    ?   159.587  31.4361      93.29      31.4361      7.79258     31.4361      
1 1 1 10 24 26 o 0 67.9   11.4  ?    ?   395.168  174.806      232.848    174.806      42.9688     174.806      
1 1 1 10 24 27 o 0 81.3   13.2  ?    ?   428.395  149.673      249.733    149.673      46.5765     149.673      
1 1 1 10 25 1  o 0 15.8   6.2   ?    ?   106.719  -25.3587     31.0847    -25.3587     25.1703     154.641      
1 1 1 10 25 2  o 0 0.1    7     ?    ?   69.7143  -148.422     17.318     31.5779      54.0543     31.5779      
1 1 1 10 25 3  o 0 80.6   11.6  ?    ?   374.507  -56.6337     227.852    -56.6337     30.6831     -56.6337     
1 1 1 10 25 4  o 0 46.7   7.3   ?    ?   278.686  -153.956     159.123    -153.956     12.6169     -153.956     
1 1 1 10 25 5  o 0 9.6    4.9   ?    ?   242.593  -34.3214     27.437     145.679      154.713     145.679      
1 1 1 10 25 6  o 0 5.1    5.4   ?    ?   40.5083  79.2368      4.89447    -100.763     25.7994     -100.763     
1 1 1 10 25 7  o 0 29.3   6.2   ?    ?   110.112  -53.0226     112.221    -53.0226     55.5681     -53.0226     
1 1 1 10 25 8  o 0 1.4    4.9   ?    ?   121.752  -79.3065     32.9792    100.694      95.3995     100.694      
1 1 1 10 25 9  o 0 55.8   7.7   ?    ?   269.329  -168.235     199.019    -168.235     61.493      -168.235     
1 1 1 10 25 10 o 0 -0.1   4.2   ?    ?   82.1355  -2.31414     26.8345    177.686      68.5862     177.686      
1 1 1 10 25 11 o 0 3.3    4     ?    ?   48.0521  144.418      10.2034    -35.5825     35.6304     -35.5825     
1 1 1 10 25 12 o 0 21.8   5.1   ?    ?   198.599  -65.5351     98.9566    -65.5351     30.7521     114.465      
1 1 1 10 25 13 o 0 90.4   12.9  ?    ?   336.728  -97.9337     323.285    -97.9337     104.663     -97.9337     
1 1 1 10 25 14 o 0 40.9   10.1  ?    ?   135.034  160.284      225.262    160.284      136.397     160.284      
1 1 1 10 25 15 o 0 9.6    6.7   ?    ?   94.7129  40.2572      26.18      40.2572      35.7222     -139.743     
1 1 1 10 25 16 o 0 7.4    6.6   ?    ?   105.662  -84.4173     17.0574    -84.4173     51.6451     95.5827      
1 1 1 10 25 17 f 1 20.5   7.1   ?    ?   263.691  91.5616      58.75      91.5616      110.926     -88.4384     
1 1 1 10 25 18 o 0 45.8   8.8   ?    ?   230.489  -30.523      217.615    -30.523      73.3623     -30.523      
1 1 1 10 25 19 o 0 9.8    7     ?    ?   116.092  -104.353     39.1414    -104.353     32.875      75.6468      
1 1 1 10 25 20 o 0 1.4    7.6   ?    ?   107.519  -57.8882     2.63528    -57.8882     61.6183     122.112      
1 1 1 10 25 21 o 0 1.6    8.2   ?    ?   50.4598  -90.4063     7.73373    -90.4063     22.1247     89.5937      
1 1 1 10 25 22 o 0 17.3   8.8   ?    ?   163.384  176.435      86.4686    176.435      8.12638     -3.5649      
1 1 1 10 25 23 f 1 6.8    7.1   ?    ?   24.4033  26.1261      17.1174    26.1261      3.96256     26.1261      
1 1 1 10 25 24 o 0 8.5    7.6   ?    ?   111.503  -84.8887     49.0147    -84.8887     10.5586     95.1113      
1 1 1 10 25 25 o 0 3.5    7.1   ?    ?   48.1129  153.467      28.9948    153.467      5.92792     153.467      
1 1 1 10 26 0  o 0 178.8  27.4  ?    ?   460.529  180          327.887    180          92.7525     -180         
1 1 1 10 26 1  o 0 106.5  13.1  ?    ?   433.25   142.536      270.067    142.536      48.7457     142.536      
1 1 1 10 26 2  o 0 2.6    5.9   ?    ?   96.1006  -15.3082     18.9591    164.692      68.0468     164.692      
1 1 1 10 26 3  o 0 113.9  10.6  ?    ?   429.453  81.0891      291.533    81.0891      72.3188     81.0891      
1 1 1 10 26 4  o 0 28.3   5.6   ?    ?   373.94   162.413      48.0792    162.413      142.561     -17.5869     
1 1 1 10 26 5  o 0 200.6  16.6  ?    ?   597.531  -96.1548     371.125    -96.1548     53.0007     -96.1548     
1 1 1 10 26 6  o 0 2.7    6.5   ?    ?   121.066  -82.3551     18.8189    97.6449      83.124      97.6449      
1 1 1 10 26 7  o 0 13.1   8.5   ?    ?   110.786  -40.4462     39.1712    -40.4462     33.6476     139.554      
1 1 1 10 26 8  o 0 62.1   10.7  ?    ?   425.482  -13.2605     175.956    -13.2605     102.766     166.74       
1 1 1 10 26 9  o 0 14.5   5.3   ?    ?   221.976  -100.234     30.1595    -100.234     114.687     79.7661      
1 1 1 10 26 10 o 0 40.7   7     ?    ?   335.09   -176.159     139.469    -176.159     82.6131     3.84142      
1 1 1 10 26 11 f 1 1.3    4.3   ?    ?   43.7535  47.8329      12.0459    -132.167     40.8285     -132.167     
1 1 1 10 26 12 o 0 55.4   6.8   ?    ?   389.909  -166.965     170.883    -166.965     84.8957     13.0354      
1 1 1 10 26 13 o 0 27.1   7.5   ?    ?   284.964  129.905      93.9064    129.905      92.3454     -50.0955     
1 1 1 10 26 14 o 0 8.1    6.5   ?    ?   176.117  -15.1782     5.45824    -15.1782     108.923     164.822      
1 1 1 10 26 15 o 0 -3.2   6.7   ?    ?   48.9058  87.6422      10.9398    -92.3578     42.4856     -92.3578     
1 1 1 10 26 16 o 0 1.9    6.7   ?    ?   92.3652  -38.9685     2.29645    141.032      60.1539     141.032      
1 1 1 10 26 17 o 0 73.3   10.4  ?    ?   425.402  147.953      211.357    147.953      53.0344     -32.0472     
1 1 1 10 26 18 o 0 5.5    6.8   ?    ?   58.0539  64.985       15.0456    64.985       19.7482     -115.015     
1 1 1 10 26 19 o 0 24.8   8.5   ?    ?   57.2981  -16.9655     115.019    -16.9655     80.9812     -16.9655     
1 1 1 10 26 20 o 0 21.9   8     ?    ?   235.366  -178.593     88.6717    -178.593     48.2757     1.40713      
1 1 1 10 26 21 o 0 10     8.6   ?    ?   41.0433  -170.895     41.2504    -170.895     18.9351     -170.895     
1 1 1 10 26 22 o 0 35.8   7.9   ?    ?   209.548  -175.789     186.862    -175.789     74.1131     -175.789     
1 1 1 10 26 23 o 0 2      7.4   ?    ?   124.17   146.723      29.2393    146.723      30.7779     -33.2772     
1 1 1 10 27 0  o 0 104.4  17.3  ?    ?   246.79   -5.95116e-15 304.919    0            144.317     6.62266e-15  
1 1 1 10 27 1  o 0 16.5   7.2   ?    ?   197.115  10.3554      50.7467    10.3554      77.6256     -169.645     
1 1 1 10 27 2  o 0 -5.3   5.6   ?    ?   54.1055  -23.5221     20.7763    156.478      56.7273     156.478      
1 1 1 10 27 3  o 0 59     8.1   ?    ?   242.519  109.67       271.182    109.67       110.109     109.67       
1 1 1 10 27 4  o 0 14     5.9   ?    ?   129.087  16.5371      59.7633    16.5371      25.8838     -163.463     
1 1 1 10 27 5  o 0 118.4  12.4  ?    ?   518.134  -127.497     298.074    -127.497     45.1505     52.5033      
1 1 1 10 27 6  o 0 4.2    5.6   ?    ?   64.4416  -163.251     3.51262    16.7491      46.1087     16.7491      
1 1 1 10 27 7  o 0 2.1    5.5   ?    ?   74.2732  -112.878     12.7193    67.1218      61.6822     67.1218      
1 1 1 10 27 8  o 0 96.9   15.2  ?    ?   347.596  -30.1211     330.689    -30.1211     102.281     -30.1211     
1 1 1 10 27 9  o 0 17.8   6.6   ?    ?   138.39   -90.5983     92.2727    -90.5983     1.4762      -90.5983     
1 1 1 10 27 10 o 0 29.7   12.1  ?    ?   204.601  -97.7138     131.174    -97.7138     2.49272     82.2862      
1 1 1 10 27 11 o 0 0.4    4     ?    ?   38.9535  42.8711      11.8617    -137.129     37.1892     -137.129     
1 1 1 10 27 12 f 1 56.8   7.1   ?    ?   404.751  -80.2852     165.291    -80.2852     95.8183     99.7148      
1 1 1 10 27 13 o 0 212.8  21.7  ?    ?   618.508  -172.3       437.513    -172.3       48.4289     -172.3       
1 1 1 10 27 14 o 0 61.4   9.4   ?    ?   303.616  71.7246      241.268    71.7246      51.4691     71.7246      
1 1 1 10 27 15 o 0 3.4    7.2   ?    ?   19.7203  94.1605      4.04776    94.1605      7.85855     -85.8395     
1 1 1 10 27 16 o 0 10.9   7     ?    ?   106.505  10.3076      50.5983    10.3076      13.2375     -169.692     
1 1 1 10 27 17 o 0 -0.5   6.8   ?    ?   11.0462  122.837      0.767106   122.837      5.72773     -57.1633     
1 1 1 10 27 18 o 0 94.4   11.5  ?    ?   410.127  123.865      289.406    123.865      50.2627     123.865      
1 1 1 10 27 19 o 0 20.9   8.3   ?    ?   145.812  22.2119      125.004    22.2119      45.4719     22.2119      
1 1 1 10 27 20 o 0 11     8.9   ?    ?   198.625  134.887      40.2503    134.887      67.0766     -45.1127     
1 1 1 10 27 21 f 1 28.4   8.1   ?    ?   301.626  101.584      119.983    101.584      26.2065     -78.4164     
1 1 1 10 28 0  o 0 215.8  28.6  ?    ?   388.731  -7.98345e-14 428.178    0            174.481     1.1608e-13   
1 1 1 10 28 1  o 0 2.1    6.6   ?    ?   83.8193  7.29886      5.98526    -172.701     60.7427     -172.701     
1 1 1 10 28 2  o 0 5.9    5.7   ?    ?   25.0151  -75.8835     3.51292    -75.8835     12.8351     104.116      
1 1 1 10 28 3  o 0 47.1   7.5   ?    ?   211.442  122.926      234.255    122.926      96.1044     122.926      
1 1 1 10 28 4  o 0 35     7.9   ?    ?   130.57   163.544      202.622    163.544      117.381     163.544      
1 1 1 10 28 5  o 0 44.1   8.3   ?    ?   302.918  -112.095     169.902    -112.095     27.5786     67.9047      
1 1 1 10 28 6  o 0 17.8   5.9   ?    ?   21.6264  69.939       30.9274    69.939       16.8562     69.939       
1 1 1 10 28 7  o 0 6.1    5.7   ?    ?   114.545  -121.127     4.03827    -121.127     70.303      58.8726      
1 1 1 10 28 8  o 0 23.8   11.4  ?    ?   199.607  124.979      103.18     124.979      23.1639     -55.0208     
1 1 1 10 28 9  f 1 19.9   6.5   ?    ?   195.205  56.3626      95.2744    56.3626      27.522      -123.637     
1 1 1 10 28 10 o 0 15.3   5.4   ?    ?   114.272  56.3421      84.1662    56.3421      12.3935     56.3421      
1 1 1 10 28 11 o 0 -2.6   4.4   ?    ?   131.799  177.92       46.6353    -2.08035     129.032     -2.08035     
1 1 1 10 28 12 o 0 46.5   7.3   ?    ?   277.023  109.771      202.752    109.771      35.2154     109.771      
1 1 1 10 28 13 o 0 164    16.9  ?    ?   468.735  -103.341     429.983    -103.341     148.114     -103.341     
1 1 1 10 28 14 o 0 7.2    7.5   ?    ?   28.2639  -159.947     16.9785    -159.947     0.278842    -159.947     
1 1 1 10 28 15 o 0 2.1    6.9   ?    ?   81.3102  81.4727      9.91347    81.4727      37.8061     -98.5273     
1 1 1 10 28 16 o 0 -5.2   7.8   ?    ?   23.1343  -18.8162     0.689055   161.184      14.168      161.184      
1 1 1 10 28 17 o 0 19.3   7.3   ?    ?   41.4115  -173.236     87.9961    -173.236     65.4021     -173.236     
1 1 1 10 28 18 o 0 25.9   8.5   ?    ?   145.901  -112.711     165.86     -112.711     94.1596     -112.711     
1 1 1 10 28 19 o 0 -13    8.6   ?    ?   35.7167  28.3962      4.31514    28.3962      13.0828     -151.604     
1 1 1 10 29 1  o 0 0      5.7   ?    ?   77.8549  122.444      11.8207    -57.5555     60.6001     -57.5555     
1 1 1 10 29 2  o 0 11.9   5.7   ?    ?   140.924  -2.47335     51.5603    -2.47335     36.7871     177.527      
1 1 1 10 29 3  o 0 14     6.8   ?    ?   130.129  35.2875      68.3827    35.2875      13.1957     -144.712     
1 1 1 10 29 4  o 0 12.8   5.9   ?    ?   234.708  13.1313      22.6929    13.1313      124.355     -166.869     
1 1 1 10 29 5  o 0 3.8    5.5   ?    ?   63.9039  8.92065      1.44747    8.92065      38.541      -171.079     
1 1 1 10 29 6  o 0 5.4    5.6   ?    ?   158.951  155.382      0.299425   -24.6182     96.8468     -24.6182     
1 1 1 10 29 7  o 0 11.3   6.3   ?    ?   69.9832  115.07       47.2885    115.07       4.88017     115.07       
1 1 1 10 29 8  o 0 123.1  17.5  ?    ?   467.817  145.463      327.517    145.463      44.8531     145.463      
1 1 1 10 29 10 o 0 12.8   5.2   ?    ?   156.036  3.80336      66.9223    3.80336      25.5972     -176.197     
1 1 1 10 29 11 o 0 3.4    4.6   ?    ?   60.4867  127.266      4.12003    127.266      31.5823     -52.7335     
1 1 1 10 29 12 o 0 -4.6   3.8   ?    ?   90.0794  -115.222     32.5026    64.7781      85.403      64.7781      
1 1 1 10 29 13 o 0 0.9    8.4   ?    ?   34.5821  -70.3845     13.308     -70.3845     5.75101     109.616      
1 1 1 10 29 14 o 0 13.1   8.4   ?    ?   106.842  67.4475      78.7543    67.4475      20.2315     67.4475      
1 1 1 10 29 15 o 0 2.4    7.2   ?    ?   40.3144  -31.3719     13.2656    -31.3719     8.6698      148.628      
1 1 1 10 29 16 o 0 53.8   9.3   ?    ?   281.656  18.5494      243.13     18.5494      104.941     18.5494      
1 1 1 10 30 1  o 0 15.3   10.1  ?    ?   52.2616  -55.8677     66.0751    -55.8677     35.2371     -55.8677     
1 1 1 10 30 2  f 1 13.6   7.1   ?    ?   84.6133  73.3495      74.9125    73.3495      25.0731     73.3495      
1 1 1 10 30 3  o 0 40.5   8.4   ?    ?   180.815  -78.1499     220.784    -78.1499     113.985     -78.1499     
1 1 1 10 30 4  f 1 62.1   8.3   ?    ?   506.054  44.2326      138.668    44.2326      159.34      -135.767     
1 1 1 10 30 5  o 0 127.3  14.6  ?    ?   389.435  49.1052      389.658    49.1052      159.968     49.1052      
1 1 1 10 30 6  o 0 43.6   7.3   ?    ?   286.273  -117.608     185.917    -117.608     17.3435     -117.608     
1 1 1 10 30 7  o 0 17.3   8.4   ?    ?   151.185  7.04027      90.5817    7.04027      1.74999     7.04027      
1 1 1 10 30 8  o 0 101.1  14.9  ?    ?   402.562  -72.6185     317.332    -72.6185     94.7207     -72.6185     
1 1 1 10 30 10 o 0 9.3    5.7   ?    ?   91.48    172.855      53.6042    172.855      3.3793      172.855      
1 1 1 10 30 11 o 0 3.1    5     ?    ?   146.939  24.5293      0.201186   -155.471     80.5186     -155.471     
1 1 1 10 30 12 o 0 17.1   4.7   ?    ?   182.048  127.775      116.734    127.775      26.8053     127.775      
1 1 1 10 30 13 o 0 89.1   13.4  ?    ?   384.983  -103.486     302.503    -103.486     113.374     -103.486     
1 1 1 10 31 1  o 0 30.1   10.4  ?    ?   343.144  178.735      77.9909    178.735      109.052     -1.26469     
1 1 1 10 31 2  o 0 8.8    6.7   ?    ?   76.1386  59.7653      48.2205    59.7653      6.67667     59.7653      
1 1 1 10 31 3  o 0 14.3   6.7   ?    ?   197.94   -124.762     63.8237    -124.762     44.221      55.2378      
1 1 1 10 31 4  o 0 22.7   7.4   ?    ?   341.306  3.17674      50.9439    3.17674      135.312     -176.823     
1 1 1 10 31 5  o 0 21.4   7.3   ?    ?   216.549  12.8727      102.361    12.8727      15.7145     -167.127     
1 1 1 10 31 6  o 0 0.8    6.8   ?    ?   73.4581  -129.446     25.4451    -129.446     10.881      50.5539      
1 1 1 10 31 7  o 0 -4.4   6.6   ?    ?   74.605   60.3699      8.14886    60.3699      28.6699     -119.63      
1 1 1 10 31 8  o 0 23.9   7.2   ?    ?   279.188  15.9932      104.817    15.9932      32.6089     -164.007     
1 1 1 10 31 9  o 0 9.9    8.8   ?    ?   159.858  -178.742     61.8708    -178.742     16.5676     1.25768      
1 1 1 11 0  1  o 0 -0.1   1.3   ?    ?   4.94341  90           0.0439496  90           3.64469     -90          
1 1 1 11 0  2  o 0 532.4  48.9  ?    ?   379.166  180          746.14     180          465.617     180          
1 1 1 11 0  3  o 0 133.9  12.5  ?    ?   464.743  90           371.934    90           31.0671     90           
1 1 1 11 0  4  o 0 48     4.8   ?    ?   34.1018  -6.64893e-14 38.5322    0            12.4479     1.39327e-13  
1 1 1 11 0  5  o 0 1.2    1.7   ?    ?   39.8577  90           0.882088   90           29.3503     -90          
1 1 1 11 0  6  f 1 1181.2 107.9 ?    ?   1599.32  -4.46997e-15 1145.52    0            54.7482     180          
1 1 1 11 0  7  o 0 390.3  51.2  ?    ?   532.809  -90          654.363    -90          256.532     -90          
1 1 1 11 0  8  o 0 240.5  25.8  ?    ?   746.833  180          514.546    180          39.0326     -1.92214e-14 
1 1 1 11 0  9  o 0 16.3   3.4   ?    ?   39.0421  -90          14.0703    -90          14.6683     90           
1 1 1 11 0  10 o 0 146    19.6  ?    ?   384.689  180          393.294    180          112.015     -180         
1 1 1 11 0  11 o 0 70.7   8.8   ?    ?   587.031  90           273.188    90           153.261     -90          
1 1 1 11 0  12 o 0 39.2   4.9   ?    ?   153.405  -2.22988e-14 117.485    0            6.75401     3.65585e-13  
1 1 1 11 0  13 o 0 1.2    3.4   ?    ?   143.723  90           4.47417    90           93.3761     -90          
1 1 1 11 0  14 o 0 172.1  19.1  ?    ?   361.9    1.16426e-14  395.157    0            150.355     -1.8956e-14  
1 1 1 11 0  15 o 0 1409.7 149.1 ?    ?   1719.72  90           1111.51    90           44.0702     -90          
1 1 1 11 0  16 o 0 8      4.8   ?    ?   59.7517  180          7.14426    180          32.7305     -3.93211e-14 
1 1 1 11 0  17 o 0 15.5   5.1   ?    ?   172.818  -90          47.2778    -90          67.2219     90           
1 1 1 11 0  18 o 0 129.3  13.5  ?    ?   483.85   180          334.072    180          12.5399     180          
1 1 1 11 0  19 o 0 305    29.3  ?    ?   711.495  -90          472.269    -90          37.3197     -90          
1 1 1 11 0  20 o 0 472.1  44.6  ?    ?   761.353  0            581.994    0            120.511     0            
1 1 1 11 0  21 o 0 36.9   7.8   ?    ?   105.001  -90          66.1788    -90          2.91374     -90          
1 1 1 11 0  22 o 0 9.1    8.5   ?    ?   12.705   7.72073e-14  1.46625    0            6.11565     -180         
1 1 1 11 0  23 o 0 763.3  82    ?    ?   1584.27  90           713.695    90           220.144     -90          
1 1 1 11 0  24 o 0 830.7  89.7  ?    ?   988.741  180          736.214    180          159.665     180          
1 1 1 11 0  25 o 0 153.5  18.6  ?    ?   595.68   -90          314.812    -90          32.5499     90           
1 1 1 11 0  26 o 0 14.3   9.2   ?    ?   232.708  180          44.1463    180          98.3986     -1.75199e-15 
1 1 1 11 0  27 o 0 47.4   15.3  ?    ?   341.156  -90          165.027    -90          43.4317     90           
1 1 1 11 0  28 f 1 41.5   16.5  ?    ?   64.3552  180          48.4866    180          9.78714     -180         
1 1 1 11 0  29 f 1 59.4   13.4  ?    ?   252.77   90           185.598    90           38.7423     90           
1 1 1 11 0  30 o 0 8.1    10.9  ?    ?   30.686   2.90982e-14  5.16367    0            11.5072     -180         
1 1 1 11 0  31 o 0 161.9  21.2  ?    ?   620.533  90           314.459    90           5.78053     -90          
1 1 1 11 0  32 o 0 1.9    11.4  ?    ?   39.587   -3.6943e-14  4.75696    0            15.3443     180          
1 1 1 11 0  34 o 0 2.1    15.9  ?    ?   53.4591  -180         13.1494    180          20.4247     4.09457e-14  
1 1 1 11 0  35 o 0 7.4    11.2  ?    ?   77.7593  -90          23.3147    -90          25.5977     90           
1 1 1 11 0  36 o 0 88     13.8  ?    ?   432.554  180          261.043    180          6.49183     1.29644e-13  
1 1 1 11 0  37 o 0 10     9.8   ?    ?   60.0943  90           23.9539    90           11.6943     -90          
1 1 1 11 0  38 f 1 19.4   10.5  ?    ?   166.129  180          87.0807    180          6.56146     9.31226e-14  
1 1 1 11 0  39 o 0 -2.9   9.8   ?    ?   90.371   90           16.2282    90           33.2041     -90          
1 1 1 11 0  40 o 0 13.3   12.8  ?    ?   201.962  -180         66.563     180          35.4302     2.12188e-14  
1 1 1 11 1  0  o 0 5.5    1.4   ?    ?   112.986  -90          12.4772    -90          71.7324     90           
1 1 1 11 1  1  o 0 122.7  8     ?    ?   527.503  -147.764     282.504    -147.764     107.383     32.236       
1 1 1 11 1  2  o 0 769.2  49.8  ?    ?   974.048  164.474      1038.2     164.474      324.485     164.474      
1 1 1 11 1  3  o 0 171.1  11.2  ?    ?   517.24   -69.0126     412.103    -69.0126     36.4025     -69.0126     
1 1 1 11 1  4  f 1 36.1   2.7   ?    ?   211.93   -37.9537     108.729    -37.9537     51.3965     142.046      
1 1 1 11 1  5  o 0 295.1  19.2  ?    ?   703.491  -83.6755     597.398    -83.6755     68.9039     -83.6755     
1 1 1 11 1  6  o 0 31.9   2.6   ?    ?   218.389  151.833      81.9175    151.833      80.8543     -28.1673     
1 1 1 11 1  7  o 0 296.7  24.5  ?    ?   574.254  149.549      675.882    149.549      251.061     149.549      
1 1 1 11 1  8  o 0 15.2   2.3   ?    ?   50.9677  -64.9794     2.19141    115.021      39.6311     115.021      
1 1 1 11 1  10 o 0 10.9   2.7   ?    ?   170.267  -19.4081     45.2398    160.592      168.689     160.592      
1 1 1 11 1  11 o 0 125.5  11    ?    ?   772.744  -115.712     139.411    -115.712     417.406     64.2878      
1 1 1 11 1  12 o 0 55.7   4.9   ?    ?   224.228  50.656       198.168    50.656       37.5734     50.656       
1 1 1 11 1  13 o 0 52.3   5.2   ?    ?   410.402  88.5421      105.222    88.5421      172.112     -91.4579     
1 1 1 11 1  14 o 0 35.1   3.9   ?    ?   513.48   -150.296     32.0518    29.704       376.919     29.704       
1 1 1 11 1  15 o 0 52.9   5.3   ?    ?   409.451  -118.633     106.986    -118.633     166.283     61.3665      
1 1 1 11 1  16 f 1 780.9  54.4  ?    ?   1421.35  6.75763      700.504    6.75763      239.484     -173.242     
1 1 1 11 1  17 o 0 164.7  12.3  ?    ?   618.852  -77.8608     316.882    -77.8608     90.6236     102.139      
1 1 1 11 1  18 o 0 256.7  19.9  ?    ?   702.638  -62.0242     445.217    -62.0242     18.9914     117.976      
1 1 1 11 1  19 o 0 767.4  53.6  ?    ?   1502.73  -41.1955     564.028    -41.1955     349.555     138.804      
1 1 1 11 1  20 o 0 1183.9 82.2  ?    ?   1546.58  108.259      885.426    108.259      47.1274     -71.7407     
1 1 1 11 1  21 o 0 316.3  21.5  ?    ?   759.895  100.186      462.963    100.186      7.36383     100.186      
1 1 1 11 1  22 f 1 27.7   6.5   ?    ?   115.012  109.877      40.2324    109.877      27.9089     -70.123      
1 1 1 11 1  23 o 0 262.6  22.1  ?    ?   838.182  159.189      328.59     159.189      163.314     -20.8106     
1 1 1 11 1  24 o 0 641.4  50    ?    ?   1035.55  -65.2859     678.587    -65.2859     77.2191     -65.2859     
1 1 1 11 1  25 o 0 186.9  17.7  ?    ?   525.372  75.7104      359.141    75.7104      53.9581     75.7104      
1 1 1 11 1  26 o 0 26.4   8     ?    ?   145.663  -102.055     51.2583    -102.055     37.6457     77.9446      
1 1 1 11 1  27 o 0 17.2   7.3   ?    ?   256.207  34.6868      13.0072    -145.313     169.031     -145.313     
1 1 1 11 1  28 o 0 108.6  12.2  ?    ?   453.225  145.396      236.58     145.396      35.8063     -34.6043     
1 1 1 11 1  29 o 0 235.7  20.8  ?    ?   471.298  179.884      484.96     179.884      211.239     179.884      
1 1 1 11 1  30 o 0 36.3   9.7   ?    ?   205.538  13.6364      126.868    13.6364      15.5079     13.6364      
1 1 1 11 1  31 o 0 84.6   12.4  ?    ?   292.509  146.765      268.017    146.765      117.44      146.765      
1 1 1 11 1  32 o 0 128.3  16.2  ?    ?   631.706  -22.6522     213.176    -22.6522     106.847     157.348      
1 1 1 11 1  33 o 0 240.2  21.7  ?    ?   463.599  46.5459      492.436    46.5459      264.675     46.5459      
1 1 1 11 1  34 o 0 70.5   10.3  ?    ?   319.809  -175.266     258.591    -175.266     58.1289     -175.266     
1 1 1 11 1  35 o 0 12     8.9   ?    ?   13.951   -104.525     8.92213    -104.525     0.161981    -104.525     
1 1 1 11 1  36 o 0 12.3   7.8   ?    ?   105.447  -163.047     47.6934    -163.047     17.4227     16.9534      
1 1 1 11 1  37 o 0 128.3  11.9  ?    ?   547.315  85.4985      287.598    85.4985      36.6138     -94.5015     
1 1 1 11 1  38 o 0 37.4   7.8   ?    ?   310.513  16.4568      132.187    16.4568      43.0725     -163.543     
1 1 1 11 1  39 o 0 -3.2   7.4   ?    ?   84.2132  -18.1233     3.76608    161.877      49.7799     161.877      
1 1 1 11 1  40 o 0 12     7.4   ?    ?   209.067  77.0666      38.0244    77.0666      67.4581     -102.933     
1 1 1 11 2  0  o 0 1.2    1.3   ?    ?   271.546  -90          4.84508    -90          195.578     90           
1 1 1 11 2  1  o 0 146.2  9.6   ?    ?   544.715  -164.655     334.065    -164.655     64.6091     15.3455      
1 1 1 11 2  2  o 0 250.8  16.5  ?    ?   520.06   102.727      585.287    102.727      207.945     102.727      
1 1 1 11 2  3  o 0 42.6   3.1   ?    ?   324.108  -147.319     105.486    -147.319     122.283     32.6813      
1 1 1 11 2  4  o 0 87.9   5.9   ?    ?   416.297  67.2204      260.106    67.2204      52.2199     -112.78      
1 1 1 11 2  5  f 1 141.4  10    ?    ?   496.225  -178.001     378.505    -178.001     10.1774     -178.001     
1 1 1 11 2  6  f 1 112.2  8.1   ?    ?   483.888  118.631      296.865    118.631      59.5494     -61.3689     
1 1 1 11 2  7  o 0 369.5  25.9  ?    ?   676.289  -37.3759     733.884    -37.3759     238.075     -37.3759     
1 1 1 11 2  9  o 0 43.1   4.4   ?    ?   293.403  -55.6437     122.831    -55.6437     89.4455     124.356      
1 1 1 11 2  10 f 1 503    41.5  ?    ?   1186.35  99.0515      571.732    99.0515      279.166     -80.9485     
1 1 1 11 2  11 o 0 263.3  24.7  ?    ?   415.841  109.864      686.588    109.864      389.319     109.864      
1 1 1 11 2  12 o 0 42.4   4.2   ?    ?   353.908  -79.7097     92.3112    -79.7097     159.226     100.29       
1 1 1 11 2  13 o 0 21.9   2.8   ?    ?   176.848  -76.6802     24.1362    -76.6802     94.492      103.32       
1 1 1 11 2  14 o 0 75.6   6.1   ?    ?   437.638  108.051      178.034    108.051      113.817     -71.949      
1 1 1 11 2  15 o 0 506.7  38.4  ?    ?   968.317  -86.0032     670.374    -86.0032     28.5056     -86.0032     
1 1 1 11 2  16 o 0 1018   70.6  ?    ?   1192.62  -149.499     1071.46    -149.499     285.859     -149.499     
1 1 1 11 2  17 o 0 39.1   4.6   ?    ?   240.796  103.891      103.846    103.891      55.4013     -76.1091     
1 1 1 11 2  18 o 0 62.9   6     ?    ?   545.797  -98.4988     64.5249    -98.4988     293.91      81.5012      
1 1 1 11 2  19 o 0 388.9  27.7  ?    ?   1077.38  86.6121      388.376    86.6121      262.875     -93.3879     
1 1 1 11 2  20 f 1 187.8  14.4  ?    ?   383.473  -48.8598     448.918    -48.8598     219.545     -48.8598     
1 1 1 11 2  21 o 0 37.8   6.4   ?    ?   231.02   -33.5907     89.2093    -33.5907     48.579      146.409      
1 1 1 11 2  22 o 0 34.2   6.3   ?    ?   190.692  -99.9387     75.2767    -99.9387     37.4313     80.0613      
1 1 1 11 2  23 o 0 896.8  68    ?    ?   1335.34  -123.194     744.506    -123.194     35.46       56.8061      
1 1 1 11 2  24 f 1 1238   93.4  ?    ?   1597.63  25.0195      850.087    25.0195      71.1401     -154.98      
1 1 1 11 2  25 o 0 784.8  59.9  ?    ?   1136.91  25.5876      737.745    25.5876      80.1487     25.5876      
1 1 1 11 2  26 o 0 12.4   6.7   ?    ?   139.847  65.9728      18.8898    -114.027     103.898     -114.027     
1 1 1 11 2  27 o 0 90.6   10.5  ?    ?   297.181  -56.0978     267.123    -56.0978     86.843      -56.0978     
1 1 1 11 2  28 o 0 45.3   9.1   ?    ?   132.575  174.216      135.13     174.216      55.7433     174.216      
1 1 1 11 2  29 o 0 32.3   9.5   ?    ?   253.605  108.709      84.8281    108.709      61.9538     -71.2906     
1 1 1 11 2  30 o 0 57.7   11    ?    ?   225.151  -82.3339     203.899    -82.3339     82.3094     -82.3339     
1 1 1 11 2  31 o 0 148.2  14.5  ?    ?   454.985  -86.8183     345.864    -86.8183     112.365     -86.8183     
1 1 1 11 2  32 o 0 2.1    9.3   ?    ?   56.387   -33.1459     6.69846    146.854      35.1819     146.854      
1 1 1 11 2  33 o 0 109    12.5  ?    ?   595.648  135.943      191.751    135.943      100.092     -44.0572     
1 1 1 11 2  34 o 0 11.8   8.5   ?    ?   96.7123  126.11       28.7441    126.11       31.7233     -53.8901     
1 1 1 11 2  35 o 0 15.1   7.6   ?    ?   233.776  96.2035      30.7545    96.2035      115.691     -83.7965     
1 1 1 11 2  36 o 0 152.6  14.5  ?    ?   576.753  -88.26       322.476    -88.26       32.8975     91.74        
1 1 1 11 2  37 o 0 119.4  14    ?    ?   469.538  -108.801     304.426    -108.801     26.8571     -108.801     
1 1 1 11 2  38 o 0 43.1   9.6   ?    ?   210.726  4.21586      199.986    4.21586      81.2742     4.21586      
1 1 1 11 2  39 o 0 14.6   7.3   ?    ?   130.698  -28.2985     73.5267    -28.2985     2.23875     -28.2985     
1 1 1 11 2  40 o 0 26.8   7.6   ?    ?   232.39   -46.5141     136.131    -46.5141     29.8116     -46.5141     
1 1 1 11 3  0  o 0 6.6    1.5   ?    ?   287.314  90           35.639     90           174.338     -90          
1 1 1 11 3  1  o 0 641.1  41.4  ?    ?   1280.8   2.47695      734.133    2.47695      242.312     -177.523     
1 1 1 11 3  2  o 0 208.4  13.7  ?    ?   475.489  -178.36      570.314    -178.36      210.894     -178.36      
1 1 1 11 3  3  o 0 400.7  27.8  ?    ?   966.515  134.227      597.38     134.227      127.026     -45.7727     
1 1 1 11 3  5  o 0 163.5  10.7  ?    ?   576.064  127.311      382.149    127.311      42.69       -52.6889     
1 1 1 11 3  6  o 0 598.5  41.5  ?    ?   918.684  -121.855     903.889    -121.855     231.412     -121.855     
1 1 1 11 3  7  o 0 366.1  25.5  ?    ?   762.525  -9.62364     663.471    -9.62364     109.199     -9.62364     
1 1 1 11 3  8  o 0 17.2   2.5   ?    ?   277.653  88.5585      33.257     -91.4415     233.76      -91.4415     
1 1 1 11 3  9  o 0 35.6   4.2   ?    ?   176.128  1.15036      99.5396    1.15036      26.8649     -178.85      
1 1 1 11 3  10 o 0 143.8  13.8  ?    ?   547.533  164.365      335.615    164.365      55.0383     -15.6352     
1 1 1 11 3  11 o 0 34.3   4.2   ?    ?   293.585  37.7883      73.4271    37.7883      134.856     -142.212     
1 1 1 11 3  12 o 0 349.2  24.5  ?    ?   991.14   -47.4969     437.858    -47.4969     222.854     132.503      
1 1 1 11 3  13 o 0 60.6   5     ?    ?   236.796  -145.553     204.623    -145.553     46.9141     -145.553     
1 1 1 11 3  14 o 0 249.4  16.7  ?    ?   726.333  -43.237      427.926    -43.237      53.1044     136.763      
1 1 1 11 3  15 o 0 1111.4 72.1  ?    ?   1151.95  175.186      1180.02    175.186      421.534     175.186      
1 1 1 11 3  16 f 1 905.7  62.9  ?    ?   1083.29  130.248      1032.36    130.248      325.211     130.248      
1 1 1 11 3  17 o 0 120.9  10.1  ?    ?   555.345  84.3917      238.409    84.3917      126.563     -95.6083     
1 1 1 11 3  18 o 0 283.3  20.4  ?    ?   675.105  79.0609      503.643    79.0609      62.9691     79.0609      
1 1 1 11 3  19 o 0 283.1  20.4  ?    ?   709.418  124.328      444.069    124.328      17.7437     124.328      
1 1 1 11 3  20 o 0 857.1  59.7  ?    ?   1144     -84.0131     842.848    -84.0131     158.581     -84.0131     
1 1 1 11 3  21 o 0 109.7  11.3  ?    ?   473.333  -60.9634     228.361    -60.9634     52.4187     119.037      
1 1 1 11 3  22 f 1 39.8   6.7   ?    ?   356.735  136.815      60.6701    136.815      148.536     -43.1851     
1 1 1 11 3  23 o 0 178.2  17.8  ?    ?   675.985  27.8237      267.648    27.8237      125.206     -152.176     
1 1 1 11 3  24 o 0 393.3  31.5  ?    ?   953.335  93.3097      442.062    93.3097      106.403     -86.6903     
1 1 1 11 3  25 o 0 135.5  13.9  ?    ?   570.273  -75.6294     230.335    -75.6294     97.9811     104.371      
1 1 1 11 3  26 o 0 97.7   10.3  ?    ?   443.858  21.4293      216.657    21.4293      51.9442     -158.571     
1 1 1 11 3  27 o 0 132.1  14.1  ?    ?   654.387  -11.6121     183.015    -11.6121     212.26      168.388      
1 1 1 11 3  28 f 1 139.6  13.1  ?    ?   329.178  -35.5917     377.976    -35.5917     186.114     -35.5917     
1 1 1 11 3  29 o 0 67.7   9.6   ?    ?   321.6    -163.133     191.813    -163.133     6.40777     -163.133     
1 1 1 11 3  30 o 0 39.9   10.1  ?    ?   304.173  -155.209     111.038    -155.209     52.61       24.7909      
1 1 1 11 3  31 f 1 158.3  15.8  ?    ?   608.935  -138.118     292.156    -138.118     18.4282     41.8821      
1 1 1 11 3  32 o 0 53.8   10.9  ?    ?   388.632  -55.9692     136.376    -55.9692     56.5525     124.031      
1 1 1 11 3  33 o 0 31.2   10.6  ?    ?   255.881  69.2096      93.8406    69.2096      31.1214     -110.79      
1 1 1 11 3  34 o 0 38.1   12.1  ?    ?   82.3506  109.976      156.845    109.976      105.517     109.976      
1 1 1 11 3  35 o 0 3.1    7.3   ?    ?   164.735  -35.7013     19.6894    144.299      122.58      144.299      
1 1 1 11 3  36 o 0 -6.5   7.9   ?    ?   72.861   86.1689      15.961     -93.8311     60.729      -93.8311     
1 1 1 11 3  37 o 0 19.1   7.7   ?    ?   178.772  -168.374     85.5318    -168.374     19.868      11.6262      
1 1 1 11 3  38 f 1 47.4   8.4   ?    ?   442.667  -169.236     104.752    -169.236     143.355     10.7645      
1 1 1 11 3  39 o 0 -0.1   7.5   ?    ?   72.268   -179.759     5.01112    -179.759     34.3127     0.240829     
1 1 1 11 3  40 o 0 10.7   7.9   ?    ?   80.3377  -99.5905     72.7189    -99.5905     36.0468     -99.5905     
1 1 1 11 4  0  o 0 4.2    1.5   ?    ?   216.129  90           18.2334    90           146.306     -90          
1 1 1 11 4  1  o 0 51.5   3.8   ?    ?   276.706  117.935      177.358    117.935      31.5971     -62.0652     
1 1 1 11 4  2  o 0 596.7  38.7  ?    ?   981.576  -45.7054     879.338    -45.7054     144.203     -45.7054     
1 1 1 11 4  3  o 0 405.2  26.3  ?    ?   1027.99  -11.7087     555.852    -11.7087     207.745     168.291      
1 1 1 11 4  4  o 0 75.2   5.1   ?    ?   488.549  -147.99      164.815    -147.99      195.195     32.0101      
1 1 1 11 4  5  o 0 84.5   6.6   ?    ?   388.669  -5.5347      256.59     -5.5347      27.6421     174.465      
1 1 1 11 4  6  o 0 260.2  19.7  ?    ?   809.97   -80.4664     435.157    -80.4664     152.916     99.5336      
1 1 1 11 4  7  o 0 450.7  41.5  ?    ?   1061.1   83.4537      578.831    83.4537      186.373     -96.5463     
1 1 1 11 4  8  o 0 48.4   4.6   ?    ?   520.443  77.5343      28.9728    77.5343      343.968     -102.466     
1 1 1 11 4  9  o 0 155.5  12    ?    ?   529.024  49.9916      378.183    49.9916      1.35379     49.9916      
1 1 1 11 4  10 o 0 271.5  22.7  ?    ?   824.807  61.2564      436.432    61.2565      147.753     -118.744     
1 1 1 11 4  11 o 0 127.9  11.1  ?    ?   703.447  -78.5699     188.965    -78.5699     306.536     101.43       
1 1 1 11 4  12 o 0 93.7   6.7   ?    ?   514.465  -147.624     193.54     -147.624     148.605     32.3764      
1 1 1 11 4  13 o 0 132.6  9.1   ?    ?   426.901  80.7648      350.587    80.7648      68.2016     80.7648      
1 1 1 11 4  14 o 0 33.9   3.6   ?    ?   191.713  -66.8346     86.4312    -66.8346     39.6902     113.165      
1 1 1 11 4  15 o 0 538.9  35.3  ?    ?   908.568  -50.2855     742.635    -50.2855     148.288     -50.2855     
1 1 1 11 4  16 f 1 94.7   7.3   ?    ?   189.811  -10.6195     319.104    -10.6195     195.987     -10.6195     
1 1 1 11 4  17 o 0 82.6   7.1   ?    ?   278.601  175.073      263.332    175.073      81.3705     175.073      
1 1 1 11 4  18 f 1 136.3  11.4  ?    ?   362.862  -110.591     378.426    -110.591     143.606     -110.591     
1 1 1 11 4  19 o 0 746.7  61.6  ?    ?   1251.77  -175.013     678.64     -175.013     69.1809     4.98731      
1 1 1 11 4  20 o 0 1525   105.7 ?    ?   1611.75  94.5893      1067.28    94.5893      108.762     94.5893      
1 1 1 11 4  21 o 0 111.1  10.8  ?    ?   316.728  57.809       301.191    57.809       114.359     57.809       
1 1 1 11 4  22 o 0 14.4   5.8   ?    ?   339.72   164.644      72.0852    -15.3561     270.742     -15.3561     
1 1 1 11 4  23 o 0 131.3  14.5  ?    ?   359.608  36.9112      327.946    36.9112      120.06      36.9112      
1 1 1 11 4  24 f 1 345.1  30.4  ?    ?   560.512  -91.7225     588.386    -91.7225     268.394     -91.7225     
1 1 1 11 4  25 o 0 346.9  30.6  ?    ?   690.689  -116.563     512.888    -116.563     117.223     -116.563     
1 1 1 11 4  26 o 0 -4.2   7.7   ?    ?   122.129  -131.355     53.3977    48.6446      126.948     48.6446      
1 1 1 11 4  27 o 0 178.1  15    ?    ?   597.851  -1.87618     310.887    -1.87618     48.5526     178.124      
1 1 1 11 4  28 o 0 202.5  16.4  ?    ?   172.475  -81.1958     552.049    -81.1958     451.718     -81.1958     
1 1 1 11 4  29 o 0 101.8  12    ?    ?   310.597  172.638      290.432    172.638      112.152     172.638      
1 1 1 11 4  30 o 0 63.8   10    ?    ?   394.366  65.7485      157.221    65.7485      54.0548     -114.251     
1 1 1 11 4  31 o 0 11.5   8.4   ?    ?   45.043   -98.2771     6.78066    -98.2771     16.1585     81.7229      
1 1 1 11 4  32 o 0 25.1   8.2   ?    ?   333.358  3.05206      42.1738    3.05206      122.664     -176.948     
1 1 1 11 4  33 o 0 44.2   10.3  ?    ?   312.972  37.4934      128.313    37.4934      30.9797     -142.507     
1 1 1 11 4  34 o 0 21.8   8     ?    ?   164.13   -30.3544     92.1599    -30.3544     9.76549     149.646      
1 1 1 11 4  35 o 0 4.6    7.2   ?    ?   124.957  121.56       2.92517    -58.4395     80.6962     -58.4395     
1 1 1 11 4  36 o 0 7.2    9.9   ?    ?   240.187  26.4546      12.9323    -153.545     160.01      -153.545     
1 1 1 11 4  37 o 0 -4     9.3   ?    ?   98.7729  -109.843     5.39558    70.1573      63.44       70.1573      
1 1 1 11 4  38 o 0 2.1    6.7   ?    ?   104.558  168.166      6.45303    168.166      51.454      -11.8344     
1 1 1 11 4  39 o 0 -1.4   7     ?    ?   76.9939  -161.943     6.42698    -161.943     32.9924     18.057       
1 1 1 11 4  40 o 0 23.4   7.2   ?    ?   114.308  15.8664      152.024    15.8664      99.9957     15.8664      
1 1 1 11 5  0  o 0 25.4   3     ?    ?   357.804  -90          144.429    -90          125.408     90           
1 1 1 11 5  1  o 0 158.6  11.2  ?    ?   374.244  -73.6291     500.856    -73.6291     220.803     -73.6291     
1 1 1 11 5  2  o 0 419.9  31.6  ?    ?   881.231  -23.6414     681.566    -23.6414     27.3288     -23.6414     
1 1 1 11 5  4  o 0 29.3   3.3   ?    ?   253.586  -9.4783      57.7452    -9.4783      127.62      170.522      
1 1 1 11 5  6  o 0 100.4  7.9   ?    ?   300.3    81.2264      349.669    81.2264      133.27      81.2264      
1 1 1 11 5  7  o 0 632.3  51.9  ?    ?   963.285  157.799      890.757    157.799      201.129     157.799      
1 1 1 11 5  8  o 0 48.6   4.6   ?    ?   390.729  -21.8122     104.246    -21.8122     173.765     158.188      
1 1 1 11 5  9  o 0 68.4   6.3   ?    ?   126.654  174.746      218.45     174.746      128.857     174.746      
1 1 1 11 5  10 o 0 257.5  21.5  ?    ?   588.988  -25.6445     561.175    -25.6445     146.838     -25.6445     
1 1 1 11 5  11 o 0 1034.6 71.9  ?    ?   1126.8   -26.936      1134.57    -26.936      389.613     -26.936      
1 1 1 11 5  12 o 0 59.8   4.7   ?    ?   337.845  60.4382      167.791    60.4382      55.4205     -119.562     
1 1 1 11 5  13 o 0 14.4   2.6   ?    ?   101.772  -58.5058     7.48836    121.494      74.3733     121.494      
1 1 1 11 5  14 o 0 429    28.1  ?    ?   870.028  30.2724      620.451    30.2724      51.7335     30.2724      
1 1 1 11 5  15 o 0 641.4  41.9  ?    ?   975.611  -43.0183     818.331    -43.0183     184.136     -43.0183     
1 1 1 11 5  16 o 0 5.4    3     ?    ?   244.531  140.525      111.23     -39.4749     270.946     -39.4749     
1 1 1 11 5  17 o 0 16.5   4.1   ?    ?   196.843  -89.1354     13.4583    90.8646      141.237     90.8646      
1 1 1 11 5  18 o 0 15.8   3.9   ?    ?   254.035  155.65       30.4871    -24.3502     182.412     -24.3502     
1 1 1 11 5  19 o 0 146.9  11.7  ?    ?   593.906  -166.695     254.22     -166.695     98.4858     13.3048      
1 1 1 11 5  20 o 0 238.9  19.3  ?    ?   719.588  123.264      356.967    123.264      68.4856     -56.7358     
1 1 1 11 5  21 o 0 95.4   10.1  ?    ?   401.716  108.786      223.223    108.786      12.3893     -71.2138     
1 1 1 11 5  22 o 0 0.7    5.8   ?    ?   312.736  -178.527     137.264    1.47338      318.723     1.47338      
1 1 1 11 5  23 o 0 198.9  19.4  ?    ?   827.77   -54.6512     220.742    -54.6512     255.154     125.349      
1 1 1 11 5  24 o 0 573.1  44.2  ?    ?   956.253  -48.5826     635.253    -48.5826     84.5959     -48.5826     
1 1 1 11 5  25 o 0 222.8  19.5  ?    ?   622.069  130.121      364.246    130.121      9.7665      130.121      
1 1 1 11 5  26 o 0 98.3   11.7  ?    ?   425.093  -107.232     226.522    -107.232     30.7952     72.7678      
1 1 1 11 5  27 o 0 584.4  45.5  ?    ?   908.948  149.154      685.015    149.154      141.287     149.154      
1 1 1 11 5  28 o 0 327.9  24    ?    ?   562.988  21.8493      575.856    21.8493      249.968     21.8493      
1 1 1 11 5  29 f 1 9.4    7.9   ?    ?   275.47   -93.99       41.1022    86.01        189.674     86.01        
1 1 1 11 5  30 o 0 93.3   11.6  ?    ?   388.474  49.9395      242.196    49.9395      35.0481     49.9395      
1 1 1 11 5  31 o 0 63.7   10.7  ?    ?   213.698  -166.939     229.058    -166.939     120.722     -166.939     
1 1 1 11 5  32 o 0 78.6   10.8  ?    ?   433.537  75.1167      191.224    75.1167      22.2001     -104.883     
1 1 1 11 5  33 o 0 169.3  20.3  ?    ?   563.938  -38.3505     309.452    -38.3505     23.6612     -38.3505     
1 1 1 11 5  34 o 0 8.3    8.2   ?    ?   73.577   174.025      20.4725    174.025      25.9436     -5.97457     
1 1 1 11 5  35 f 1 22.7   8     ?    ?   195.427  132.541      100.379    132.541      20.7098     -47.4589     
1 1 1 11 5  36 o 0 49     9     ?    ?   278.593  -35.6008     196.264    -35.6008     30.036      -35.6008     
1 1 1 11 5  37 o 0 90.7   10.6  ?    ?   282.32   -96.1198     333.883    -96.1198     173.174     -96.1198     
1 1 1 11 5  38 o 0 4.9    7.3   ?    ?   5.32733  -143.475     2.12597    -143.475     0.813461    36.5249      
1 1 1 11 5  39 o 0 -7.1   7.1   ?    ?   40.2063  7.8122       1.74115    -172.188     22.2518     -172.188     
1 1 1 11 5  40 o 0 9.3    7.9   ?    ?   136.031  130.697      59.2087    130.697      2.49023     -49.3028     
1 1 1 11 6  0  o 0 1.9    1.8   ?    ?   70.4823  -90          2.13875    -90          50.5355     90           
1 1 1 11 6  2  f 1 571.4  47    ?    ?   984.46   124.475      822.731    124.475      99.7056     124.475      
1 1 1 11 6  3  f 1 426.8  39.2  ?    ?   741.867  -138.757     774.988    -138.757     234.188     -138.757     
1 1 1 11 6  4  o 0 23.9   2.6   ?    ?   347.252  -28.8223     12.4968    151.178      264.442     151.178      
1 1 1 11 6  5  o 0 218.4  16.5  ?    ?   537.576  -126.529     525.978    -126.529     138.674     -126.529     
1 1 1 11 6  6  o 0 648.6  48.5  ?    ?   1016.66  -134.369     877.678    -134.369     150.093     -134.369     
1 1 1 11 6  7  o 0 321.3  26.6  ?    ?   792.387  -74.5633     551.186    -74.5633     12.3184     105.437      
1 1 1 11 6  8  o 0 140.1  11.9  ?    ?   177.599  -34.4381     479.752    -34.4381     354.207     -34.4381     
1 1 1 11 6  9  o 0 52.8   4.7   ?    ?   217.012  -165.377     182.057    -165.377     29.5217     -165.377     
1 1 1 11 6  10 o 0 177.6  13.8  ?    ?   268.986  107.167      530.157    107.167      352.488     107.167      
1 1 1 11 6  11 o 0 27.2   3.3   ?    ?   95.1727  -34.0913     40.1992    -34.0913     22.6216     145.909      
1 1 1 11 6  12 o 0 110.4  7.7   ?    ?   492.607  -102.872     252.425    -102.872     71.0327     77.1278      
1 1 1 11 6  13 o 0 41.4   3.8   ?    ?   344.328  -103.529     85.0739    -103.529     139.836     76.471       
1 1 1 11 6  14 o 0 194.4  14.1  ?    ?   645.784  -140.152     361.059    -140.152     58.5036     39.8479      
1 1 1 11 6  15 f 1 312.6  22.3  ?    ?   949.154  -39.1443     391.196    -39.1443     220.483     140.856      
1 1 1 11 6  16 o 0 296.2  20    ?    ?   848.206  -54.1211     416.96     -54.1211     133.7       125.879      
1 1 1 11 6  17 o 0 39.9   4.5   ?    ?   210.587  128.453      108.657    128.453      27.222      -51.5475     
1 1 1 11 6  18 o 0 142    10.4  ?    ?   196.391  32.3813      405.148    32.3813      288.398     32.3813      
1 1 1 11 6  19 o 0 307.2  20.8  ?    ?   557.052  130.061      554.769    130.061      224.903     130.061      
1 1 1 11 6  20 o 0 161    14.4  ?    ?   439.456  43.3548      358.417    43.3548      100.117     43.3548      
1 1 1 11 6  21 o 0 175.1  18.9  ?    ?   591.901  -91.4752     305.08     -91.4752     40.0582     88.5248      
1 1 1 11 6  22 o 0 51.3   8.3   ?    ?   456.639  79.9914      61.9783    79.9914      201.453     -100.009     
1 1 1 11 6  23 o 0 141.7  13    ?    ?   292.142  170.673      373.474    170.673      206.474     170.673      
1 1 1 11 6  24 o 0 624.3  48    ?    ?   1111.74  -138.324     595.926    -138.324     40.6688     41.6759      
1 1 1 11 6  25 o 0 16     8     ?    ?   248.931  68.8012      24.4799    -111.199     174.461     -111.199     
1 1 1 11 6  26 o 0 14.3   8.7   ?    ?   89.6193  -32.0582     1.02643    -32.0582     52.9259     147.942      
1 1 1 11 6  27 o 0 184.3  15.3  ?    ?   625.744  -114.62      303.78     -114.62      68.5254     65.3804      
1 1 1 11 6  28 o 0 12.7   7.5   ?    ?   409.88   137.799      93.6307    -42.2006     329.638     -42.2006     
1 1 1 11 6  29 f 1 24.1   8.2   ?    ?   80.608   -38.0195     51.1908    -38.0195     7.94145     -38.0195     
1 1 1 11 6  30 o 0 29.2   9.2   ?    ?   316.316  -114.099     67.2355    -114.099     94.6645     65.901       
1 1 1 11 6  31 o 0 30.4   7.9   ?    ?   177.375  166.977      109.358    166.977      19.886      166.977      
1 1 1 11 6  32 o 0 6.9    8.2   ?    ?   208.64   30.1168      16.6445    -149.883     118.852     -149.883     
1 1 1 11 6  33 o 0 10.4   7.5   ?    ?   96.2314  22.4468      20.1344    22.4468      40.0969     -157.553     
1 1 1 11 6  34 o 0 21.2   7.7   ?    ?   260.512  -122.186     60.2957    -122.186     103.276     57.8135      
1 1 1 11 6  35 f 1 -2.3   9.5   ?    ?   34.8526  -165.583     0.0586333  -165.583     21.4372     14.4169      
1 1 1 11 6  36 o 0 9.7    7.4   ?    ?   155.227  -135.539     30.2524    -135.539     61.9506     44.4607      
1 1 1 11 6  37 o 0 37.9   8.1   ?    ?   187.197  86.7093      191.629    86.7093      85.5362     86.7093      
1 1 1 11 6  38 o 0 17     6.8   ?    ?   205.957  164.066      69.4087    164.066      43.7428     -15.9338     
1 1 1 11 6  39 o 0 3.1    6.9   ?    ?   120.913  156.471      16.3874    156.471      45.0357     -23.5294     
1 1 1 11 6  40 o 0 2.8    7.7   ?    ?   166.332  -145.424     21.2156    -145.424     53.918      34.5758      
1 1 1 11 7  0  o 0 0.2    2.4   ?    ?   5.30595  -90          0.10374    -90          3.82717     90           
1 1 1 11 7  1  o 0 266.7  22    ?    ?   610.062  132.747      590.348    132.747      141.474     132.747      
1 1 1 11 7  2  o 0 712.2  53.3  ?    ?   931.497  94.6975      1033.21    94.6975      352.63      94.6975      
1 1 1 11 7  3  o 0 90.6   6.6   ?    ?   290.77   41.3191      322.702    41.3191      111.747     41.3191      
1 1 1 11 7  4  o 0 19.8   2.2   ?    ?   115.531  -156.122     13.8469    -156.122     69.3934     23.8781      
1 1 1 11 7  5  o 0 67     5.4   ?    ?   467.789  70.6844      140.853    70.6844      193.942     -109.316     
1 1 1 11 7  6  o 0 21.1   2.6   ?    ?   258.648  50.1344      1.91663    50.1344      182.011     -129.866     
1 1 1 11 7  7  o 0 219.5  18.4  ?    ?   516.942  -6.04908     531.084    -6.04908     165.727     -6.04908     
1 1 1 11 7  8  o 0 47.2   4.3   ?    ?   367.771  -165.65      108.037    -165.65      150.377     14.3498      
1 1 1 11 7  9  o 0 15.2   2.7   ?    ?   178.155  129.836      17.0613    -50.1644     134.679     -50.1644     
1 1 1 11 7  10 o 0 801.6  60.1  ?    ?   1125.44  -148.441     901.539    -148.441     159.09      -148.441     
1 1 1 11 7  11 o 0 371.1  26.1  ?    ?   916.344  -172.614     508.068    -172.614     93.2551     7.38636      
1 1 1 11 7  12 o 0 15.1   2.9   ?    ?   79.2632  130.675      2.93698    -49.3254     54.6796     -49.3254     
1 1 1 11 7  13 o 0 14.7   2.9   ?    ?   256.595  44.9355      38.9855    -135.064     205.61      -135.064     
1 1 1 11 7  14 o 0 573.3  37.4  ?    ?   1243.13  -127.469     565.853    -127.469     237.068     52.5306      
1 1 1 11 7  15 f 1 615.5  40.2  ?    ?   1085.21  -37.7943     705.776    -37.7943     3.13559     -37.7943     
1 1 1 11 7  16 o 0 204.9  14.1  ?    ?   606.768  -178.244     394.72     -178.244     3.12928     -178.244     
1 1 1 11 7  17 o 0 2.5    3.3   ?    ?   209.528  174.43       99.7942    -5.56971     224.424     -5.56971     
1 1 1 11 7  18 o 0 44.7   5.9   ?    ?   470.566  -92.357      30.1033    -92.357      247.976     87.643       
1 1 1 11 7  19 o 0 258.5  20.9  ?    ?   803.217  -105.202     341.145    -105.202     131.664     74.7983      
1 1 1 11 7  20 o 0 672.1  51.1  ?    ?   949.977  94.5769      760.425    94.5769      205.374     94.5769      
1 1 1 11 7  21 o 0 24.4   6.4   ?    ?   304.367  77.3933      8.39006    77.3933      167.653     -102.607     
1 1 1 11 7  22 o 0 45.7   6.9   ?    ?   364.773  7.25449      82.1412    7.25449      127.049     -172.746     
1 1 1 11 7  23 f 1 852.1  64.4  ?    ?   1256.69  101.402      733.219    101.402      20.9058     101.402      
1 1 1 11 7  24 o 0 353.5  28.7  ?    ?   835.269  -102.979     440.825    -102.979     34.6634     77.0207      
1 1 1 11 7  25 o 0 64.3   9.6   ?    ?   355.039  164.852      161.23     164.852      53.6351     -15.1477     
1 1 1 11 7  26 o 0 75.9   11    ?    ?   606.715  117.459      63.5337    117.459      299.615     -62.5407     
1 1 1 11 7  27 o 0 113.5  13.1  ?    ?   551.15   67.3883      202.121    67.3883      117.372     -112.612     
1 1 1 11 7  28 o 0 565.5  38.9  ?    ?   920.118  143.68       655.388    143.68       128.577     143.68       
1 1 1 11 7  29 o 0 139.5  14    ?    ?   488.405  -55.2571     303.815    -55.2571     42.5555     -55.2571     
1 1 1 11 7  30 o 0 164.1  15.5  ?    ?   587.799  -154.358     311.772    -154.358     12.5759     -154.358     
1 1 1 11 7  31 o 0 57.3   9.1   ?    ?   357.382  -66.531      162.493    -66.531      14.3127     113.469      
1 1 1 11 7  32 o 0 92.6   11.5  ?    ?   364.059  150.934      254.567    150.934      77.1792     150.934      
1 1 1 11 7  33 o 0 264    21.2  ?    ?   601.656  113.441      547.546    113.441      172.957     113.441      
1 1 1 11 7  34 o 0 50.3   8.5   ?    ?   348.345  -10.0178     163.603    -10.0178     53.9808     169.982      
1 1 1 11 7  35 o 0 -11.4  7.1   ?    ?   45.2881  57.2443      15.3005    -122.756     43.1614     -122.756     
1 1 1 11 7  36 o 0 8.3    8.5   ?    ?   144.686  63.756       27.788     63.756       57.7215     -116.244     
1 1 1 11 7  37 o 0 79.2   9.9   ?    ?   260.439  13.893       308.03     13.893       161.158     13.893       
1 1 1 11 7  38 o 0 -0.8   7.8   ?    ?   45.7067  143.12       4.40981    143.12       20.5793     -36.88       
1 1 1 11 7  39 o 0 16.3   6.7   ?    ?   103.546  137.395      112.828    137.395      65.2817     137.395      
1 1 1 11 8  0  o 0 8.3    2.3   ?    ?   181.744  90           30.955     90           102.557     -90          
1 1 1 11 8  1  o 0 16.1   2     ?    ?   256.875  119.368      34.6753    -60.6324     222.186     -60.6324     
1 1 1 11 8  2  o 0 23.4   2.7   ?    ?   325.778  -30.424      6.45069    149.576      242.708     149.576      
1 1 1 11 8  3  o 0 115.1  9.8   ?    ?   447.704  107.608      319.263    107.608      3.28338     -72.3919     
1 1 1 11 8  4  o 0 28.2   2.7   ?    ?   110.126  109.623      49.9674    109.623      28.8566     -70.3772     
1 1 1 11 8  6  o 0 1255.3 86.7  ?    ?   1676.3   33.0639      1030.78    33.0639      154.107     -146.936     
1 1 1 11 8  7  o 0 176.4  13.6  ?    ?   509.023  115.239      412.828    115.239      74.878      115.239      
1 1 1 11 8  8  o 0 140.6  12.1  ?    ?   547.601  -122.518     302.827    -122.518     60.3431     57.4824      
1 1 1 11 8  9  o 0 69.1   6     ?    ?   302.68   71.9827      216.58     71.9827      16.9464     71.9827      
1 1 1 11 8  10 o 0 18     3.1   ?    ?   86.9232  133.121      6.45756    133.121      50.5657     -46.8791     
1 1 1 11 8  11 o 0 1635.6 113.2 ?    ?   1710.39  27.1238      1208.48    27.1238      92.3446     27.1238      
1 1 1 11 8  12 o 0 293.9  19.4  ?    ?   730.402  -70.4984     495.744    -70.4984     21.6122     -70.4984     
1 1 1 11 8  13 o 0 38.8   3.8   ?    ?   318.304  149.102      82.2151    149.102      123.314     -30.8979     
1 1 1 11 8  14 o 0 45.8   4.3   ?    ?   577.481  -33.2129     21.9208    146.787      396.724     146.787      
1 1 1 11 8  15 f 1 134.6  9.7   ?    ?   305.878  -147.783     397.146    -147.783     200.242     -147.783     
1 1 1 11 8  16 o 0 441.7  31.3  ?    ?   1366.02  126.313      282.358    126.313      530.409     -53.6874     
1 1 1 11 8  17 o 0 11.9   4.4   ?    ?   224.21   -57.4724     49.0984    122.528      181.676     122.528      
1 1 1 11 8  18 o 0 419.1  27.9  ?    ?   820.718  173.408      560.546    173.408      76.9543     173.408      
1 1 1 11 8  19 f 1 1616   120.7 ?    ?   1954.66  -129.295     906.651    -129.295     234.108     50.7053      
1 1 1 11 8  20 o 0 63.2   7.9   ?    ?   56.0708  -102.116     90.217     -102.116     57.6537     -102.116     
1 1 1 11 8  21 o 0 420.6  32.6  ?    ?   898.129  41.3137      506.649    41.3137      9.67338     -138.686     
1 1 1 11 8  22 o 0 107.2  10    ?    ?   389.541  26.2571      255.007    26.2571      32.971      26.2571      
1 1 1 11 8  23 o 0 181.4  15    ?    ?   567.007  -177.24      322.165    -177.24      1.78442     2.76022      
1 1 1 11 8  24 o 0 85.4   11.4  ?    ?   810.829  -12.3753     21.9634    167.625      509.727     167.625      
1 1 1 11 8  25 f 1 272.6  23.6  ?    ?   735.82   30.1882      397.143    30.1882      44.3215     -149.812     
1 1 1 11 8  26 o 0 82.5   11.4  ?    ?   315.691  -91.3137     230.971    -91.3137     43.1588     -91.3137     
1 1 1 11 8  27 o 0 53.9   10.3  ?    ?   296.955  22.053       155.827    22.053       15.275      -157.947     
1 1 1 11 8  28 o 0 179.6  16.9  ?    ?   644.462  118.267      306.889    118.267      40.2931     -61.7326     
1 1 1 11 8  29 o 0 139.3  15.7  ?    ?   674.352  124.957      207.197    124.957      151.379     -55.0435     
1 1 1 11 8  30 o 0 63.9   9.5   ?    ?   234.751  77.1995      224.469    77.1995      105.685     77.1995      
1 1 1 11 8  31 o 0 24.4   7.8   ?    ?   298.397  95.1727      55.867     95.1727      90.8917     -84.8273     
1 1 1 11 8  32 o 0 25.3   7.5   ?    ?   242.197  -142.628     79.086     -142.628     43.6567     37.372       
1 1 1 11 8  33 o 0 165.2  15.1  ?    ?   438.403  -4.20378     444.792    -4.20378     167.952     -4.20378     
1 1 1 11 8  34 o 0 14.8   7.3   ?    ?   180.079  45.5111      53.225     45.5111      58.8631     -134.489     
1 1 1 11 8  35 o 0 50.7   8.3   ?    ?   282.749  74.1782      203.318    74.1782      34.1103     74.1782      
1 1 1 11 8  36 o 0 19.3   7     ?    ?   114.915  -41.2762     107.104    -41.2762     41.43       -41.2762     
1 1 1 11 8  37 o 0 58.2   9.6   ?    ?   340.035  -81.1631     200.07     -81.1631     11.52       -81.1631     
1 1 1 11 8  38 o 0 16.4   8.9   ?    ?   163.454  11.1559      82.9043    11.1559      0.976616    -168.844     
1 1 1 11 8  39 o 0 7.6    7.1   ?    ?   96.4664  -52.2017     55.2805    -52.2017     11.2216     -52.2017     
1 1 1 11 9  0  o 0 -0.2   2.3   ?    ?   11.5225  -90          0.190602   -90          8.20398     90           
1 1 1 11 9  1  o 0 50.2   4.2   ?    ?   474.109  -62.6047     66.3536    -62.6047     277.054     117.395      
1 1 1 11 9  2  o 0 801.2  60    ?    ?   891.827  -113.815     1152.03    -113.815     509.949     -113.815     
1 1 1 11 9  3  o 0 24.4   2.5   ?    ?   364.272  91.5856      16.7505    -88.4144     277.409     -88.4144     
1 1 1 11 9  4  f 1 11.9   2     ?    ?   107.594  66.0262      20.1194    -113.974     92.234      -113.974     
1 1 1 11 9  5  o 0 8.4    1.8   ?    ?   224.074  -54.187      78.0497    125.813      227.714     125.813      
1 1 1 11 9  6  f 1 69.7   5.8   ?    ?   282.579  23.6321      228.589    23.6321      40.572      23.6321      
1 1 1 11 9  7  o 0 8.5    2     ?    ?   230.679  177.519      78.0952    -2.48099     231.093     -2.48099     
1 1 1 11 9  8  f 1 56.6   5.7   ?    ?   75.9945  151.421      117.495    151.421      67.5012     151.421      
1 1 1 11 9  9  o 0 3.9    2.2   ?    ?   165.237  87.7547      82.8207    -92.2453     191.211     -92.2453     
1 1 1 11 9  10 o 0 236.8  16.8  ?    ?   429.658  66.7545      571.016    66.7545      290.679     66.7545      
1 1 1 11 9  11 o 0 1122.2 78    ?    ?   1230.52  -63.191      1121.71    -63.191      323.082     -63.191      
1 1 1 11 9  12 o 0 30     3.3   ?    ?   328.915  -132.492     32.9852    -132.492     179.355     47.5076      
1 1 1 11 9  13 o 0 6.1    3     ?    ?   306.162  -157.205     134.373    22.7945      333.055     22.7945      
1 1 1 11 9  14 o 0 292.6  20.9  ?    ?   645.031  5.38655      531.584    5.38655      115.3       5.38655      
1 1 1 11 9  15 o 0 45.7   4.7   ?    ?   205.779  -122.49      124.324    -122.49      1.87111     -122.49      
1 1 1 11 9  16 f 1 101.7  8     ?    ?   352.901  54.3808      265.252    54.3808      57.0398     54.3808      
1 1 1 11 9  17 o 0 12.2   3.7   ?    ?   153.894  100.126      26.0116    -79.8737     116.749     -79.8737     
1 1 1 11 9  18 o 0 232.4  18.5  ?    ?   753.243  64.5211      324.181    64.5211      116.986     -115.479     
1 1 1 11 9  19 o 0 489.5  37.5  ?    ?   925.257  136.468      577.516    136.468      39.4283     136.468      
1 1 1 11 9  20 o 0 1500.9 112.3 ?    ?   1783.89  -87.9603     910.749    -87.9603     116.654     92.0397      
1 1 1 11 9  21 o 0 134.3  12.7  ?    ?   165.078  -24.8002     372.285    -24.8002     277.974     -24.8002     
1 1 1 11 9  22 o 0 10.9   5.6   ?    ?   77.37    -30.1576     12.3885    149.842      56.718      149.842      
1 1 1 11 9  23 o 0 31.8   7.2   ?    ?   413.539  -81.4764     4.10156    -81.4764     230.676     98.5236      
1 1 1 11 9  24 o 0 377    30.8  ?    ?   743.47   111.945      543.778    111.945      94.7794     111.945      
1 1 1 11 9  25 o 0 165.9  16.6  ?    ?   295.6    -83.0061     438.174    -83.0061     261.498     -83.0061     
1 1 1 11 9  26 o 0 59.8   10.6  ?    ?   281.775  -65.0357     183.051    -65.0357     19.8354     -65.0357     
1 1 1 11 9  27 o 0 250    22.4  ?    ?   619.471  -116.398     422.066    -116.398     67.4071     -116.398     
1 1 1 11 9  28 o 0 578    42.4  ?    ?   883.193  14.7725      704.31     14.7725      231.544     14.7725      
1 1 1 11 9  29 o 0 179.9  16.9  ?    ?   681.704  115.323      296.006    115.323      51.4935     -64.6773     
1 1 1 11 9  30 o 0 46.2   8.8   ?    ?   224.668  4.44219      165.737    4.44219      52.7724     4.44219      
1 1 1 11 9  31 o 0 1.9    7.6   ?    ?   275.029  108.34       60.6748    -71.6599     195.09      -71.6599     
1 1 1 11 9  32 o 0 109.7  11.3  ?    ?   510.601  -67.0627     272.564    -67.0627     46.5613     112.937      
1 1 1 11 9  33 o 0 47.8   8.1   ?    ?   242.071  -61.9062     211.2      -61.9062     59.2877     -61.9062     
1 1 1 11 9  34 o 0 7.1    6.8   ?    ?   186.031  168.405      3.76358    -11.5953     118.842     -11.5953     
1 1 1 11 9  35 o 0 -7.4   6.9   ?    ?   63.9711  17.1244      15.7624    -162.876     53.8109     -162.876     
1 1 1 11 9  36 o 0 0.9    7.2   ?    ?   259.625  109.765      53.3717    -70.2347     200.847     -70.2347     
1 1 1 11 9  37 o 0 28.1   8.9   ?    ?   254.185  -151.583     108.043    -151.583     32.0552     28.4173      
1 1 1 11 9  38 o 0 5.4    8.5   ?    ?   23.9452  75.7519      14.6466    75.7519      2.43166     75.7519      
1 1 1 11 9  39 o 0 21.8   7.1   ?    ?   187.499  -54.6921     121.318    -54.6921     36.1866     -54.6921     
1 1 1 11 10 0  o 0 30.9   4.3   ?    ?   348.084  -90          149.282    -90          89.4591     90           
1 1 1 11 10 1  o 0 88.5   7     ?    ?   420.747  -149.64      235.268    -149.64      51.7937     30.36        
1 1 1 11 10 2  o 0 95.4   7.1   ?    ?   188.754  -33.4139     334.92     -33.4139     206.85      -33.4139     
1 1 1 11 10 3  o 0 95.8   7.1   ?    ?   450.247  -2.14231     239.675    -2.14231     64.0886     177.858      
1 1 1 11 10 4  f 1 11.2   1.9   ?    ?   45.7961  102.784      8.80504    -77.2156     39.4461     -77.2156     
1 1 1 11 10 5  o 0 19.1   2.3   ?    ?   183.676  10.5346      7.15293    10.5346      115.354     -169.465     
1 1 1 11 10 6  o 0 94.7   8.5   ?    ?   472.946  -21.4422     219.414    -21.4422     94.251      158.558      
1 1 1 11 10 7  o 0 522.9  39.5  ?    ?   997.618  58.4197      668.885    58.4197      10.9209     58.4197      
1 1 1 11 10 8  o 0 138.6  11    ?    ?   877.475  155.331      93.5399    155.331      482.029     -24.6687     
1 1 1 11 10 9  o 0 0.8    1.9   ?    ?   78.622   -31.9102     46.0831    148.09       97.377      148.09       
1 1 1 11 10 10 o 0 678.5  44.1  ?    ?   1094.27  171.722      783.922    171.722      73.8069     171.722      
1 1 1 11 10 11 o 0 2152.3 139.2 ?    ?   1752.21  -148.446     1514.43    -148.446     383.398     -148.446     
1 1 1 11 10 12 o 0 769.6  57.8  ?    ?   1033.82  41.9051      901.187    41.9051      230.384     41.9051      
1 1 1 11 10 13 o 0 34.9   4     ?    ?   388.436  -84.6667     29.0242    -84.6667     221.642     95.3333      
1 1 1 11 10 14 o 0 185    12.7  ?    ?   686.063  59.0018      282.877    59.0018      125.387     -120.998     
1 1 1 11 10 15 o 0 125.4  9.3   ?    ?   468.891  145.653      269.841    145.653      7.56604     -34.3471     
1 1 1 11 10 16 o 0 459.5  30.4  ?    ?   837.261  -118.22      601.878    -118.22      108.035     -118.22      
1 1 1 11 10 17 f 1 -0.3   3.6   ?    ?   152.758  131.552      76.4454    -48.4477     165.741     -48.4477     
1 1 1 11 10 18 o 0 71.5   7.6   ?    ?   247.91   20.0718      207.639    20.0718      63.3297     20.0718      
1 1 1 11 10 19 o 0 526.2  40.1  ?    ?   870.445  98.8114      646.008    98.8114      144.037     98.8114      
1 1 1 11 10 20 o 0 90.7   9.5   ?    ?   250.593  44.5182      263.38     44.5182      119.968     44.5182      
1 1 1 11 10 21 f 1 82.1   8.4   ?    ?   516.652  -151.969     129.091    -151.969     163.431     28.0307      
1 1 1 11 10 22 f 1 149.3  12.4  ?    ?   547.015  -77.5289     269.846    -77.5289     40.7345     102.471      
1 1 1 11 10 23 o 0 8.4    6.2   ?    ?   150.459  -155.925     39.3795    24.0748      129.603     24.0748      
1 1 1 11 10 24 o 0 158.6  15.3  ?    ?   269.41   -149.517     435.637    -149.517     274.009     -149.517     
1 1 1 11 10 25 o 0 76.5   11.2  ?    ?   286.975  -146.699     234.988    -146.699     68.0366     -146.699     
1 1 1 11 10 26 o 0 4.8    8.5   ?    ?   62.6779  57.3492      12.2838    -122.651     48.3468     -122.651     
1 1 1 11 10 27 f 1 274.3  24.2  ?    ?   639.494  0.517726     466.326    0.517726     122.969     0.517726     
1 1 1 11 10 28 f 1 166    18    ?    ?   287.211  121.35       442.588    121.35       290.273     121.35       
1 1 1 11 10 29 o 0 42.8   8.3   ?    ?   396.453  -82.7792     91.1749    -82.7792     109.557     97.2208      
1 1 1 11 10 30 o 0 21.9   7.6   ?    ?   206.804  -90.9743     66.8478    -90.9743     35.0021     89.0257      
1 1 1 11 10 31 o 0 80.1   9.6   ?    ?   473.715  -103.312     167.443    -103.312     73.1388     76.6875      
1 1 1 11 10 32 o 0 13.1   6.6   ?    ?   60.5507  -31.4941     37.8513    -31.4941     0.495738    148.506      
1 1 1 11 10 33 o 0 55.5   8.1   ?    ?   319.228  165.593      200.548    165.593      1.55378     165.593      
1 1 1 11 10 34 o 0 4.9    8.2   ?    ?   73.9255  -40.4177     10.9326    -40.4177     34.4934     139.582      
1 1 1 11 10 35 o 0 3.9    7.9   ?    ?   36.1731  -139.532     7.2298     -139.532     14.1427     40.4676      
1 1 1 11 10 36 o 0 35.4   7.7   ?    ?   298.689  -81.892      128.633    -81.892      39.9153     98.108       
1 1 1 11 10 37 o 0 25.1   8.2   ?    ?   184.975  32.2388      130.804    32.2388      35.2175     32.2388      
1 1 1 11 10 38 o 0 37.9   10.3  ?    ?   331.034  149.264      138.163    149.264      14.2126     -30.7357     
1 1 1 11 11 0  o 0 59.8   6.2   ?    ?   365.353  90           226.912    90           21.5829     -90          
1 1 1 11 11 1  o 0 278.9  18.3  ?    ?   706.025  -174.6       505.219    -174.6       27.2839     -174.6       
1 1 1 11 11 2  o 0 2278.8 147.1 ?    ?   1847.63  55.7972      1578.26    55.7972      333.815     55.7972      
1 1 1 11 11 3  o 0 486.3  36.6  ?    ?   983.323  -68.6775     640.499    -68.6775     18.3469     111.322      
1 1 1 11 11 4  o 0 98.2   7.9   ?    ?   434.998  -127.344     252.374    -127.344     37.5276     52.6564      
1 1 1 11 11 5  o 0 168.7  12.1  ?    ?   757.286  -153.533     242.635    -153.533     259.338     26.4666      
1 1 1 11 11 6  o 0 744.9  55.9  ?    ?   1222.95  -100.345     781.953    -100.345     24.3211     79.655       
1 1 1 11 11 7  o 0 450.8  31.5  ?    ?   913.186  39.3662      625.378    39.3662      26.5545     39.3662      
1 1 1 11 11 8  o 0 118.9  10.5  ?    ?   435.465  24.3603      305.136    24.3603      21.1017     24.3603      
1 1 1 11 11 9  o 0 23.7   3.4   ?    ?   152.633  34.6248      33.4355    34.6248      65.5919     -145.375     
1 1 1 11 11 10 o 0 183.9  14.4  ?    ?   626.18   -1.32954     343.457    -1.32954     64.9445     178.67       
1 1 1 11 11 11 o 0 2121.2 146.7 ?    ?   2020.33  91.047       1300.87    91.047       9.77101     -88.953      
1 1 1 11 11 12 o 0 250.5  18    ?    ?   645.735  57.3483      457.991    57.3483      41.3565     57.3483      
1 1 1 11 11 13 o 0 45.1   4.4   ?    ?   342.46   -25.1967     89.5577    -25.1967     114.212     154.803      
1 1 1 11 11 14 f 1 630.3  41.2  ?    ?   961.559  120.586      729.074    120.586      161.658     120.586      
1 1 1 11 11 15 o 0 503.9  38.3  ?    ?   848.047  2.31692      647.102    2.31692      146.828     2.31692      
1 1 1 11 11 16 o 0 65.6   6.4   ?    ?   407.08   -29.0736     133.675    -29.0736     104.978     150.926      
1 1 1 11 11 17 o 0 35.5   5.2   ?    ?   230.04   134.857      77.3123    134.857      56.6709     -45.1428     
1 1 1 11 11 18 o 0 102.2  9.6   ?    ?   497.111  0.589873     194.253    0.589873     92.6697     -179.41      
1 1 1 11 11 19 o 0 208.1  16.3  ?    ?   666.177  -135.716     324.61     -135.716     57.092      44.284       
1 1 1 11 11 20 o 0 206.4  15.4  ?    ?   541.806  165.75       383.766    165.75       75.7266     165.75       
1 1 1 11 11 21 o 0 24.2   5.8   ?    ?   171.269  12.2953      39.2555    12.2953      58.432      -167.705     
1 1 1 11 11 22 o 0 52.2   7.5   ?    ?   206.26   -72.1746     162.418    -72.1746     38.4288     -72.1746     
1 1 1 11 11 23 o 0 275.8  19.9  ?    ?   545.425  84.8353      510.059    84.8353      181.873     84.8353      
1 1 1 11 11 24 o 0 144.2  14    ?    ?   694.984  178.491      184.386    178.491      229.675     -1.50921     
1 1 1 11 11 25 o 0 132.7  13.8  ?    ?   361.655  -101.667     342.539    -101.667     133.609     -101.667     
1 1 1 11 11 26 o 0 75.1   11.5  ?    ?   311.346  -177.8       229.348    -177.8       60.9691     -177.8       
1 1 1 11 11 27 o 0 10.9   9.7   ?    ?   188.981  149.662      4.27875    -30.338      105.289     -30.338      
1 1 1 11 11 28 o 0 169.3  17.8  ?    ?   387.322  -159.441     413.138    -159.441     215.867     -159.441     
1 1 1 11 11 29 o 0 165.7  18.3  ?    ?   441.262  -4.11136     380.795    -4.11136     162.044     -4.11136     
1 1 1 11 11 30 o 0 39.6   8.3   ?    ?   216.513  -124.879     147.996    -124.879     42.1266     -124.879     
1 1 1 11 11 31 o 0 12.2   6.6   ?    ?   109.738  -113.569     30.1923    -113.569     38.4775     66.431       
1 1 1 11 11 32 o 0 84.2   11.1  ?    ?   430.457  98.4026      236.613    98.4026      34.0468     -81.5974     
1 1 1 11 11 33 o 0 180.8  17.6  ?    ?   506.291  117.962      424.972    117.962      110.936     117.962      
1 1 1 11 11 34 o 0 -11.4  6.7   ?    ?   128.215  -171.668     43.6702    8.33191      120.194     8.33191      
1 1 1 11 11 35 o 0 25.9   7     ?    ?   246.56   -164.015     108.48     -164.015     32.1691     15.9846      
1 1 1 11 11 36 o 0 28.9   6.7   ?    ?   242.593  -133.561     129.102    -133.561     5.28185     46.4391      
1 1 1 11 11 37 o 0 18.8   7.9   ?    ?   151.054  -23.3537     101.886    -23.3537     24.3791     -23.3537     
1 1 1 11 11 38 o 0 2.3    9     ?    ?   80.4794  -50.886      39.4101    -50.886      2.62577     -50.886      
1 1 1 11 12 0  o 0 230.6  21.6  ?    ?   725.054  90           457.928    90           30.9981     -90          
1 1 1 11 12 1  o 0 125.4  9.1   ?    ?   448.056  -96.6353     325.164    -96.6353     24.2978     -96.6353     
1 1 1 11 12 2  o 0 739    51.4  ?    ?   1211.98  26.2951      795.784    26.2951      14.3538     -153.705     
1 1 1 11 12 3  f 1 185.2  12.5  ?    ?   438.294  -15.8036     472.32     -15.8036     181.499     -15.8036     
1 1 1 11 12 4  o 0 22.8   2.6   ?    ?   285.364  -91.7656     6.51411    -91.7656     182.38      88.2344      
1 1 1 11 12 5  o 0 18.5   2.4   ?    ?   224.377  -1.79492     4.26276    178.205      152.034     178.205      
1 1 1 11 12 6  o 0 35.1   3.6   ?    ?   235.569  -127.198     88.3929    -127.198     65.9528     52.8018      
1 1 1 11 12 7  o 0 387.7  32.7  ?    ?   586.993  -122.187     731.103    -122.187     348.493     -122.187     
1 1 1 11 12 8  o 0 167.6  14.5  ?    ?   679.426  1.24942      276.97     1.24942      168.269     -178.751     
1 1 1 11 12 9  o 0 105.4  8.1   ?    ?   614.833  93.7827      159.427    93.7827      241.372     -86.2173     
1 1 1 11 12 10 o 0 279.3  19.9  ?    ?   694.663  -98.1927     481.712    -98.1927     31.2681     -98.1927     
1 1 1 11 12 11 o 0 245    19.1  ?    ?   632.037  -97.9588     422.541    -97.9588     44.5224     -97.9588     
1 1 1 11 12 12 o 0 176.6  13.1  ?    ?   639.309  77.7805      291.809    77.7805      88.465      -102.219     
1 1 1 11 12 13 o 0 59.8   5.5   ?    ?   342.823  3.06094      143.527    3.06094      59.8652     -176.939     
1 1 1 11 12 14 o 0 25.9   4     ?    ?   681.361  -25.2142     164.864    154.786      566.756     154.786      
1 1 1 11 12 15 o 0 569.1  43.1  ?    ?   1264.46  -5.92511     478.215    -5.92511     263.098     174.075      
1 1 1 11 12 16 o 0 25.1   4.4   ?    ?   216.267  -124.028     30.1557    -124.028     95.8329     55.9722      
1 1 1 11 12 17 f 1 1      4.6   ?    ?   69.3524  -88.8314     31.0001    91.1686      70.9437     91.1686      
1 1 1 11 12 18 f 1 5      5.7   ?    ?   215.67   -22.0583     77.9697    157.942      201.314     157.942      
1 1 1 11 12 19 o 0 101.6  10.2  ?    ?   205.283  -87.6775     296.743    -87.6775     179.91      -87.6775     
1 1 1 11 12 20 f 1 331.4  23    ?    ?   453.438  -106.045     616.753    -106.045     358.429     -106.045     
1 1 1 11 12 21 o 0 18.5   5.6   ?    ?   146.221  3.14989      13.705     3.14989      74.3512     -176.85      
1 1 1 11 12 22 o 0 81.3   8.7   ?    ?   319.378  108.668      230.052    108.668      37.4499     108.668      
1 1 1 11 12 23 o 0 80.9   9     ?    ?   339.933  11.907       217.478    11.907       14.4012     11.907       
1 1 1 11 12 24 o 0 318.4  23.1  ?    ?   552.016  -99.8137     569.201    -99.8137     249.271     -99.8137     
1 1 1 11 12 25 f 1 70.5   10.5  ?    ?   388.453  45.1745      168.634    45.1745      53.5613     -134.826     
1 1 1 11 12 26 o 0 3.7    7.9   ?    ?   112.213  114.409      20.9537    -65.5907     81.1908     -65.5907     
1 1 1 11 12 27 o 0 20.9   8.5   ?    ?   240.476  68.3069      45.7006    68.3069      77.3812     -111.693     
1 1 1 11 12 28 o 0 364.4  32.1  ?    ?   763.655  96.5355      519.257    96.5355      133.232     96.5355      
1 1 1 11 12 29 o 0 71.6   11    ?    ?   287.936  161.04       231.274    161.04       89.6098     161.04       
1 1 1 11 12 30 o 0 20.8   7.6   ?    ?   138.863  -35.6073     73.1617    -35.6073     2.66385     -35.6073     
1 1 1 11 12 31 o 0 -6.3   8.7   ?    ?   186.833  172.404      51.0039    -7.5965      169.363     -7.5965      
1 1 1 11 12 32 o 0 22.2   7     ?    ?   90.8179  -38.368      118.027    -38.368      61.2335     -38.368      
1 1 1 11 12 33 o 0 111.3  11.1  ?    ?   465.774  53.4392      288.499    53.4392      1.79606     53.4392      
1 1 1 11 12 34 o 0 -6.2   6.7   ?    ?   92.1802  -44.5553     23.0182    135.445      77.6156     135.445      
1 1 1 11 12 35 o 0 5.3    6.8   ?    ?   136.456  137.643      9.94182    137.643      67.3061     -42.3567     
1 1 1 11 12 36 o 0 22.2   6.6   ?    ?   124.565  68.7041      143.066    68.7041      78.4405     68.7041      
1 1 1 11 12 37 o 0 -0.7   7.7   ?    ?   62.3651  -61.7041     22.7085    -61.7041     6.13439     118.296      
1 1 1 11 13 0  o 0 3.5    3.2   ?    ?   146.927  -90          7.4231     -90          90.7747     90           
1 1 1 11 13 1  o 0 184.5  13.2  ?    ?   716.334  42.8463      305.153    42.8463      171.826     -137.154     
1 1 1 11 13 2  o 0 1111.4 72.1  ?    ?   1251.53  -143.354     1127.36    -143.354     297.425     -143.354     
1 1 1 11 13 3  o 0 21.4   2.6   ?    ?   199.589  -98.6784     18.4188    -98.6784     113.358     81.3216      
1 1 1 11 13 4  f 1 27.8   3.2   ?    ?   114.137  8.09604      45.2264    8.09604      30.3887     -171.904     
1 1 1 11 13 5  f 1 76.1   6.6   ?    ?   429.114  -3.1923      177.754    -3.1923      105.178     176.808      
1 1 1 11 13 6  o 0 894.7  67.1  ?    ?   1516.24  174.208      727.4      174.208      270.001     -5.79168     
1 1 1 11 13 7  o 0 1331.3 99.8  ?    ?   1384.82  -149.346     1181.68    -149.346     275.266     -149.346     
1 1 1 11 13 8  o 0 287.5  20.4  ?    ?   723.924  -44.8589     480.003    -44.8589     8.57628     -44.8589     
1 1 1 11 13 9  o 0 112.7  8.7   ?    ?   472.099  -67.0762     241.235    -67.0762     42.3916     112.924      
1 1 1 11 13 10 f 1 1631.9 112.8 ?    ?   1662.22  -51.5558     1121.45    -51.5558     130.628     -51.5558     
1 1 1 11 13 11 o 0 1063   80    ?    ?   1245.32  -91.2675     953.504    -91.2675     213.279     -91.2675     
1 1 1 11 13 12 o 0 444.9  33.9  ?    ?   940.377  106.596      527.435    106.596      30.1456     -73.4044     
1 1 1 11 13 13 o 0 1.7    3     ?    ?   162.401  75.4947      79.7685    -104.505     175.513     -104.505     
1 1 1 11 13 14 o 0 191.3  16.7  ?    ?   749.56   57.2834      252.976    57.2834      186.317     -122.717     
1 1 1 11 13 15 o 0 463.3  35.3  ?    ?   1054.33  178.129      474.782    178.129      139.32      -1.87061     
1 1 1 11 13 16 o 0 472.7  36    ?    ?   817.768  -105.825     615.733    -105.825     143.514     -105.825     
1 1 1 11 13 17 o 0 79.1   8.4   ?    ?   330.873  -36.529      206.182    -36.529      16.4154     -36.529      
1 1 1 11 13 18 o 0 11.8   5.3   ?    ?   241.371  -154.148     50.989     25.8517      188.433     25.8517      
1 1 1 11 13 19 o 0 857.5  60.2  ?    ?   1436.63  29.3735      624.228    29.3735      197.017     -150.627     
1 1 1 11 13 20 o 0 281.5  21.6  ?    ?   595.603  17.5221      497.773    17.5221      138.669     17.5221      
1 1 1 11 13 21 o 0 64.7   7.6   ?    ?   350.337  165.257      165.034    165.257      46.5687     -14.7429     
1 1 1 11 13 22 f 1 23     6.4   ?    ?   143.344  -43.736      42.9924    -43.736      42.5911     136.264      
1 1 1 11 13 23 o 0 61     8.4   ?    ?   229.629  98.3542      206.31     98.3542      72.9004     98.3542      
1 1 1 11 13 24 o 0 380.4  28.7  ?    ?   851.624  16.5756      482.768    16.5756      7.04706     -163.424     
1 1 1 11 13 25 o 0 27.1   8.6   ?    ?   163.811  -38.0462     87.4994    -38.0462     0.739295    141.954      
1 1 1 11 13 26 o 0 43.1   9     ?    ?   336.255  -4.91744     119.153    -4.91744     53.6375     175.083      
1 1 1 11 13 27 o 0 12.5   8.3   ?    ?   353.672  -65.0386     42.9615    114.961      222.557     114.961      
1 1 1 11 13 28 o 0 20.6   11.6  ?    ?   281.837  -121.274     34.5445    -121.274     104.834     58.7262      
1 1 1 11 13 29 o 0 118.1  13.5  ?    ?   340.899  167.462      319.527    167.462      145.46      167.462      
1 1 1 11 13 30 f 1 24     7.7   ?    ?   181.337  113.613      104.964    113.613      8.07755     -66.3872     
1 1 1 11 13 31 o 0 16     7.6   ?    ?   156.806  -134.183     64.6378    -134.183     33.8989     45.817       
1 1 1 11 13 32 o 0 25.4   6.6   ?    ?   202.571  -116.133     120.798    -116.133     4.85771     63.867       
1 1 1 11 13 33 o 0 141.1  13    ?    ?   411.887  -42.6941     396.812    -42.6941     150.799     -42.6941     
1 1 1 11 13 34 o 0 1.7    6.5   ?    ?   185.854  26.8059      24.1119    -153.194     130.285     -153.194     
1 1 1 11 13 35 o 0 8.9    7     ?    ?   107.9    89.9738      41.7578    89.9738      18.1427     -90.0262     
1 1 1 11 13 36 o 0 13.8   6.9   ?    ?   267.333  2.51001      26.5653    2.51001      111.003     -177.49      
1 1 1 11 13 37 o 0 12.8   7.5   ?    ?   227.274  122.758      48.8127    122.758      55.4449     -57.2424     
1 1 1 11 14 0  o 0 256.2  24    ?    ?   809.242  -90          474.095    -90          67.429      90           
1 1 1 11 14 1  o 0 216.7  14.5  ?    ?   539.378  2.45457      472.453    2.45457      112.685     2.45457      
1 1 1 11 14 2  o 0 1201.2 83.3  ?    ?   1210.45  -128.455     1211.18    -128.455     406.748     -128.455     
1 1 1 11 14 4  o 0 104.3  8     ?    ?   416.17   82.3818      271.287    82.3818      3.02396     -97.6182     
1 1 1 11 14 5  o 0 694    48.3  ?    ?   1020.6   104.653      840.572    104.653      170.858     104.653      
1 1 1 11 14 6  o 0 666.2  50.3  ?    ?   1134.18  170.827      679.449    170.827      7.52047     -9.17306     
1 1 1 11 14 8  o 0 142.4  10.7  ?    ?   549.872  179.376      270.594    179.376      59.2296     -0.624128    
1 1 1 11 14 9  o 0 169.1  12.5  ?    ?   615.048  -74.0577     290.034    -74.0577     78.1358     105.942      
1 1 1 11 14 10 o 0 750    52.2  ?    ?   1372.93  126.113      607.341    126.113      210.207     -53.887      
1 1 1 11 14 11 o 0 80.9   7.2   ?    ?   239.678  -94.2823     242.074    -94.2823     100.118     -94.2823     
1 1 1 11 14 12 o 0 568.9  43    ?    ?   1345.58  -83.2048     433.199    -83.2048     359.328     96.7952      
1 1 1 11 14 13 o 0 57     6.2   ?    ?   94.6586  104.445      120.902    104.445      65.4708     104.445      
1 1 1 11 14 14 o 0 262    20.6  ?    ?   913.367  -175.406     282.86     -175.406     247.644     4.59405      
1 1 1 11 14 15 o 0 1242.1 101.9 ?    ?   1485.59  119.43       908.165    119.43       50.7107     119.43       
1 1 1 11 14 16 o 0 459.1  39    ?    ?   984.746  16.96        502.323    16.96        62.3194     -163.04      
1 1 1 11 14 17 o 0 46.6   6.5   ?    ?   195.181  -52.3229     135.673    -52.3229     23.2495     -52.3229     
1 1 1 11 14 18 o 0 240.8  19.9  ?    ?   569.854  63.4168      422.814    63.4168      96.9716     63.4168      
1 1 1 11 14 19 o 0 200.6  16.1  ?    ?   760.488  -27.9476     267.397    -27.9476     191.384     152.052      
1 1 1 11 14 20 o 0 528.4  37.7  ?    ?   1112.14  -117.421     513.95     -117.421     158.397     62.5789      
1 1 1 11 14 21 o 0 36.5   6.8   ?    ?   300.38   -138.578     78.8796    -138.578     101.156     41.422       
1 1 1 11 14 22 o 0 23.7   7.6   ?    ?   192.84   -77.8816     56.7745    -77.8816     55.452      102.118      
1 1 1 11 14 23 o 0 283.7  20.9  ?    ?   526.979  -128.056     528.609    -128.056     224.867     -128.056     
1 1 1 11 14 24 o 0 18     6.6   ?    ?   304.621  52.4994      1.24338    52.4994      163.272     -127.501     
1 1 1 11 14 25 o 0 46     9.4   ?    ?   385.862  -86.6804     99.2815    -86.6804     106.879     93.3196      
1 1 1 11 14 26 o 0 100.3  16    ?    ?   382.051  -83.3988     266.267    -83.3988     71.5554     -83.3988     
1 1 1 11 14 27 o 0 74.8   14.2  ?    ?   447.922  -53.4485     172.534    -53.4485     49.9075     126.552      
1 1 1 11 14 28 f 1 92.5   12.1  ?    ?   339.036  -96.4952     265.995    -96.4952     100.159     -96.4952     
1 1 1 11 14 29 o 0 34.7   6.8   ?    ?   175.117  127.397      174.751    127.397      64.7182     127.397      
1 1 1 11 14 30 o 0 -4.2   6.2   ?    ?   108.37   12.434       34.664     -167.566     103.171     -167.566     
1 1 1 11 14 31 o 0 24.3   7.6   ?    ?   216.18   22.2593      106.97     22.2593      28.0155     -157.741     
1 1 1 11 14 32 o 0 4      7.8   ?    ?   59.0091  -94.5227     10.5738    -94.5227     24.9276     85.4773      
1 1 1 11 14 33 o 0 114    11.1  ?    ?   413.683  -169.616     332.904    -169.616     94.7028     -169.616     
1 1 1 11 14 34 o 0 4.5    7     ?    ?   131.182  -0.700828    14.5145    -0.700828    58.9387     179.299      
1 1 1 11 14 35 o 0 9.3    7.6   ?    ?   59.694   91.3749      45.8775    91.3749      14.8731     91.3749      
1 1 1 11 14 36 o 0 41.8   7.7   ?    ?   322.7    74.0453      170.003    74.0453      20.486      74.0453      
1 1 1 11 15 0  o 0 0.9    3.7   ?    ?   188.48   90           5.20469    90           110.613     -90          
1 1 1 11 15 1  o 0 303    21.4  ?    ?   814.426  -161.565     423.655    -161.565     75.3991     18.4354      
1 1 1 11 15 2  o 0 565.2  37.1  ?    ?   960.214  -66.9957     680.509    -66.9957     94.0145     -66.9957     
1 1 1 11 15 3  o 0 288.4  19.2  ?    ?   520.039  73.5398      563.398    73.5398      246.899     73.5398      
1 1 1 11 15 4  o 0 177    13    ?    ?   531.306  115.222      357.272    115.222      35.1759     115.222      
1 1 1 11 15 5  f 1 104.5  8.8   ?    ?   512.343  85.9202      201.01     85.9202      107.503     -94.0798     
1 1 1 11 15 6  o 0 980.7  80.5  ?    ?   1406.99  54.3874      796.509    54.3874      51.7624     -125.613     
1 1 1 11 15 7  o 0 2440.1 182.3 ?    ?   1786.43  31.0007      1493.32    31.0007      421.232     31.0007      
1 1 1 11 15 8  o 0 243.3  17.5  ?    ?   762.437  -173.652     344.372    -173.652     110.995     6.34801      
1 1 1 11 15 9  o 0 81     7.1   ?    ?   255.518  78.9749      240.125    78.9749      88.2754     78.9749      
1 1 1 11 15 10 o 0 1254.5 93.8  ?    ?   1581.24  174.454      889.538    174.454      45.3107     -5.54592     
1 1 1 11 15 11 o 0 545.6  41.4  ?    ?   990.78   170.11       610.113    170.11       27.4933     170.11       
1 1 1 11 15 12 o 0 17.6   4.3   ?    ?   79.3012  -11.3364     5.2506     -11.3364     41.0216     168.664      
1 1 1 11 15 13 o 0 6.7    4     ?    ?   168.251  -61.5933     57.983     118.407      155.587     118.407      
1 1 1 11 15 14 o 0 22.5   4.7   ?    ?   163.876  -156.215     25.4649    -156.215     69.0235     23.7851      
1 1 1 11 15 15 o 0 241.6  19.7  ?    ?   382.791  164.531      522.89     164.531      303.582     164.531      
1 1 1 11 15 16 o 0 337.5  26.8  ?    ?   681.216  9.85738      509.271    9.85738      117.127     9.85738      
1 1 1 11 15 17 o 0 36.4   6.4   ?    ?   181.258  112.954      93.7549    112.954      9.85385     -67.046      
1 1 1 11 15 18 o 0 191.5  21.5  ?    ?   388.484  28.371       450.561    28.371       216.212     28.371       
1 1 1 11 15 19 o 0 329.8  24.8  ?    ?   770.808  169.542      464.696    169.542      1.41617     -10.4584     
1 1 1 11 15 20 o 0 932.7  65.5  ?    ?   1283     -148.693     790.733    -148.693     21.2934     -148.693     
1 1 1 11 15 21 o 0 54.9   7.6   ?    ?   324.373  -117.712     150.634    -117.712     38.3241     62.2883      
1 1 1 11 15 22 o 0 16.5   6.1   ?    ?   48.3707  -115.937     10.6322    -115.937     17.2861     64.0626      
1 1 1 11 15 23 o 0 77.1   10.1  ?    ?   447.532  110.098      174.383    110.098      67.7498     -69.902      
1 1 1 11 15 24 o 0 104.9  13.4  ?    ?   364.15   135.294      282.349    135.294      87.3486     135.294      
1 1 1 11 15 25 o 0 165.4  18.6  ?    ?   653.808  -119.951     280.994    -119.951     53.1334     60.0493      
1 1 1 11 15 26 o 0 -1.2   6.7   ?    ?   90.9541  137.035      21.8885    -42.9646     67.2042     -42.9646     
1 1 1 11 15 27 o 0 40     8.5   ?    ?   296.653  -171.631     124.379    -171.631     21.6526     8.36901      
1 1 1 11 15 28 o 0 55.3   8.5   ?    ?   283.491  -158.292     223.507    -158.292     44.603      -158.292     
1 1 1 11 15 29 o 0 118    11    ?    ?   365.202  -14.166      377.674    -14.166      145.668     -14.166      
1 1 1 11 15 30 o 0 5.6    6     ?    ?   120.778  -86.0999     1.38549    -86.0999     74.4476     93.9001      
1 1 1 11 15 31 o 0 17.9   6.8   ?    ?   53.0228  -106.973     70.5921    -106.973     38.4957     -106.973     
1 1 1 11 15 32 o 0 26.6   8.1   ?    ?   174.754  34.6216      142.594    34.6216      41.2855     34.6216      
1 1 1 11 15 33 o 0 54.7   9.1   ?    ?   326.228  -176.106     194.751    -176.106     8.61578     -176.106     
1 1 1 11 15 34 f 1 -1.5   6.6   ?    ?   81.1076  -137.537     3.95156    42.4633      48.8361     42.4633      
1 1 1 11 15 35 o 0 13.9   8.1   ?    ?   139.621  -16.2266     88.0196    -16.2266     22.7599     -16.2266     
1 1 1 11 16 0  o 0 90.1   9.9   ?    ?   299.5    90           246.207    90           63.5139     90           
1 1 1 11 16 1  o 0 813.5  56.5  ?    ?   1363.62  -178.008     686.539    -178.008     143.29      1.99222      
1 1 1 11 16 2  o 0 110.2  8.7   ?    ?   678.809  -40.7577     123.695    -40.7577     288.23      139.242      
1 1 1 11 16 3  o 0 453    29.9  ?    ?   903.432  -68.5241     570.788    -68.5241     24.3159     -68.5241     
1 1 1 11 16 4  o 0 9      3.2   ?    ?   43.3311  -94.3102     11.9396    85.6898      38.0565     85.6898      
1 1 1 11 16 5  o 0 194    14.3  ?    ?   645.279  -84.9488     323.288    -84.9488     64.1322     95.0512      
1 1 1 11 16 6  o 0 1552.5 116.1 ?    ?   1910.26  38.1479      909.33     38.1479      232.811     -141.852     
1 1 1 11 16 7  o 0 938.6  65.4  ?    ?   1330.62  62.6238      799.327    62.6238      7.25162     62.6238      
1 1 1 11 16 8  o 0 3.8    3.3   ?    ?   418.286  -91.3408     193.509    88.6592      441.345     88.6592      
1 1 1 11 16 9  o 0 170.8  13.9  ?    ?   404.607  164.495      395.956    164.495      157.393     164.495      
1 1 1 11 16 10 o 0 109.6  9.7   ?    ?   623.703  9.20166      149.406    9.20166      215.677     -170.798     
1 1 1 11 16 11 o 0 982.8  68.3  ?    ?   1073.85  131.153      964.964    131.153      339.745     131.153      
1 1 1 11 16 12 o 0 19.9   3.9   ?    ?   127.727  -106.551     14.4841    -106.551     59.4664     73.4489      
1 1 1 11 16 13 o 0 50.6   5.4   ?    ?   348.696  -160.371     107.673    -160.371     93.0321     19.6287      
1 1 1 11 16 14 f 1 159.5  11.8  ?    ?   605.539  -77.626      264.665    -77.626      84.8326     102.374      
1 1 1 11 16 15 o 0 149.4  12.1  ?    ?   725.776  -128.668     176.698    -128.668     240.571     51.3319      
1 1 1 11 16 16 o 0 503.7  38.8  ?    ?   1036.25  104.481      542.543    104.481      86.594      -75.5187     
1 1 1 11 16 17 o 0 9      6.4   ?    ?   261.42   -83.3097     69.0256    96.6903      228.236     96.6903      
1 1 1 11 16 18 f 1 231.1  18.4  ?    ?   347.206  -154.221     542.663    -154.221     333.336     -154.221     
1 1 1 11 16 19 o 0 106.7  11    ?    ?   574.317  150.012      166.222    150.012      178.168     -29.9879     
1 1 1 11 16 20 o 0 328.4  29.9  ?    ?   864.616  60.2083      409.513    60.2083      94.2714     -119.792     
1 1 1 11 16 21 o 0 64.8   8.6   ?    ?   337.665  35.5587      176.045    35.5587      18.9645     -144.441     
1 1 1 11 16 22 o 0 1.3    6.3   ?    ?   159.839  -138.216     47.7381    41.7838      134.304     41.7838      
1 1 1 11 16 23 o 0 154.8  15.6  ?    ?   389.436  36.872       391.396    36.872       189.914     36.872       
1 1 1 11 16 24 o 0 79.8   9.5   ?    ?   381.58   -119.57      218.298    -119.57      22.9247     -119.57      
1 1 1 11 16 25 o 0 64.8   9.3   ?    ?   388.536  61.5106      174.516    61.5106      19.5197     -118.489     
1 1 1 11 16 26 o 0 3.7    6.3   ?    ?   126.347  17.1324      19.985     -162.868     82.3587     -162.868     
1 1 1 11 16 27 o 0 113    12.9  ?    ?   365.462  45.4065      367.916    45.4065      136.5       45.4065      
1 1 1 11 16 28 o 0 71     9.4   ?    ?   341.932  116.876      249.272    116.876      31.1943     116.876      
1 1 1 11 16 29 o 0 77.6   8.5   ?    ?   391.264  174.164      241.877    174.164      4.8926      -5.83606     
1 1 1 11 16 30 o 0 5.8    6     ?    ?   139.963  -125.528     1.98703    54.4719      89.0348     54.4719      
1 1 1 11 16 31 o 0 57.7   8     ?    ?   367.958  169.117      184.761    169.117      35.8562     -10.8834     
1 1 1 11 16 32 o 0 10.6   6.1   ?    ?   232.875  94.4696      9.93226    94.4696      123.778     -85.5304     
1 1 1 11 16 33 o 0 63.3   11.4  ?    ?   347.028  -17.2581     209.868    -17.2581     15.9888     -17.2581     
1 1 1 11 16 34 o 0 15     9.8   ?    ?   141.998  120.893      78.4138    120.893      4.7807      120.893      
1 1 1 11 16 35 o 0 3.1    6.9   ?    ?   99.6184  90.6488      33.299     90.6488      12.8124     -89.3512     
1 1 1 11 17 0  o 0 22.9   5.4   ?    ?   298.632  -90          94.4217    -90          85.7485     90           
1 1 1 11 17 1  o 0 119.2  8.9   ?    ?   416.278  6.38455      284.299    6.38455      33.643      6.38455      
1 1 1 11 17 2  o 0 626.3  41    ?    ?   961.191  121.579      730.093    121.579      152.734     121.579      
1 1 1 11 17 3  f 1 1010.1 65.6  ?    ?   1302.42  -135.233     883.339    -135.233     105.26      -135.233     
1 1 1 11 17 4  o 0 75.4   7.2   ?    ?   311.422  -34.2211     207.347    -34.2211     21.4265     -34.2211     
1 1 1 11 17 5  o 0 703.3  49.1  ?    ?   1242.01  -118.178     636.154    -118.178     102.666     61.8221      
1 1 1 11 17 6  f 1 259.1  20.8  ?    ?   404.768  175.526      558.793    175.526      320.089     175.526      
1 1 1 11 17 7  o 0 606    42.6  ?    ?   841.865  62.383       763.108    62.383       267.449     62.383       
1 1 1 11 17 8  o 0 165.5  13.6  ?    ?   490.322  -1.15977     344.067    -1.15977     56.6793     -1.15977     
1 1 1 11 17 9  o 0 30.7   4.8   ?    ?   223.754  60.74        60.5969    60.74        69.9266     -119.26      
1 1 1 11 17 10 o 0 323.6  27.1  ?    ?   825.358  -0.205045    423.217    -0.205045    55.8232     179.795      
1 1 1 11 17 11 f 1 306.9  23.5  ?    ?   800.142  -63.74       412.681    -63.74       48.078      116.26       
1 1 1 11 17 12 o 0 23.9   4.2   ?    ?   168.716  -64.805      38.9695    -64.805      59.0094     115.195      
1 1 1 11 17 13 o 0 20.8   4.2   ?    ?   184.088  71.7737      22.1769    71.7737      84.1018     -108.226     
1 1 1 11 17 14 o 0 32.5   5.5   ?    ?   243.817  -82.5699     74.5102    -82.5699     74.2248     97.4301      
1 1 1 11 17 15 o 0 15.7   4.2   ?    ?   172.049  110.924      3.23878    110.924      102.11      -69.0762     
1 1 1 11 17 16 o 0 370.7  27    ?    ?   906.364  114.678      445.061    114.678      106.119     -65.3217     
1 1 1 11 17 17 o 0 33.9   5     ?    ?   272.989  -35.1967     78.0987    -35.1967     86.7125     144.803      
1 1 1 11 17 18 o 0 65     6.9   ?    ?   318.706  125.16       188.993    125.16       1.88903     125.16       
1 1 1 11 17 19 o 0 149.8  13.4  ?    ?   540.392  -19.508      291.059    -19.508      23.6411     160.492      
1 1 1 11 17 20 o 0 57.9   7.9   ?    ?   438.198  -26.1335     121.297    -26.1335     118.212     153.866      
1 1 1 11 17 21 o 0 73.1   9.2   ?    ?   340.582  62.4171      212.371    62.4171      27.8822     62.4171      
1 1 1 11 17 22 o 0 0.5    6.4   ?    ?   166.15   -118.453     45.4808    61.5467      131.493     61.5467      
1 1 1 11 17 23 o 0 4.3    6.7   ?    ?   260.697  -14.4682     59.1333    165.532      192.749     165.532      
1 1 1 11 17 24 o 0 354.4  31.3  ?    ?   831.586  -8.00073     483.733    -8.00073     67.827      -8.00073     
1 1 1 11 17 25 f 1 18.5   6.3   ?    ?   82.6846  -34.1414     44.6877    -34.1414     3.89458     -34.1414     
1 1 1 11 17 26 o 0 6.7    6     ?    ?   91.35    13.1992      1.85547    -166.801     59.8406     -166.801     
1 1 1 11 17 27 o 0 64.5   8.6   ?    ?   382.531  -118.873     203.929    -118.873     40.7626     61.1269      
1 1 1 11 17 28 o 0 179.3  16    ?    ?   580.648  156.278      388.302    156.278      20.809      156.278      
1 1 1 11 17 29 o 0 91.8   10.1  ?    ?   347.363  89.7027      306.818    89.7027      89.9067     89.7027      
1 1 1 11 17 30 o 0 37.4   7.9   ?    ?   271.423  33.2077      152.237    33.2077      11.2532     -146.792     
1 1 1 11 17 31 f 1 13.1   6.5   ?    ?   169.156  -127.784     53.7092    -127.784     43.6714     52.2156      
1 1 1 11 17 32 o 0 5.4    6     ?    ?   122.733  93.8279      16.1727    93.8279      52.796      -86.1721     
1 1 1 11 17 33 f 1 116.8  11.9  ?    ?   666.25   25.6186      215.746    25.6186      131.076     -154.381     
1 1 1 11 17 34 o 0 11.4   7     ?    ?   105.884  -152.36      78.3879    -152.36      29.0284     -152.36      
1 1 1 11 18 0  o 0 3.9    5.2   ?    ?   6.12786  90           0.350138   90           3.29621     -90          
1 1 1 11 18 1  o 0 160.2  11.5  ?    ?   674.009  -17.0069     239.578    -17.0069     160.855     162.993      
1 1 1 11 18 2  o 0 644    42.2  ?    ?   1276.54  171.347      558.77     171.347      198.057     -8.65329     
1 1 1 11 18 3  o 0 333.7  24.1  ?    ?   897.507  60.741       405.913    60.741       124.85      -119.259     
1 1 1 11 18 4  f 1 35.6   4.8   ?    ?   177.939  86.8145      85.7954    86.8145      18.8537     -93.1855     
1 1 1 11 18 5  o 0 48.3   5.6   ?    ?   503.137  48.0494      29.3443    48.0494      266.336     -131.951     
1 1 1 11 18 6  o 0 284.2  24.1  ?    ?   865.856  -75.159      346.076    -75.159      160.892     104.841      
1 1 1 11 18 7  o 0 122    11.3  ?    ?   652.533  -94.6471     163.059    -94.6471     217.473     85.3529      
1 1 1 11 18 8  o 0 100.1  9.2   ?    ?   541.788  102.143      167.293    102.143      147.29      -77.8573     
1 1 1 11 18 9  o 0 211    16.9  ?    ?   546.963  22.4194      394.387    22.4194      74.6269     22.4194      
1 1 1 11 18 10 o 0 261.3  19    ?    ?   792.962  160.132      342.018    160.132      119.266     -19.8678     
1 1 1 11 18 11 f 1 688.3  45.4  ?    ?   921.858  -24.6293     774.63     -24.6293     242.546     -24.6293     
1 1 1 11 18 12 o 0 123.8  11    ?    ?   228.553  49.0531      377.178    49.0531      237.341     49.0531      
1 1 1 11 18 13 o 0 2.9    4.1   ?    ?   170.553  -130.141     74.0238    49.8587      178.833     49.8587      
1 1 1 11 18 14 o 0 63.2   6.8   ?    ?   333.381  115.717      169.864    115.717      33.736      -64.2835     
1 1 1 11 18 15 o 0 95     9     ?    ?   209.178  21.2373      307.805    21.2373      180.894     21.2373      
1 1 1 11 18 16 o 0 19.1   4.6   ?    ?   283.584  -25.9596     7.11854    -25.9596     160.307     154.04       
1 1 1 11 18 17 o 0 14.6   4.2   ?    ?   192.353  59.5817      4.36733    59.5817      108.367     -120.418     
1 1 1 11 18 18 o 0 33     6.8   ?    ?   287.192  15.3423      78.0938    15.3423      88.9265     -164.658     
1 1 1 11 18 19 o 0 64.9   7.1   ?    ?   299.927  -63.6898     206.656    -63.6898     42.8884     -63.6898     
1 1 1 11 18 20 o 0 49     6.7   ?    ?   256.84   161.451      166.065    161.451      27.028      161.451      
1 1 1 11 18 21 o 0 7.4    6.7   ?    ?   127.507  125.63       10.3607    -54.3705     76.3513     -54.3705     
1 1 1 11 18 22 o 0 19.3   5.5   ?    ?   336.392  77.6817      10.0734    77.6817      162.364     -102.318     
1 1 1 11 18 23 o 0 93.2   9.5   ?    ?   441.22   -88.4792     231.081    -88.4792     10.2836     -88.4792     
1 1 1 11 18 24 o 0 43.7   9.4   ?    ?   445.286  -48.2542     69.0002    -48.2542     161.658     131.746      
1 1 1 11 18 25 o 0 -4.4   10.5  ?    ?   167.753  -157.886     34.3239    22.114       140.966     22.114       
1 1 1 11 18 26 o 0 2.5    6.6   ?    ?   53.1499  45.3074      3.67064    -134.693     37.7363     -134.693     
1 1 1 11 18 27 o 0 0.9    5.9   ?    ?   103.434  100.751      18.0307    -79.2489     83.6581     -79.2489     
1 1 1 11 18 28 o 0 34.6   7.4   ?    ?   357.736  -116.867     88.9759    -116.867     135.09      63.1332      
1 1 1 11 18 29 o 0 26.1   7.4   ?    ?   107.973  -18.7351     152.001    -18.7351     86.731      -18.7351     
1 1 1 11 18 30 o 0 13.2   7.2   ?    ?   56.0465  127.781      49.2742    127.781      16.7916     127.781      
1 1 1 11 18 31 o 0 35.7   7.3   ?    ?   299.916  44.8521      135.872    44.8521      33.4619     -135.148     
1 1 1 11 18 32 o 0 12     6.7   ?    ?   134.001  -30.0569     66.297     -30.0569     4.01109     149.943      
1 1 1 11 18 33 o 0 23     7.2   ?    ?   172.394  -135.529     137.042    -135.529     56.1992     -135.529     
1 1 1 11 19 0  f 1 5.7    5.8   ?    ?   183.191  90           13.4693    90           93.9247     -90          
1 1 1 11 19 1  o 0 173    12.5  ?    ?   515.692  44.603       346.9      44.603       44.1696     44.603       
1 1 1 11 19 2  o 0 580.8  38.3  ?    ?   1171.33  156.827      540.34     156.827      154.003     -23.1729     
1 1 1 11 19 3  o 0 326    23.6  ?    ?   803.073  77.6273      439.605    77.6273      35.3889     -102.373     
1 1 1 11 19 4  o 0 17.8   4.7   ?    ?   183.969  -131.049     6.35428    -131.049     102.169     48.9507      
1 1 1 11 19 5  o 0 266.6  21.1  ?    ?   726.65   107.66       390.84     107.66       36.4981     -72.34       
1 1 1 11 19 6  o 0 572.4  43.5  ?    ?   1037.92  -101.495     598.788    -101.495     9.49967     78.5048      
1 1 1 11 19 7  o 0 101.6  9.6   ?    ?   380.007  -78.5703     250.04     -78.5704     28.1821     -78.5704     
1 1 1 11 19 8  o 0 48.6   6.2   ?    ?   423.484  34.5857      73.4197    34.5857      188.353     -145.414     
1 1 1 11 19 9  o 0 151.3  12.8  ?    ?   586.11   -149.914     273.143    -149.914     87.5229     30.086       
1 1 1 11 19 10 o 0 369    26.8  ?    ?   612.035  -118.674     624.495    -118.674     245.83      -118.674     
1 1 1 11 19 11 o 0 261.2  19.8  ?    ?   754.174  -16.1072     377.194    -16.1072     86.9967     163.893      
1 1 1 11 19 12 o 0 31     4.8   ?    ?   114.948  70.5701      75.5182    70.5701      5.15853     70.5701      
1 1 1 11 19 13 o 0 17.6   4.5   ?    ?   84.6117  31.7936      15.0154    31.7936      36.472      -148.206     
1 1 1 11 19 14 f 1 40     5.8   ?    ?   390.061  80.884       65.5165    80.884       165.024     -99.116      
1 1 1 11 19 15 o 0 119.2  12.7  ?    ?   356.957  168.817      320.105    168.817      109.978     168.817      
1 1 1 11 19 16 o 0 111.8  10.6  ?    ?   422.647  -77.6056     268.154    -77.6056     21.0913     -77.6056     
1 1 1 11 19 17 o 0 22.5   4.7   ?    ?   67.2118  62.9181      44.1694    62.9181      7.25243     62.9181      
1 1 1 11 19 18 o 0 73.2   7.5   ?    ?   379.887  -72.801      197.115    -72.801      9.91939     107.199      
1 1 1 11 19 19 o 0 42.6   6.1   ?    ?   303.591  118.373      134.019    118.373      24.2946     -61.6274     
1 1 1 11 19 20 f 1 110.8  10.4  ?    ?   257.389  53.0427      350.775    53.0427      218.06      53.0427      
1 1 1 11 19 21 o 0 20.4   5.3   ?    ?   191.858  -84.7543     69.1102    -84.7543     27.8012     95.2457      
1 1 1 11 19 22 o 0 13.5   5.1   ?    ?   199.042  72.7594      20.3769    72.7594      79.1951     -107.241     
1 1 1 11 19 23 o 0 11     5.5   ?    ?   141.478  -163.757     16.942     -163.757     56.3508     16.2433      
1 1 1 11 19 24 o 0 137.9  15.5  ?    ?   343.752  102.936      444.988    102.936      226.343     102.936      
1 1 1 11 19 25 o 0 18.1   9.8   ?    ?   103.284  -35.4229     80.7362    -35.4229     14.47       -35.4229     
1 1 1 11 19 26 o 0 7.3    7.4   ?    ?   161.636  -149.759     8.09354    -149.759     94.6169     30.2412      
1 1 1 11 19 27 o 0 19     12.8  ?    ?   137.853  159.939      93.6691    159.939      9.032       159.939      
1 1 1 11 19 28 o 0 54.4   8.2   ?    ?   348.085  -41.1455     184.633    -41.1455     26.3209     138.855      
1 1 1 11 19 29 o 0 52     7.3   ?    ?   203.497  -57.3746     252.51     -57.3746     134.205     -57.3746     
1 1 1 11 19 30 o 0 9.7    5.8   ?    ?   174.946  -173.464     31.6017    -173.464     67.5339     6.53572      
1 1 1 11 19 31 o 0 7.2    6.3   ?    ?   122.471  151.605      36.4404    151.605      28.0902     -28.395      
1 1 1 11 19 32 o 0 40.3   7.6   ?    ?   218.02   -25.2652     210.928    -25.2652     108.196     -25.2652     
1 1 1 11 20 0  o 0 4.8    6.4   ?    ?   63.664   -90          5.03674    -90          34.6843     90           
1 1 1 11 20 1  o 0 25.3   4.8   ?    ?   461.467  26.0755      53.444     -153.925     341.111     -153.925     
1 1 1 11 20 2  o 0 105.3  9.9   ?    ?   689.506  41.3596      105.467    41.3596      323.75      -138.64      
1 1 1 11 20 3  o 0 66     7.4   ?    ?   528.015  167.033      80.9699    167.033      247.093     -12.9667     
1 1 1 11 20 4  o 0 25.6   5.4   ?    ?   347.908  -26.0341     3.06647    -26.0341     212.581     153.966      
1 1 1 11 20 5  o 0 54.7   6.2   ?    ?   333.508  60.0331      139.468    60.0331      66.6729     -119.967     
1 1 1 11 20 6  o 0 165    14    ?    ?   398.042  50.6135      406.005    50.6135      158.238     50.6135      
1 1 1 11 20 7  o 0 38.7   6.3   ?    ?   100.98   15.879       100.014    15.879       37.3855     15.879       
1 1 1 11 20 8  o 0 23.5   6.5   ?    ?   251.523  -73.9308     31.9008    -73.9308     123.471     106.069      
1 1 1 11 20 9  o 0 45.7   6     ?    ?   158.748  -116.863     148.463    -116.863     50.8301     -116.863     
1 1 1 11 20 10 f 1 63.6   6.4   ?    ?   391.205  -107.697     144.427    -107.697     94.4165     72.3033      
1 1 1 11 20 11 o 0 77.1   7.4   ?    ?   356.362  -107.478     212.859    -107.478     0.20803     -107.478     
1 1 1 11 20 12 o 0 116.4  9.8   ?    ?   400.497  102.101      295.408    102.101      57.7266     102.101      
1 1 1 11 20 13 o 0 39     7     ?    ?   422.313  25.9762      43.9115    25.9762      205.253     -154.024     
1 1 1 11 20 14 o 0 27.2   7     ?    ?   253.746  13.9208      61.7883    13.9208      86.992      -166.079     
1 1 1 11 20 15 o 0 19.5   6.2   ?    ?   173.023  46.2247      49.2356    46.2247      46.161      -133.775     
1 1 1 11 20 16 o 0 135.6  12.3  ?    ?   492.421  -133.636     301.09     -133.636     31.4931     -133.636     
1 1 1 11 20 17 o 0 5      6.3   ?    ?   142.744  -74.0494     24.5513    105.951      99.3905     105.951      
1 1 1 11 20 18 f 1 27.7   8.1   ?    ?   173.198  17.3454      100.349    17.3454      10.4867     17.3454      
1 1 1 11 20 19 o 0 53     8.5   ?    ?   276.593  -35.9806     178.852    -35.9806     36.1664     -35.9806     
1 1 1 11 20 20 o 0 41.5   5.1   ?    ?   276.997  -157.882     143.744    -157.882     4.0642      -157.882     
1 1 1 11 20 21 o 0 2.7    3.4   ?    ?   166.239  165.813      47.162     -14.1867     134.053     -14.1867     
1 1 1 11 20 22 o 0 18.2   4.1   ?    ?   186.545  167.169      76.5863    167.169      43.2428     -12.8307     
1 1 1 11 20 23 o 0 111.7  11.4  ?    ?   271.718  31.0233      420.211    31.0233      243.979     31.0233      
1 1 1 11 20 24 o 0 55.1   7.4   ?    ?   349.931  29.7556      188.424    29.7556      36.0975     -150.244     
1 1 1 11 20 25 o 0 24     6.2   ?    ?   101.792  114.497      136.22     114.497      71.5036     114.497      
1 1 1 11 20 26 o 0 23.8   6.2   ?    ?   220.885  155.632      110.724    155.632      25.0284     -24.3676     
1 1 1 11 20 27 o 0 13.4   9.1   ?    ?   180.037  -165.849     52.3553    -165.849     53.9047     14.1512      
1 1 1 11 20 28 o 0 100    12.1  ?    ?   307.481  -29.0181     352.691    -29.0181     173.57      -29.0181     
1 1 1 11 20 29 o 0 21.1   5.5   ?    ?   106.914  32.4398      135.878    32.4398      75.1375     32.4398      
1 1 1 11 20 30 o 0 3      6.9   ?    ?   116.86   -144.08      17.2462    -144.08      44.5214     35.9196      
1 1 1 11 20 31 o 0 13.2   5.8   ?    ?   84.3148  98.1966      95.1604    98.1965      55.2833     98.1965      
1 1 1 11 21 0  o 0 13.8   6.7   ?    ?   29.5515  -90          7.37229    -90          11.001      90           
1 1 1 11 21 1  o 0 134.9  11.3  ?    ?   372.167  -21.2192     352.483    -21.2192     121.218     -21.2192     
1 1 1 11 21 2  o 0 216.6  17.9  ?    ?   581.257  -48.2819     403.926    -48.2819     43.1277     -48.2819     
1 1 1 11 21 3  o 0 242.3  19.8  ?    ?   354.161  -104.629     571.778    -104.629     352.297     -104.629     
1 1 1 11 21 4  o 0 7.4    5.1   ?    ?   79.876   93.2606      21.8322    -86.7394     71.229      -86.7394     
1 1 1 11 21 5  f 1 16.3   5.6   ?    ?   180.342  -81.8075     2.00191    -81.8075     108.953     98.1925      
1 1 1 11 21 6  f 1 172.4  14.8  ?    ?   462.185  174.854      382.766    174.854      99.2644     174.854      
1 1 1 11 21 7  o 0 69.3   8.1   ?    ?   486.296  -9.46246     112.325    -9.46246     185.709     170.538      
1 1 1 11 21 8  o 0 40.9   6     ?    ?   281.948  -150.236     118.426    -150.236     50.2432     29.7636      
1 1 1 11 21 9  o 0 7.4    4.2   ?    ?   122.177  -79.4495     28.7248    100.55       101.504     100.55       
1 1 1 11 21 10 o 0 131.4  10.5  ?    ?   284.432  168.98       385.001    168.98       216.353     168.98       
1 1 1 11 21 11 o 0 155    13.1  ?    ?   427.042  54.5909      366.149    54.5909      114.214     54.5909      
1 1 1 11 21 12 o 0 40.5   7.1   ?    ?   212.621  24.6313      148.87     24.6313      30.7759     24.6313      
1 1 1 11 21 13 o 0 6.4    4.5   ?    ?   47.4364  5.9308       8.99824    -174.069     35.1925     -174.069     
1 1 1 11 21 14 o 0 35.3   7.5   ?    ?   286.852  -71.726      101.498    -71.726      55.9196     108.274      
1 1 1 11 21 15 o 0 29.1   6.6   ?    ?   252.458  -132.872     93.7534    -132.872     39.0258     47.1285      
1 1 1 11 21 16 o 0 18.5   6.4   ?    ?   115.935  107.962      46.5189    107.962      14.0283     -72.0377     
1 1 1 11 21 17 o 0 12.9   6.8   ?    ?   14.6206  159.904      3.02088    159.904      4.55791     -20.0961     
1 1 1 11 21 18 o 0 26.6   7.4   ?    ?   217.203  152.19       95.695     152.19       14.457      -27.8101     
1 1 1 11 21 19 o 0 94.3   13.5  ?    ?   373.632  -99.0356     261.083    -99.0356     73.1807     -99.0356     
1 1 1 11 21 20 o 0 172.9  17.6  ?    ?   622.225  -19.9771     298.918    -19.9771     25.5688     160.023      
1 1 1 11 21 21 o 0 5.6    7.5   ?    ?   120.422  -41.0246     5.67115    138.975      82.882      138.975      
1 1 1 11 21 22 o 0 28.1   6     ?    ?   129.129  -22.6839     160.735    -22.6839     77.102      -22.6839     
1 1 1 11 21 23 o 0 6.6    4     ?    ?   173.339  -31.4087     12.4897    148.591      123.844     148.591      
1 1 1 11 21 24 o 0 32.7   6     ?    ?   244.208  25.9032      145.742    25.9032      9.44182     -154.097     
1 1 1 11 21 25 o 0 19.6   5.1   ?    ?   243.902  149.577      75.3492    149.577      74.5476     -30.4227     
1 1 1 11 21 26 o 0 7.2    6.1   ?    ?   98.7329  166.798      23.9337    166.798      34.3675     -13.202      
1 1 1 11 21 27 o 0 33.7   7     ?    ?   214.854  172.567      171.901    172.567      48.0327     172.567      
1 1 1 11 21 28 o 0 23.5   9     ?    ?   228.166  123.974      93.3187    123.974      36.506      -56.0261     
1 1 1 11 21 29 o 0 4.8    8.6   ?    ?   209.962  58.0162      4.91703    58.0162      106.289     -121.984     
1 1 1 11 21 30 o 0 -5.6   7.4   ?    ?   85.9672  -66.9282     9.70543    -66.9282     31.0595     113.072      
1 1 1 11 22 0  o 0 7.5    7.4   ?    ?   84.9088  90           11.4796    90           39.504      -90          
1 1 1 11 22 1  o 0 131.8  13.5  ?    ?   501.043  -136.135     281.035    -136.135     19.7458     43.8649      
1 1 1 11 22 2  o 0 792    60.2  ?    ?   1410.62  -91.4762     618.519    -91.4762     227.612     88.5238      
1 1 1 11 22 3  o 0 108.2  13.7  ?    ?   425.989  95.5477      262.679    95.5477      7.49854     95.5477      
1 1 1 11 22 4  o 0 9.5    4.8   ?    ?   154.229  86.1486      24.7096    -93.8514     116.927     -93.8514     
1 1 1 11 22 5  o 0 10.8   4.8   ?    ?   162.296  -134.827     18.2553    45.1732      115.07      45.1732      
1 1 1 11 22 6  o 0 6.2    4.6   ?    ?   107.764  -104.742     29.3877    75.2577      93.493      75.2577      
1 1 1 11 22 7  f 1 14.8   5.7   ?    ?   128.963  -14.3811     9.92766    -14.3811     66.343      165.619      
1 1 1 11 22 8  o 0 30.7   5.7   ?    ?   384.582  156.054      41.3965    156.054      173.664     -23.9464     
1 1 1 11 22 9  o 0 21.8   5     ?    ?   74.9951  42.3053      45.9663    42.3053      4.20059     42.3053      
1 1 1 11 22 10 o 0 68.8   6.9   ?    ?   489.069  107.533      134.115    107.533      137.023     -72.4671     
1 1 1 11 22 11 o 0 25.5   4.6   ?    ?   217.801  -150.193     77.1577    -150.193     42.9949     29.8067      
1 1 1 11 22 12 o 0 15.1   4.5   ?    ?   198.317  -29.9687     28.4314    -29.9687     76.5549     150.031      
1 1 1 11 22 13 o 0 6.1    6.4   ?    ?   159.968  139.698      23.455     -40.3024     107.652     -40.3024     
1 1 1 11 22 14 o 0 39.6   6.7   ?    ?   411.218  84.8784      75.8031    84.8784      139.3       -95.1216     
1 1 1 11 22 15 f 1 304    25.2  ?    ?   732.263  9.15854      480.794    9.15854      106.525     9.15854      
1 1 1 11 22 16 o 0 10.7   6.7   ?    ?   106.258  147.329      12.0684    147.329      41.9988     -32.6706     
1 1 1 11 22 17 o 0 -6.6   9     ?    ?   58.944   119.583      13.6975    -60.4172     43.4657     -60.4172     
1 1 1 11 22 18 o 0 17.1   6.9   ?    ?   192.816  120.73       47.0737    120.73       53.9928     -59.2699     
1 1 1 11 22 19 o 0 111.6  12.4  ?    ?   407.826  -179.17      346.579    -179.17      83.5168     -179.17      
1 1 1 11 22 20 f 1 238.4  23.6  ?    ?   501.245  -172.033     565.46     -172.033     239.395     -172.033     
1 1 1 11 22 21 o 0 2.2    10.6  ?    ?   183.963  7.73143      10.2188    -172.269     129.075     -172.269     
1 1 1 11 22 22 o 0 35.8   8.8   ?    ?   282.446  -146.847     137.584    -146.847     43.5001     33.153       
1 1 1 11 22 23 o 0 89.9   15.7  ?    ?   257.778  -123.143     347.284    -123.143     187.284     -123.143     
1 1 1 11 22 24 o 0 25.1   5.4   ?    ?   189.727  -114.626     133.789    -114.626     17.3104     -114.626     
1 1 1 11 22 25 o 0 21.3   4.7   ?    ?   64.8936  109.533      116.105    109.533      77.8073     109.533      
1 1 1 11 22 26 o 0 28.5   5.6   ?    ?   185.84   -44.645      160.638    -44.645      53.505      -44.645      
1 1 1 11 22 27 o 0 3.2    5     ?    ?   121.194  27.5956      7.59998    27.5956      57.5079     -152.404     
1 1 1 11 22 28 o 0 86.2   12.9  ?    ?   462.353  39.5206      232.648    39.5206      12.4748     -140.479     
1 1 1 11 22 29 f 1 11.1   5.6   ?    ?   242.006  122.878      36.742     122.878      77.8932     -57.1223     
1 1 1 11 23 0  o 0 8.3    10.9  ?    ?   127.698  -90          21.6234    -90          49.858      90           
1 1 1 11 23 1  o 0 95.1   12.4  ?    ?   390.378  146.466      258.264    146.466      39.7294     146.466      
1 1 1 11 23 2  o 0 127.6  13.1  ?    ?   220.803  -97.5437     409.006    -97.5437     285.464     -97.5437     
1 1 1 11 23 3  f 1 120.7  12.6  ?    ?   584.12   -146.569     226.063    -146.569     99.5719     33.4315      
1 1 1 11 23 4  o 0 46.4   6.1   ?    ?   276.092  113.696      154.902    113.696      0.835253    113.696      
1 1 1 11 23 5  o 0 66.2   7.1   ?    ?   368.617  150.184      184.917    150.184      20.3496     -29.8157     
1 1 1 11 23 6  o 0 548.4  42.6  ?    ?   802.207  167.524      740.24     167.524      294.682     167.524      
1 1 1 11 23 7  o 0 105.4  13.5  ?    ?   519.436  -75.6376     217.59     -75.6376     70.0314     104.362      
1 1 1 11 23 8  o 0 61.4   8.3   ?    ?   370.396  -41.7265     165.691    -41.7265     38.6838     138.274      
1 1 1 11 23 9  o 0 13.1   4.8   ?    ?   177.048  22.973       14.8392    22.973       79.0367     -157.027     
1 1 1 11 23 10 f 1 290.5  20.5  ?    ?   651.253  2.59177      508.034    2.59177      165.124     2.59177      
1 1 1 11 23 11 o 0 9.8    4.1   ?    ?   295.424  98.0826      42.8901    -81.9174     198.089     -81.9174     
1 1 1 11 23 12 o 0 67.6   8.7   ?    ?   410.842  -135.393     173.211    -135.393     41.486      44.6065      
1 1 1 11 23 13 o 0 14.5   6.2   ?    ?   167.38   19.7563      31.7237    19.7563      54.0404     -160.244     
1 1 1 11 23 14 o 0 81.8   10.2  ?    ?   437.716  -157.028     205.202    -157.028     17.7032     22.9722      
1 1 1 11 23 15 o 0 3.6    6.9   ?    ?   139.201  44.2723      17.3946    -135.728     91.0678     -135.728     
1 1 1 11 23 16 o 0 59.6   8.9   ?    ?   389.45   -30.649      189.314    -30.649      64.6869     149.351      
1 1 1 11 23 17 f 1 4.1    6.7   ?    ?   94.5043  -162.826     10.9243    17.1743      71.9419     17.1743      
1 1 1 11 23 18 o 0 0.8    8.9   ?    ?   145.909  -98.2613     13.9027    81.7387      109.489     81.7387      
1 1 1 11 23 19 o 0 200    21.6  ?    ?   578.468  66.9027      437.459    66.9027      61.6915     66.9027      
1 1 1 11 23 20 f 1 7.8    6.9   ?    ?   392.703  104.896      106.186    -75.1037     358.916     -75.1037     
1 1 1 11 23 21 o 0 1.3    7.8   ?    ?   148.716  -162.107     16.7524    17.8926      111.806     17.8926      
1 1 1 11 23 22 o 0 21.1   12    ?    ?   48.3621  52.7173      75.0932    52.7173      45.1535     52.7173      
1 1 1 11 23 23 o 0 79.4   14.8  ?    ?   381.357  -169.646     247.378    -169.646     20.1987     -169.646     
1 1 1 11 23 24 o 0 11     11.9  ?    ?   271.103  -172.77      2.74859    -172.77      156.982     7.22992      
1 1 1 11 23 25 o 0 37.1   10.1  ?    ?   327.878  -1.47111     121.106    -1.47111     67.6928     178.529      
1 1 1 11 23 26 f 1 24.3   5.3   ?    ?   14.1846  68.3575      51.4222    68.3575      43.8264     68.3575      
1 1 1 11 23 27 o 0 9.4    5     ?    ?   232.21   -1.68542     29.087     -1.68542     82.7117     178.315      
1 1 1 11 24 0  o 0 70.1   14.7  ?    ?   314.242  -90          209.531    -90          42.5224     -90          
1 1 1 11 24 1  o 0 79.5   10.9  ?    ?   410.56   -18.536      211.841    -18.536      6.43013     161.464      
1 1 1 11 24 2  o 0 148.4  14    ?    ?   520.359  94.2098      327.297    94.2097      50.7207     94.2097      
1 1 1 11 24 3  o 0 311    23.3  ?    ?   838.388  91.4074      443.421    91.4074      1.83081     -88.5926     
1 1 1 11 24 4  o 0 24.4   6.5   ?    ?   184.964  162.449      85.2642    162.449      12.8336     -17.5505     
1 1 1 11 24 5  o 0 62.6   8.4   ?    ?   431.468  107.054      150.63     107.054      77.7761     -72.9455     
1 1 1 11 24 6  o 0 294.4  23.8  ?    ?   559.585  113.117      555.923    113.117      260.4       113.117      
1 1 1 11 24 7  o 0 168.5  15.8  ?    ?   435.304  108.638      403.759    108.638      174.531     108.638      
1 1 1 11 24 8  o 0 14.1   5.8   ?    ?   212.427  -94.7133     12.9927    -94.7133     98.4953     85.2867      
1 1 1 11 24 9  o 0 23.6   5.1   ?    ?   132.799  178.802      90.7517    178.802      22.2839     178.802      
1 1 1 11 24 10 o 0 89.4   8.8   ?    ?   390.499  -116.397     250.55     -116.397     50.0797     -116.397     
1 1 1 11 24 11 o 0 299.9  22.8  ?    ?   762.441  -145.704     459.175    -145.704     69.6125     -145.704     
1 1 1 11 24 12 o 0 4.9    5     ?    ?   182.569  93.7348      34.5743    -86.2652     127.373     -86.2652     
1 1 1 11 24 13 o 0 4.4    5.2   ?    ?   111.125  72.6422      15.9585    -107.358     74.7174     -107.358     
1 1 1 11 24 14 o 0 5.4    6.6   ?    ?   48.0827  70.948       1.64748    -109.052     33.0075     -109.052     
1 1 1 11 24 15 o 0 45.7   8.3   ?    ?   332.46   160.929      162.339    160.929      57.4107     -19.0712     
1 1 1 11 24 16 o 0 18.7   9.6   ?    ?   110.91   -0.353446    87.8757    -0.353446    15.0806     -0.353446    
1 1 1 11 24 17 o 0 4.3    6.7   ?    ?   52.8505  -90.0456     0.941457   -90.0456     33.4874     89.9544      
1 1 1 11 24 18 o 0 25.1   7.3   ?    ?   158.446  -28.0602     139.491    -28.0602     36.8691     -28.0602     
1 1 1 11 24 19 f 1 7      7     ?    ?   279.917  -72.6732     47.61      107.327      226.914     107.327      
1 1 1 11 24 20 o 0 7.2    8.3   ?    ?   22.1644  -165.637     10.3133    -165.637     3.48718     14.3635      
1 1 1 11 24 21 o 0 4.5    14.9  ?    ?   53.687   -145.796     34.8544    -145.796     2.65575     -145.796     
1 1 1 11 24 22 o 0 1.1    13.4  ?    ?   135.373  -67.3448     27.4734    -67.3448     52.9087     112.655      
1 1 1 11 24 23 o 0 20.9   10    ?    ?   134.84   -54.8923     114.618    -54.8923     36.2877     -54.8923     
1 1 1 11 24 24 o 0 73.9   12.5  ?    ?   239.291  155.699      315.003    155.699      185.26      155.699      
1 1 1 11 24 25 o 0 1.5    9.1   ?    ?   136.983  83.3855      19.4911    83.3855      53.9227     -96.6145     
1 1 1 11 24 26 o 0 3.7    8.3   ?    ?   91.3486  99.5249      43.8756    99.5249      0.0501623   -80.4751     
1 1 1 11 25 0  o 0 18.2   10    ?    ?   29.3791  -90          12.6358    -90          2.50511     90           
1 1 1 11 25 1  o 0 82.1   11    ?    ?   351.746  -82.0462     247.105    -82.0462     65.7183     -82.0462     
1 1 1 11 25 2  o 0 98.3   12    ?    ?   349.669  -38.5025     291.068    -38.5025     110.751     -38.5025     
1 1 1 11 25 3  o 0 299    22.4  ?    ?   718.6    114.1        484.929    114.1        114.57      114.1        
1 1 1 11 25 4  o 0 -2.4   5.7   ?    ?   91.7638  25.8385      28.47      -154.162     75.7112     -154.162     
1 1 1 11 25 5  o 0 9.4    5.5   ?    ?   58.0979  -178.596     4.50831    -178.596     25.3517     1.40371      
1 1 1 11 25 6  o 0 27.3   5.4   ?    ?   311.723  55.0113      69.9226    55.0113      89.9414     -124.989     
1 1 1 11 25 7  o 0 207.8  16.8  ?    ?   504.2    50.4378      442.534    50.4378      184.656     50.4378      
1 1 1 11 25 8  o 0 -2.4   5.5   ?    ?   89.9369  -112.937     27.6216    67.063       75.5916     67.063       
1 1 1 11 25 9  o 0 35.8   5.9   ?    ?   294.168  -132.563     112.634    -132.563     43.6912     47.4368      
1 1 1 11 25 10 o 0 0.7    4.5   ?    ?   209.781  32.6154      81.7044    -147.385     219.48      -147.385     
1 1 1 11 25 11 o 0 162.7  15.5  ?    ?   637.036  34.4413      342.689    34.4413      73.7553     -145.559     
1 1 1 11 25 12 o 0 -2.4   4.9   ?    ?   130.695  -170.652     50.1524    9.34774      136.866     9.34774      
1 1 1 11 25 13 o 0 6.7    6.3   ?    ?   90.317   -176.575     8.56542    -176.575     51.0246     3.42468      
1 1 1 11 25 14 o 0 20.3   9.4   ?    ?   184.379  76.8251      86.7219    76.8251      34.1951     -103.175     
1 1 1 11 25 15 o 0 24.3   7.4   ?    ?   228.593  39.7721      106.352    39.7721      42.9125     -140.228     
1 1 1 11 25 16 f 1 -5.3   6.5   ?    ?   39.8626  -47.4672     11.47      132.533      37.2509     132.533      
1 1 1 11 25 17 o 0 5.5    6.8   ?    ?   111.616  -123.556     12.3268    -123.556     57.9447     56.4439      
1 1 1 11 25 18 o 0 18.3   7.2   ?    ?   167.122  23.7126      90.993     23.7126      13.3872     -156.287     
1 1 1 11 25 19 o 0 0.5    7.3   ?    ?   150.078  -68.7558     12.8419    111.244      103.22      111.244      
1 1 1 11 25 20 o 0 0.6    14    ?    ?   182.704  106.261      15.2814    106.261      93.7595     -73.7391     
1 1 1 11 25 21 o 0 4      11.7  ?    ?   10.9535  -63.1836     7.36386    -63.1836     0.96177     -63.1836     
1 1 1 11 25 22 o 0 15     9.7   ?    ?   103.08   -156.306     91.7722    -156.306     35.481      -156.306     
1 1 1 11 25 23 f 1 61     11.6  ?    ?   272.391  174.08       252.359    174.08       105.551     174.08       
1 1 1 11 25 24 o 0 57.6   11.8  ?    ?   282.639  148.618      243.921    148.618      106.744     148.618      
1 1 1 11 26 0  o 0 6.4    9.4   ?    ?   109.299  90           19.8864    90           38.0172     -90          
1 1 1 11 26 1  o 0 33     9.3   ?    ?   182.277  35.2212      135.613    35.2212      38.9645     35.2212      
1 1 1 11 26 2  o 0 137.8  12.7  ?    ?   367.324  61.5586      451.74     61.5586      209.97      61.5586      
1 1 1 11 26 3  o 0 280.3  23.1  ?    ?   515.567  -153.201     661.893    -153.201     322.662     -153.201     
1 1 1 11 26 4  o 0 5.9    5.1   ?    ?   30.45    -4.72147     1.91289    175.279      21.9304     175.279      
1 1 1 11 26 5  o 0 17.9   5.2   ?    ?   117.709  -94.3677     80.7903    -94.3677     3.522       -94.3677     
1 1 1 11 26 6  o 0 105.3  11.3  ?    ?   407.158  -47.9183     335        -47.9183     68.2567     -47.9183     
1 1 1 11 26 7  o 0 29.5   6     ?    ?   120.55   20.3179      155.214    20.3179      76.4361     20.3179      
1 1 1 11 26 8  o 0 8.7    6.6   ?    ?   30.6767  98.9756      10.0137    98.9756      10.3749     -81.0244     
1 1 1 11 26 9  f 1 13.8   5.5   ?    ?   136.513  -17.8432     58.2209    -17.8432     31.9573     162.157      
1 1 1 11 26 10 o 0 188.9  19.8  ?    ?   452.86   -179.883     502.664    -179.883     203.948     -179.883     
1 1 1 11 26 11 o 0 142.1  16.9  ?    ?   375.099  79.5198      439.104    79.5198      192.798     79.5198      
1 1 1 11 26 12 o 0 185.3  16.5  ?    ?   540.585  -0.27537     439.455    -0.27537     85.4816     -0.27537     
1 1 1 11 26 13 o 0 13.3   5.2   ?    ?   35.2739  -77.2663     30.5463    -77.2663     7.57576     -77.2663     
1 1 1 11 26 14 o 0 82.6   10.8  ?    ?   359.761  -22.1374     286.108    -22.1374     58.2906     -22.1374     
1 1 1 11 26 15 o 0 68.1   9.9   ?    ?   198.098  142.829      322.22     142.829      197.585     142.829      
1 1 1 11 26 16 o 0 32.5   7.7   ?    ?   224.475  159.403      156.922    159.403      16.6737     159.403      
1 1 1 11 26 17 o 0 16     9.8   ?    ?   135.431  -44.4064     81.277     -44.4064     0.390719    135.594      
1 1 1 11 26 18 o 0 19.4   9.2   ?    ?   167.948  179.796      93.7427    179.796      6.72904     -0.203637    
1 1 1 11 26 19 o 0 67.7   15.5  ?    ?   335.527  -54.5843     230.209    -54.5843     33.4347     -54.5843     
1 1 1 11 26 20 o 0 31.7   12.4  ?    ?   202.91   -165.505     148.411    -165.505     37.1124     -165.505     
1 1 1 11 26 21 o 0 2.6    9.9   ?    ?   192.254  68.121       9.65141    68.121       94.8031     -111.879     
1 1 1 11 26 22 o 0 18.9   10.1  ?    ?   188.144  60.8229      98.0806    60.8229      6.16785     60.8229      
1 1 1 11 27 0  o 0 22.3   10.7  ?    ?   17.3629  -90          16.3205    -90          4.8871      -90          
1 1 1 11 27 1  o 0 48.7   8.6   ?    ?   311.399  10.9105      187.141    10.9105      18.1423     -169.089     
1 1 1 11 27 2  o 0 18.6   5.2   ?    ?   221.593  -57.253      73.9966    -57.253      72.1559     122.747      
1 1 1 11 27 3  o 0 165.4  14.7  ?    ?   414.233  -107.841     480.295    -107.841     207.112     -107.841     
1 1 1 11 27 4  o 0 9.6    5.4   ?    ?   133.427  79.8972      22.2615    79.8972      65.6728     -100.103     
1 1 1 11 27 5  o 0 46.1   6.5   ?    ?   303.333  -94.3458     182.498    -94.3458     17.1632     85.6542      
1 1 1 11 27 6  o 0 33.7   5.9   ?    ?   238.243  10.2987      160.001    10.2987      3.12085     10.2987      
1 1 1 11 27 7  o 0 75.9   8.4   ?    ?   360.887  141.834      264.432    141.834      27.3452     141.834      
1 1 1 11 27 8  o 0 22.1   8.7   ?    ?   224.236  120.155      85.5743    120.155      61.3172     -59.845      
1 1 1 11 27 9  f 1 23.5   7.4   ?    ?   254.692  154.251      83.7187    154.251      82.1323     -25.7492     
1 1 1 11 27 10 o 0 9.7    5.3   ?    ?   230.926  -141.212     7.11311    38.7878      157.29      38.7878      
1 1 1 11 27 11 o 0 83.3   9.7   ?    ?   278.49   -76.4893     336.125    -76.4893     159.733     -76.4893     
1 1 1 11 27 12 o 0 24.5   5.5   ?    ?   293.878  81.0056      81.6217    81.0056      103.605     -98.9944     
1 1 1 11 27 13 o 0 14.2   5.5   ?    ?   120.499  -130.984     73.5551    -130.984     1.98347     49.0162      
1 1 1 11 27 14 o 0 53.4   11.6  ?    ?   274.478  73.716       222.521    73.716       56.1925     73.716       
1 1 1 11 27 15 o 0 -1.5   8.5   ?    ?   110.067  10.5353      1.94573    -169.465     68.2171     -169.465     
1 1 1 11 27 16 o 0 17.9   9.6   ?    ?   202.382  -69.2727     74.5381    -69.2727     45.1053     110.727      
1 1 1 11 27 17 o 0 19.9   10    ?    ?   151.269  42.1272      103.576    42.1272      14.8122     42.1272      
1 1 1 11 27 18 o 0 22.7   12.3  ?    ?   65.5009  100.746      119.39     100.746      83.4041     100.746      
1 1 1 11 27 19 o 0 9.6    9.4   ?    ?   204.664  48.4175      31.6178    48.4175      79.8753     -131.583     
1 1 1 11 28 0  o 0 1.6    9.6   ?    ?   45.0098  -90          9.46677    -90          19.6749     90           
1 1 1 11 28 1  o 0 13.5   5.9   ?    ?   147.382  -151.435     56.3606    -151.435     39.1906     28.5652      
1 1 1 11 28 2  o 0 122.8  12.1  ?    ?   364.928  -125.562     396.331    -125.562     159.568     -125.562     
1 1 1 11 28 3  o 0 7.4    5.1   ?    ?   55.5863  -17.4948     11.2726    -17.4948     24.7958     162.505      
1 1 1 11 28 4  o 0 9.3    5     ?    ?   80.8183  -85.6556     33.1312    -85.6556     18.1458     94.3444      
1 1 1 11 28 5  o 0 5.4    5.2   ?    ?   135.359  -95.5429     0.510971   84.4571      86.3031     84.4571      
1 1 1 11 28 6  o 0 42.3   8.7   ?    ?   279.484  88.6326      177.838    88.6326      0.981526    88.6326      
1 1 1 11 28 7  o 0 36.1   7.1   ?    ?   240.725  28.9884      171.626    28.9884      19.6256     28.9884      
1 1 1 11 28 8  o 0 30     12.1  ?    ?   69.5987  178.717      142.886    178.717      99.0575     178.717      
1 1 1 11 28 9  o 0 8.5    12.2  ?    ?   106.953  49.5019      52.2254    49.5019      13.0552     -130.498     
1 1 1 11 28 10 o 0 26.6   6.6   ?    ?   165.429  118.259      156.713    118.259      56.1203     118.259      
1 1 1 11 28 11 o 0 70.5   9     ?    ?   381.057  175.105      236.994    175.105      6.27612     175.105      
1 1 1 11 28 12 o 0 43.1   8     ?    ?   227.378  -55.9777     210.05     -55.9777     73.0395     -55.9777     
1 1 1 11 28 13 o 0 -10.8  12    ?    ?   33.5793  -103.726     5.21542    -103.726     14.683      76.2738      
1 1 1 11 28 14 o 0 12.2   9.4   ?    ?   120.965  -34.8504     65.8228    -34.8504     5.44084     145.15       
1 1 1 11 28 15 o 0 48.8   10.4  ?    ?   201.647  26.8604      248.875    26.8604      137.473     26.8604      
1 1 1 11 28 16 o 0 -3.3   9.1   ?    ?   172.829  -77.5541     6.23512    102.446      101.062     102.446      
1 1 1 11 28 17 o 0 0.3    8.8   ?    ?   61.0743  130.236      32.5947    130.236      2.38416     130.236      
1 1 1 11 28 18 o 0 39.1   14.2  ?    ?   258.29   -36.1022     152.717    -36.1022     25.961      -36.1022     
1 1 1 11 29 0  o 0 6.4    9.3   ?    ?   35.3864  -90          11.6726    -90          9.69269     90           
1 1 1 11 29 1  o 0 -4.9   5.7   ?    ?   68.8244  164.098      17.8641    -15.9017     59.4835     -15.9017     
1 1 1 11 29 2  o 0 4.1    5.9   ?    ?   182.213  -2.59528     15.3225    177.405      125.615     177.405      
1 1 1 11 29 3  o 0 59     7.2   ?    ?   316.976  -149.154     233.331    -149.154     41.4022     -149.154     
1 1 1 11 29 4  o 0 6.9    5.9   ?    ?   122.75   118.208      19.9937    118.208      54.3117     -61.7916     
1 1 1 11 29 5  o 0 1.4    5.7   ?    ?   112.427  122.257      10.4001    -57.7434     78.3992     -57.7434     
1 1 1 11 29 6  o 0 86.8   10.6  ?    ?   385.7    137.006      285.051    137.006      52.1011     137.006      
1 1 1 11 29 7  o 0 65.4   10.3  ?    ?   355.285  -1.27379     228.205    -1.27379     14.0508     -1.27379     
1 1 1 11 29 8  o 0 62.8   10.6  ?    ?   352.654  -55.5781     222.371    -55.5781     12.742      -55.5781     
1 1 1 11 29 10 o 0 67.6   9.2   ?    ?   353.758  -39.964      240.841    -39.964      31.9642     -39.964      
1 1 1 11 29 11 o 0 26.8   5.5   ?    ?   205.664  170.846      155.234    170.846      41.1081     170.846      
1 1 1 11 29 12 f 1 8.3    4.2   ?    ?   191.139  94.3459      24.6469    94.3459      80.6496     -85.6541     
1 1 1 11 29 13 o 0 -3.9   7.5   ?    ?   135.878  -34.0034     7.67013    145.997      82.3252     145.997      
1 1 1 11 29 14 f 1 24.5   9.1   ?    ?   248.159  65.3632      113.771    65.3632      9.03578     -114.637     
1 1 1 11 30 0  o 0 12.4   7.5   ?    ?   58.3439  -90          35.1506    -90          1.0352      -90          
1 1 1 11 30 1  o 0 6.2    5.6   ?    ?   149.717  3.3558       13.6931    3.3558       74.008      -176.644     
1 1 1 11 30 2  o 0 127.1  13.4  ?    ?   539.517  35.2978      303.88     35.2978      12.5244     -144.702     
1 1 1 11 30 3  o 0 29.8   6.7   ?    ?   216.238  127.896      153.124    127.896      26.2399     127.896      
1 1 1 11 30 4  o 0 7.6    6     ?    ?   95.2888  136.866      32.5749    136.866      23.3351     -43.1344     
1 1 1 11 30 5  o 0 38.6   7.1   ?    ?   107.261  74.5661      244.5      74.5661      185.145     74.5661      
1 1 1 11 30 6  o 0 119.3  13.1  ?    ?   409.546  -111.182     370.97     -111.182     144.622     -111.182     
1 1 1 11 30 7  o 0 114.1  16.6  ?    ?   456.868  -112.039     316.199    -112.039     64.1544     -112.039     
1 1 1 11 30 8  o 0 21.1   7.3   ?    ?   70.5083  40.1122      129.575    40.1122      90.7698     40.1122      
1 1 1 11 30 9  o 0 13     8.8   ?    ?   95.4815  140.98       77.4815    140.98       25.0861     140.98       
1 1 1 11 30 10 o 0 10.9   5.6   ?    ?   126.57   151.648      79.2618    151.648      16.4002     151.648      
1 1 1 11 30 11 o 0 9.2    5.3   ?    ?   112.338  -86.8747     67.619     -86.8747     12.0512     -86.8747     
1 1 1 11 30 12 o 0 4.9    4.7   ?    ?   96.8231  -174.865     34.9878    -174.865     12.6864     5.13462      
1 1 1 11 31 0  o 0 -4.2   10.9  ?    ?   33.6701  90           9.8516     90           6.66577     -90          
1 1 1 11 31 1  o 0 5.1    9.2   ?    ?   149.369  -65.7152     44.7521    -65.7152     28.6704     114.285      
1 1 1 11 31 2  o 0 94.9   12.5  ?    ?   413.161  39.2574      312.319    39.2574      108.951     39.2574      
1 1 1 11 31 3  o 0 11.5   5.6   ?    ?   199.26   -7.71651     58.5486    -7.71651     39.6054     172.283      
1 1 1 11 31 4  o 0 23.2   6.3   ?    ?   228.189  -105.826     131.015    -105.826     18.596      -105.826     
1 1 1 11 31 5  o 0 4.7    5.9   ?    ?   115.54   -3.46566     36.541     -3.46566     20.3539     176.534      
1 1 1 11 31 6  o 0 60.3   10.8  ?    ?   302.301  -138.857     254.024    -138.857     105.321     -138.857     
1 1 1 12 0  0  o 0 116.7  15.5  ?    ?   671.95   6.0364e-15   373.111    0            153.256     -180         
1 1 1 12 0  1  o 0 0.5    1.4   ?    ?   197.512  90           2.84718    90           150.835     -90          
1 1 1 12 0  2  o 0 8.8    1.7   ?    ?   62.2732  180          12.7837    180          35.3217     -1.99492e-14 
1 1 1 12 0  3  o 0 27.3   3.2   ?    ?   327.9    90           148.906    90           102.499     -90          
1 1 1 12 0  4  o 0 1022.9 108   ?    ?   1234.98  180          1074.15    180          134.46      180          
1 1 1 12 0  5  o 0 19.8   3.2   ?    ?   429.256  -90          129.708    -90          194.45      90           
1 1 1 12 0  6  o 0 14.2   3     ?    ?   157.868  -180         48.0306    180          70.302      1.60928e-14  
1 1 1 12 0  7  o 0 72.7   8.4   ?    ?   576.976  -90          284.004    -90          145.355     90           
1 1 1 12 0  8  o 0 18.1   3.7   ?    ?   130.465  180          50.3263    180          46.0797     3.35375e-15  
1 1 1 12 0  10 o 0 9.5    3.6   ?    ?   73.2291  180          13.3097    180          40.0772     2.33026e-15  
1 1 1 12 0  11 o 0 152.9  16.9  ?    ?   478.449  90           379.374    90           50.4275     90           
1 1 1 12 0  12 o 0 49.8   6.8   ?    ?   182.084  180          154.814    180          30.4367     180          
1 1 1 12 0  13 o 0 7.6    3.8   ?    ?   394.055  90           42.5744    90           224.847     -90          
1 1 1 12 0  14 o 0 36.4   5.8   ?    ?   169.882  -1.47956e-15 111.88     0            2.6493      180          
1 1 1 12 0  15 o 0 10.3   4.9   ?    ?   48.3556  90           8.14499    90           24.2347     -90          
1 1 1 12 0  16 o 0 69     9.7   ?    ?   422.705  0            242.473    0            41.5925     180          
1 1 1 12 0  17 o 0 188.8  18.8  ?    ?   598.921  -90          405.654    -90          6.09499     -90          
1 1 1 12 0  18 o 0 473.3  44.2  ?    ?   633.442  9.72119e-17  590.393    0            201.494     -1.87626e-16 
1 1 1 12 0  19 o 0 158.4  16.4  ?    ?   330.98   -90          337.106    -90          135.533     -90          
1 1 1 12 0  20 o 0 -1.4   6.1   ?    ?   123.667  180          4.11626    180          70.7908     -3.87745e-15 
1 1 1 12 0  21 o 0 213.6  25.7  ?    ?   464.509  -90          385.8      -90          106.957     -90          
1 1 1 12 0  22 o 0 53     13    ?    ?   233.133  180          156.033    180          17.7079     180          
1 1 1 12 0  23 o 0 41     12.1  ?    ?   225.562  -90          122.319    -90          10.1734     90           
1 1 1 12 0  24 o 0 96.7   13.6  ?    ?   361.603  -4.68768e-15 249.742    0            37.167      2.68109e-14  
1 1 1 12 0  25 o 0 133    17.5  ?    ?   644.227  -90          310.096    -90          88.0568     90           
1 1 1 12 0  27 o 0 89.8   15.5  ?    ?   467.888  90           246.914    90           38.2017     -90          
1 1 1 12 0  28 f 1 50.2   16.4  ?    ?   271.547  180          164.014    180          4.40485     180          
1 1 1 12 0  29 o 0 128.8  25.3  ?    ?   512.421  90           284.657    90           2.74731     90           
1 1 1 12 0  31 o 0 26.9   12.3  ?    ?   381.361  -90          108.515    -90          87.976      90           
1 1 1 12 0  32 o 0 27.6   15.6  ?    ?   253.326  0            94.851     0            31.8325     180          
1 1 1 12 0  33 o 0 -13.1  14.8  ?    ?   49.7573  -90          5.41534    -90          20.188      90           
1 1 1 12 0  34 o 0 -4.4   16.8  ?    ?   116.679  180          27.215     180          47.4911     4.02095e-15  
1 1 1 12 0  35 o 0 30.6   12.9  ?    ?   37.3228  90           50.1314    90           26.6094     90           
1 1 1 12 0  36 o 0 70.5   12.1  ?    ?   338.679  180          232.719    180          27.7819     180          
1 1 1 12 0  37 o 0 38     10.3  ?    ?   177.586  90           160.009    90           57.5256     90           
1 1 1 12 0  38 o 0 10.1   9.4   ?    ?   60.7268  0            27.4006    0            6.55697     180          
1 1 1 12 0  39 o 0 -2.4   12.2  ?    ?   95.9049  -90          23.8828    -90          25.6843     90           
1 1 1 12 0  40 o 0 -6     12.2  ?    ?   51.4446  0            14.3028    0            9.33046     180          
1 1 1 12 1  0  o 0 9.6    1.8   ?    ?   5.98367  180          1.35725    180          3.29133     -5.22759e-13 
1 1 1 12 1  1  o 0 240.4  15.6  ?    ?   764.964  60.1435      453.385    60.1435      136.785     -119.857     
1 1 1 12 1  4  o 0 363.3  27.3  ?    ?   695.931  9.49335      729.439    9.49335      204.51      9.49335      
1 1 1 12 1  5  o 0 165.1  12.7  ?    ?   544.015  72.7595      412.826    72.7595      5.56133     72.7595      
1 1 1 12 1  6  o 0 51.7   4.4   ?    ?   268.501  -136.128     177.845    -136.128     21.6928     43.872       
1 1 1 12 1  7  o 0 55.7   5.8   ?    ?   307.403  118.408      181.457    118.408      45.3759     -61.5924     
1 1 1 12 1  8  o 0 67.5   6.2   ?    ?   423.574  -35.0687     172.327    -35.0687     138.098     144.931      
1 1 1 12 1  9  o 0 571.5  47.2  ?    ?   668.113  -103.448     1034.14    -103.448     547.725     -103.448     
1 1 1 12 1  10 o 0 13.1   2.3   ?    ?   170.973  167.131      30.6547    -12.8693     154.333     -12.8693     
1 1 1 12 1  11 f 1 8.9    2.4   ?    ?   195.722  -169.945     63.2872    10.055       196.499     10.055       
1 1 1 12 1  12 o 0 51.4   4.9   ?    ?   339.942  166.917      136.097    166.917      94.4301     -13.0832     
1 1 1 12 1  13 o 0 39.9   4.3   ?    ?   472.882  20.5814      14.9885    20.5814      303.698     -159.419     
1 1 1 12 1  14 o 0 96     7.6   ?    ?   543.195  49.301       185.138    49.301       178.627     -130.699     
1 1 1 12 1  15 o 0 141.4  10.6  ?    ?   453.166  -83.0778     360.871    -83.0778     59.3564     -83.0778     
1 1 1 12 1  16 o 0 197.3  14.4  ?    ?   509.811  28.3242      450.263    28.3242      109.745     28.3242      
1 1 1 12 1  17 o 0 603.8  42.3  ?    ?   778.356  -36.0588     900.576    -36.0588     384.318     -36.0588     
1 1 1 12 1  18 o 0 250.1  18.5  ?    ?   562.582  118.404      478.73     118.404      135.238     118.404      
1 1 1 12 1  19 o 0 93.8   8     ?    ?   480.715  -179.678     187.925    -179.678     104.202     0.322021     
1 1 1 12 1  20 o 0 74.9   7.9   ?    ?   259.937  51.4654      223.393    51.4654      66.7255     51.4654      
1 1 1 12 1  21 o 0 485.2  37.4  ?    ?   776.645  107.034      673.204    107.034      209.172     107.034      
1 1 1 12 1  22 o 0 97.4   11.2  ?    ?   589.09   -155.652     137.457    -155.652     210.521     24.3484      
1 1 1 12 1  23 o 0 237.2  20.4  ?    ?   585.429  -138.371     424.667    -138.371     82.2281     -138.371     
1 1 1 12 1  24 o 0 209.5  16    ?    ?   586.57   8.89904      371.466    8.89904      27.9936     8.89904      
1 1 1 12 1  25 f 1 37.4   8     ?    ?   63.9572  -111.837     58.9702    -111.837     19.6895     -111.837     
1 1 1 12 1  26 f 1 152.4  15.8  ?    ?   628.753  126.978      247.184    126.978      138.45      -53.0224     
1 1 1 12 1  27 o 0 21.5   9     ?    ?   137.341  94.2513      30.8056    94.2513      52.6159     -85.7487     
1 1 1 12 1  28 o 0 74.6   10.7  ?    ?   185.498  -21.2932     260.789    -21.2932     151.805     -21.2932     
1 1 1 12 1  29 o 0 73.4   10.6  ?    ?   368.65   -152.765     202.747    -152.765     0.499201    -152.765     
1 1 1 12 1  30 f 1 25.4   10.3  ?    ?   339.303  27.7849      24.4889    27.7849      158.543     -152.215     
1 1 1 12 1  31 o 0 319.8  26.7  ?    ?   656.855  28.1982      527.749    28.1982      190.121     28.1982      
1 1 1 12 1  32 o 0 55.2   16.8  ?    ?   257.719  -91.8667     186.408    -91.8667     57.8106     -91.8667     
1 1 1 12 1  33 o 0 15.8   11.3  ?    ?   92.9619  -49.2533     42.6653    -49.2533     5.07386     130.747      
1 1 1 12 1  34 o 0 131.5  19.6  ?    ?   541.88   -40.9727     295.22     -40.9727     51.0975     139.027      
1 1 1 12 1  35 o 0 70.9   9.4   ?    ?   276.805  116.218      281.646    116.218      107.481     116.218      
1 1 1 12 1  36 o 0 36.3   8.1   ?    ?   300.672  129.84       131.563    129.84       50.108      -50.1604     
1 1 1 12 1  37 o 0 34.1   8.2   ?    ?   134.072  64.8087      192.689    64.8087      115.418     64.8087      
1 1 1 12 1  38 o 0 25.4   7     ?    ?   313.998  47.7067      75.1993    47.7067      100.183     -132.293     
1 1 1 12 1  39 o 0 19.9   8.1   ?    ?   200.894  -160.23      91.056     -160.23      12.6709     19.7695      
1 1 1 12 1  40 o 0 27.6   7.9   ?    ?   241.744  -96.8839     134.47     -96.8839     23.5067     -96.8839     
1 1 1 12 2  0  o 0 15.4   2.6   ?    ?   197.806  180          65.652     180          86.6639     1.45964e-15  
1 1 1 12 2  3  o 0 59.4   5.2   ?    ?   110.777  11.9853      182.274    11.9853      98.8265     11.9853      
1 1 1 12 2  4  o 0 1205   98.5  ?    ?   1541.7   43.0178      1115.97    43.0178      36.6646     -136.982     
1 1 1 12 2  5  o 0 32.6   3.9   ?    ?   253.813  34.6915      78.7952    34.6915      109.565     -145.309     
1 1 1 12 2  7  o 0 13.3   2.4   ?    ?   186.588  54.8874      34.0259    -125.113     170.559     -125.113     
1 1 1 12 2  8  o 0 107.5  9.4   ?    ?   461.255  112.245      290.308    112.245      44.9752     -67.7552     
1 1 1 12 2  9  o 0 88.8   8     ?    ?   607.727  -13.6214     134.609    -13.6214     304.331     166.379      
1 1 1 12 2  10 o 0 83.4   6.8   ?    ?   463.617  -75.1196     194.127    -75.1197     120.313     104.88       
1 1 1 12 2  11 o 0 60.6   5.4   ?    ?   495.114  -117.55      92.5338    -117.55      242.797     62.45        
1 1 1 12 2  12 o 0 228    16.2  ?    ?   557.661  -86.7103     497.358    -86.7103     121.916     -86.7103     
1 1 1 12 2  13 o 0 304.6  23.4  ?    ?   703.853  55.9385      544.905    55.9385      73.8647     55.9385      
1 1 1 12 2  14 o 0 21.2   3.4   ?    ?   35.0953  8.92516      8.1089     8.92516      15.2359     -171.075     
1 1 1 12 2  15 o 0 -2.2   3     ?    ?   212.142  -26.2813     127.509    153.719      267.746     153.719      
1 1 1 12 2  16 o 0 58.5   5.6   ?    ?   198.403  163.731      192.431    163.731      60.7342     163.731      
1 1 1 12 2  17 o 0 1102   76.5  ?    ?   1493.57  16.881       934.311    16.881       50.4146     -163.119     
1 1 1 12 2  18 o 0 188.1  13.4  ?    ?   562.58   123.02       363.118    123.02       21.5902     123.02       
1 1 1 12 2  19 o 0 166.4  12.9  ?    ?   407.613  65.2021      395.792    65.2021      149.445     65.2021      
1 1 1 12 2  20 o 0 5.7    4.9   ?    ?   46.5268  -161.338     17.2668    18.6615      45.1624     18.6615      
1 1 1 12 2  21 o 0 198.3  17.1  ?    ?   844.205  -27.3857     216.316    -27.3857     285.559     152.614      
1 1 1 12 2  22 o 0 480.1  37.6  ?    ?   903.424  -3.05244     586.872    -3.05244     55.7625     -3.05244     
1 1 1 12 2  23 o 0 57     8.7   ?    ?   299.983  104.152      149.311    104.152      25.3623     -75.8482     
1 1 1 12 2  24 o 0 159.9  17.4  ?    ?   562.086  97.8398      288.38     97.8398      39.3308     -82.1602     
1 1 1 12 2  25 o 0 519.4  40.8  ?    ?   963.318  33.4628      609.596    33.4628      18.8694     33.4628      
1 1 1 12 2  26 o 0 144.9  13.5  ?    ?   512.045  -161.859     295.443    -161.859     18.1899     18.1412      
1 1 1 12 2  27 o 0 31.7   8     ?    ?   171.473  -126.245     85.9107    -126.245     17.857      53.7545      
1 1 1 12 2  28 o 0 50.3   8.5   ?    ?   279.452  42.3898      152.924    42.3898      10.6852     -137.61      
1 1 1 12 2  29 o 0 83.6   10.7  ?    ?   392.726  -118.64      220.688    -118.64      5.94517     -118.64      
1 1 1 12 2  30 o 0 151.7  16.7  ?    ?   532.067  -169.713     307.671    -169.713     20.8151     -169.713     
1 1 1 12 2  31 o 0 53.9   10.8  ?    ?   509.017  69.2227      78.9259    69.2227      181.943     -110.777     
1 1 1 12 2  32 o 0 0.9    9.2   ?    ?   247.158  -139.517     46.0535    40.4828      169.041     40.4828      
1 1 1 12 2  33 o 0 10     13.8  ?    ?   239.027  165.82       7.83026    165.82       114.601     -14.18       
1 1 1 12 2  34 o 0 107.9  14.3  ?    ?   521.157  -122.442     252.453    -122.442     79.8148     57.5583      
1 1 1 12 2  35 o 0 24.8   10    ?    ?   377.51   -82.8789     12.7576    -82.8789     224.235     97.1211      
1 1 1 12 2  36 o 0 84.2   9.5   ?    ?   356.675  5.08803      280.894    5.08803      65.8359     5.08803      
1 1 1 12 2  37 o 0 4.2    7.1   ?    ?   155.013  -137.994     1.51546    -137.994     87.6516     42.0057      
1 1 1 12 2  38 o 0 85.6   11.7  ?    ?   290.617  55.8478      312.253    55.8478      150.219     55.8478      
1 1 1 12 2  39 o 0 22.9   7.8   ?    ?   256.18   58.4288      86.8867    58.4288      45.1696     -121.571     
1 1 1 12 2  40 o 0 64.7   8.8   ?    ?   416.688  143.24       209.425    143.24       18.4455     143.24       
1 1 1 12 3  0  o 0 931.3  98.4  ?    ?   942.424  180          1029.47    180          310.389     -180         
1 1 1 12 3  1  o 0 107.9  9     ?    ?   635.053  -158.228     187.986    -158.228     293.197     21.7719      
1 1 1 12 3  2  o 0 39.6   3.7   ?    ?   167.281  3.01983      124.365    3.01983      1.4634      -176.98      
1 1 1 12 3  3  o 0 42.6   3.9   ?    ?   137.479  38.4987      128.656    38.4987      26.0094     38.4987      
1 1 1 12 3  4  o 0 1101.2 82.2  ?    ?   1509.02  -99.8425     1044.45    -99.8425     73.9494     80.1575      
1 1 1 12 3  5  o 0 216.7  18    ?    ?   702.102  -156.004     422.484    -156.004     94.1314     23.9964      
1 1 1 12 3  6  o 0 276.7  22.9  ?    ?   651.181  64.7997      578.652    64.7997      102.84      64.7997      
1 1 1 12 3  7  o 0 27     3.2   ?    ?   191.871  21.7258      53.185     21.7258      86.0756     -158.274     
1 1 1 12 3  8  o 0 930.4  85.2  ?    ?   1165.13  85.4089      1086.11    85.4089      245.872     85.4089      
1 1 1 12 3  9  o 0 326.7  30.4  ?    ?   751.316  -63.3576     592.154    -63.3576     53.6794     -63.3576     
1 1 1 12 3  10 o 0 102    7.6   ?    ?   562.302  -8.20764     194.34     -8.20764     184.178     171.792      
1 1 1 12 3  11 o 0 24.1   2.9   ?    ?   232.866  -64.389      29.1689    -64.389      127.399     115.611      
1 1 1 12 3  12 f 1 1527.1 98.7  ?    ?   1881.64  -37.2127     1051.83    -37.2127     202.79      142.787      
1 1 1 12 3  13 o 0 1259.4 81.8  ?    ?   1451.88  -172.947     1119.43    -172.947     154.454     -172.947     
1 1 1 12 3  14 o 0 1508.3 104.3 ?    ?   1623.63  151.838      1193.76    151.838      120.924     151.838      
1 1 1 12 3  15 o 0 317.8  24.2  ?    ?   776.421  48.922       512.85     48.922       2.90066     48.922       
1 1 1 12 3  16 o 0 585.3  44.2  ?    ?   1165.57  136.372      626.458    136.372      142.398     -43.628      
1 1 1 12 3  17 o 0 949.1  66.1  ?    ?   1244.16  53.1673      952.71     53.1673      137.37      53.1673      
1 1 1 12 3  18 o 0 2555.4 176.5 ?    ?   2003.1   -62.1273     1448.08    -62.1273     239.147     -62.1273     
1 1 1 12 3  19 o 0 125.4  10.4  ?    ?   480.931  -43.4168     266.429    -43.4168     22.5912     136.583      
1 1 1 12 3  20 o 0 5.5    4.9   ?    ?   184.995  -92.5019     71.0388    87.4981      181.351     87.4981      
1 1 1 12 3  21 o 0 1216.9 100.2 ?    ?   1372.92  -77.3717     977.175    -77.3717     165.259     -77.3717     
1 1 1 12 3  22 o 0 109.3  13    ?    ?   362.618  -11.017      278.194    -11.017      66.0926     -11.017      
1 1 1 12 3  23 o 0 442.6  34.7  ?    ?   726.56   51.978       632.182    51.978       211.181     51.978       
1 1 1 12 3  24 o 0 119.5  12.7  ?    ?   585.175  -121.728     188.301    -121.728     151.276     58.272       
1 1 1 12 3  25 o 0 34.9   7.9   ?    ?   145.406  -60.7582     89.0923    -60.7582     0.32695     -60.7582     
1 1 1 12 3  26 o 0 175.2  15.5  ?    ?   579.773  -68.2343     319.628    -68.2343     33.9584     111.766      
1 1 1 12 3  27 o 0 96.2   10.9  ?    ?   474.779  116.535      193.897    116.535      92.2293     -63.4655     
1 1 1 12 3  28 o 0 21.1   9.1   ?    ?   248.996  -178.409     23.2843    -178.409     121.917     1.59069      
1 1 1 12 3  29 o 0 7.5    7.8   ?    ?   167.471  86.3372      20.7482    -93.6628     111.974     -93.6628     
1 1 1 12 3  30 o 0 111    12.5  ?    ?   464.843  -79.3676     262.741    -79.3676     21.8315     -79.3676     
1 1 1 12 3  31 o 0 141    16.2  ?    ?   454.7    146.765      326.564    146.765      94.3379     146.765      
1 1 1 12 3  32 o 0 64.4   11.9  ?    ?   393.137  124.126      167.435    124.126      27.5469     -55.8737     
1 1 1 12 3  33 o 0 36     12.6  ?    ?   263.059  27.1476      132.855    27.1476      33.8352     -152.852     
1 1 1 12 3  34 o 0 177.7  19.2  ?    ?   592.398  142.004      376.161    142.004      0.399411    -37.9964     
1 1 1 12 3  35 o 0 8.8    9.6   ?    ?   54.3985  22.2164      24.8798    22.2164      9.17358     -157.784     
1 1 1 12 3  36 o 0 26.1   7.6   ?    ?   279.09   -64.9989     90.2052    -64.9989     77.6205     115.001      
1 1 1 12 3  37 o 0 1.3    7.4   ?    ?   97.9813  -138.585     2.35528    -138.585     53.8624     41.4149      
1 1 1 12 3  38 o 0 61.6   8.4   ?    ?   334.675  -154.68      218.458    -154.68      32.308      -154.68      
1 1 1 12 3  39 o 0 125.7  11.8  ?    ?   421.101  25.6918      356.771    25.6918      140.193     25.6918      
1 1 1 12 3  40 o 0 26.6   8.8   ?    ?   250.029  36.3972      116.672    36.3972      2.32104     36.3972      
1 1 1 12 4  0  o 0 16.4   3.6   ?    ?   57.3806  8.77736e-14  21.1763    0            22.205      -180         
1 1 1 12 4  3  o 0 57.8   4.7   ?    ?   322.053  -56.1059     185.704    -56.1059     52.684      123.894      
1 1 1 12 4  4  o 0 311.5  23.5  ?    ?   916.363  -112.11      465.348    -112.11      208.117     67.8902      
1 1 1 12 4  5  o 0 26.1   3     ?    ?   189.139  -67.0623     48.2862    -67.0623     89.7488     112.938      
1 1 1 12 4  6  o 0 26.3   3.3   ?    ?   262.149  111.102      36.0129    111.102      154.015     -68.8978     
1 1 1 12 4  7  o 0 41.6   4.2   ?    ?   454.19   98.5598      35.7417    98.5598      291.361     -81.4402     
1 1 1 12 4  8  o 0 177.4  14.9  ?    ?   589.826  81.0799      395.728    81.0799      26.4204     -98.9201     
1 1 1 12 4  9  o 0 1882.8 140.3 ?    ?   1652.1   -106.668     1445.89    -106.668     335.319     -106.668     
1 1 1 12 4  10 o 0 255.7  16.8  ?    ?   699.07   -164.414     462.729    -164.414     6.65561     15.5857      
1 1 1 12 4  11 o 0 22.3   2.7   ?    ?   213.9    50.9157      21.692     50.9157      121.119     -129.084     
1 1 1 12 4  12 o 0 405.8  26.6  ?    ?   948.804  151.562      546.052    151.562      83.8865     -28.4381     
1 1 1 12 4  13 o 0 332.4  22    ?    ?   853.784  171.374      490.992    171.374      72.6893     -8.62615     
1 1 1 12 4  14 o 0 332.8  22    ?    ?   915.965  -17.533      450.08     -17.533      151.218     162.467      
1 1 1 12 4  15 o 0 24.3   3.6   ?    ?   145.626  -41.223      33.8003    -41.223      62.2498     138.777      
1 1 1 12 4  16 o 0 17.2   3.8   ?    ?   176.688  -142.275     5.54941    37.7246      121.378     37.7246      
1 1 1 12 4  17 o 0 1325.5 91.9  ?    ?   1744.42  177.814      874.48     177.814      179.231     -2.18562     
1 1 1 12 4  18 o 0 215.7  17.2  ?    ?   541.788  22.4425      421.347    22.4425      96.2865     22.4425      
1 1 1 12 4  19 o 0 333.1  26    ?    ?   768.145  -63.6568     480.586    -63.6568     21.6106     -63.6568     
1 1 1 12 4  20 o 0 20.2   6.5   ?    ?   122.68   45.6167      12.6239    45.6167      60.1217     -134.383     
1 1 1 12 4  21 o 0 81.2   9     ?    ?   543.137  -72.4742     116.414    -72.4742     202.35      107.526      
1 1 1 12 4  22 o 0 86.7   11.4  ?    ?   267.728  117.924      251.786    117.924      96.0142     117.924      
1 1 1 12 4  23 o 0 63.3   9.8   ?    ?   376.855  169.981      139.268    169.981      77.9778     -10.0194     
1 1 1 12 4  24 f 1 160.2  16.4  ?    ?   415.063  -72.1019     361.19     -72.1019     122.145     -72.1019     
1 1 1 12 4  25 o 0 225.8  20.1  ?    ?   611.233  170.973      399.304    170.973      27.969      170.973      
1 1 1 12 4  26 f 1 400.6  30.5  ?    ?   787.385  31.2469      554.08     31.2469      77.3539     31.2469      
1 1 1 12 4  27 o 0 76.4   9.8   ?    ?   303.868  -173.074     230.523    -173.074     51.8941     -173.074     
1 1 1 12 4  28 o 0 19.4   7.9   ?    ?   173.665  -93.7617     30.2719    -93.7617     70.5561     86.2383      
1 1 1 12 4  29 o 0 106.1  13    ?    ?   294.36   -126.388     319.998    -126.388     160.331     -126.388     
1 1 1 12 4  30 o 0 68     11.1  ?    ?   378.305  15.2385      185.856    15.2385      9.40189     -164.761     
1 1 1 12 4  31 o 0 40.3   9.7   ?    ?   358.449  123.926      96.2406    123.926      86.105      -56.0738     
1 1 1 12 4  32 o 0 30.2   9.8   ?    ?   272.584  100.446      86.4009    100.446      48.2766     -79.554      
1 1 1 12 4  33 o 0 46.1   9     ?    ?   363.441  85.6455      141.174    85.6455      88.2795     -94.3545     
1 1 1 12 4  34 o 0 139.5  14.6  ?    ?   454.047  -15.7898     375.684    -15.7898     88.0864     -15.7898     
1 1 1 12 4  35 o 0 29.7   8.6   ?    ?   301.62   -67.0667     92.3132    -67.0667     95.8593     112.933      
1 1 1 12 4  36 o 0 55.9   9.7   ?    ?   296.658  152.563      214.267    152.563      36.4594     152.563      
1 1 1 12 4  37 o 0 25.1   7.6   ?    ?   272.138  -26.958      90.3468    -26.958      65.3056     153.042      
1 1 1 12 4  38 o 0 108.1  10.9  ?    ?   375.947  -117.228     331.709    -117.228     123.232     -117.228     
1 1 1 12 4  39 o 0 17.3   7     ?    ?   100.146  117.859      104.089    117.859      52.7309     117.859      
1 1 1 12 5  0  o 0 684.4  72.5  ?    ?   1141.7   -9.15977e-15 870.739    0            15.4118     5.08352e-13  
1 1 1 12 5  1  o 0 46.3   3.9   ?    ?   219.85   67.0094      160.581    67.0094      3.04652     -112.991     
1 1 1 12 5  2  f 1 44.5   4.1   ?    ?   359.173  152.879      104.715    152.879      160.101     -27.1214     
1 1 1 12 5  3  o 0 96.2   8.2   ?    ?   468.503  -108.972     251.608    -108.972     92.3153     71.028       
1 1 1 12 5  4  o 0 607.8  49.9  ?    ?   968.987  100.906      873.253    100.906      166.812     100.906      
1 1 1 12 5  5  o 0 547.1  44.8  ?    ?   782.485  46.9752      917.474    46.9752      350.837     46.9752      
1 1 1 12 5  6  f 1 69.4   6.1   ?    ?   118.671  -120.244     218.271    -120.244     133.114     -120.244     
1 1 1 12 5  7  o 0 12.3   2.4   ?    ?   105.212  -158.372     19.1899    21.6279      94.4087     21.6279      
1 1 1 12 5  8  o 0 699.4  52.4  ?    ?   1322.92  -86.5144     684.216    -86.5144     204.049     93.4856      
1 1 1 12 5  9  f 1 239.6  17    ?    ?   397.457  46.9337      609.815    46.9337      343.946     46.9337      
1 1 1 12 5  10 o 0 137.9  9.4   ?    ?   529.258  -167.525     309.129    -167.525     43.8215     12.4749      
1 1 1 12 5  11 o 0 12.8   2.4   ?    ?   106.916  61.6979      14.8935    -118.302     85.8008     -118.302     
1 1 1 12 5  12 o 0 666.1  43.3  ?    ?   1151.9   129.191      744.301    129.191      15.4793     -50.8091     
1 1 1 12 5  13 o 0 340.3  22.6  ?    ?   843.733  65.1693      506.949    65.1693      46.5161     -114.831     
1 1 1 12 5  14 o 0 147.8  10.4  ?    ?   281.409  -164.375     450.546    -164.375     266.979     -164.375     
1 1 1 12 5  15 o 0 84.8   6.7   ?    ?   534.285  -114.586     145.861    -114.586     204.345     65.4138      
1 1 1 12 5  16 o 0 29.9   4.3   ?    ?   370.133  -51.4402     11.4177    -51.4402     229.741     128.56       
1 1 1 12 5  17 o 0 357.1  25.6  ?    ?   1092.61  -133.34      333.156    -133.34      322.861     46.6604      
1 1 1 12 5  18 o 0 19.9   5.2   ?    ?   227.053  50.3086      0.878859   50.3086      134.957     -129.691     
1 1 1 12 5  19 o 0 57.1   7     ?    ?   204.989  88.4468      167.181    88.4468      45.4087     88.4468      
1 1 1 12 5  20 o 0 184.8  16.8  ?    ?   500.593  -91.838      375.911    -91.838      80.7671     -91.838      
1 1 1 12 5  21 o 0 252.8  22.6  ?    ?   903.481  43.3362      274.181    43.3362      253.103     -136.664     
1 1 1 12 5  22 o 0 118.3  11.9  ?    ?   486.643  -37.9429     239.203    -37.9429     42.3869     142.057      
1 1 1 12 5  23 o 0 67     11.3  ?    ?   354.62   -131.258     161.845    -131.258     43.8316     48.7421      
1 1 1 12 5  24 o 0 104.6  12    ?    ?   588.392  74.7047      149.018    74.7047      188.942     -105.295     
1 1 1 12 5  25 o 0 79.5   9.3   ?    ?   407.747  136.072      184.854    136.072      64.1322     -43.9279     
1 1 1 12 5  26 o 0 233.4  19.2  ?    ?   449.281  50.4633      493.99     50.4633      222.637     50.4633      
1 1 1 12 5  27 o 0 65     9.6   ?    ?   308.927  1.62149      191.551    1.62149      10.8376     1.62149      
1 1 1 12 5  28 o 0 85.8   10.7  ?    ?   353.368  74.3238      230.815    74.3238      26.634      74.3238      
1 1 1 12 5  29 o 0 50.7   9.2   ?    ?   203.569  -123.861     184.786    -123.861     74.8802     -123.861     
1 1 1 12 5  30 o 0 188.7  18.1  ?    ?   481.464  34.3065      410.194    34.3065      162.819     34.3065      
1 1 1 12 5  31 o 0 469.4  38.8  ?    ?   702.194  -28.343      679.848    -28.343      329.147     -28.343      
1 1 1 12 5  32 o 0 53.6   11.7  ?    ?   319.656  -85.5632     161.233    -85.5632     3.97677     -85.5632     
1 1 1 12 5  33 o 0 23.8   8.6   ?    ?   130.343  179.699      106.996    179.699      25.0491     179.699      
1 1 1 12 5  34 o 0 310.5  29.9  ?    ?   639.963  -91.8997     579.103    -91.8997     175.388     -91.8997     
1 1 1 12 5  35 o 0 77.8   10.9  ?    ?   342.705  -163.205     262.648    -163.205     49.6857     -163.205     
1 1 1 12 5  36 o 0 21.2   8.5   ?    ?   199.116  108.724      90.0025    108.724      28.8858     -71.2757     
1 1 1 12 5  37 f 1 12.7   6.8   ?    ?   138.032  30.9528      57.4073    30.9528      21.0469     -149.047     
1 1 1 12 5  38 o 0 -0.2   6.9   ?    ?   178.331  115.335      21.7187    -64.6652     120.256     -64.6652     
1 1 1 12 5  39 o 0 11.7   8.8   ?    ?   201.025  163.696      53.9078    163.696      39.3993     -16.3044     
1 1 1 12 6  0  o 0 40.9   5.1   ?    ?   118.334  -1.17141e-13 101.962    0            14.0982     7.30056e-13  
1 1 1 12 6  1  o 0 459.7  37.7  ?    ?   846.403  8.80668      763.34     8.80668      138.79      8.80668      
1 1 1 12 6  2  o 0 29.7   3.1   ?    ?   123.047  146.389      61.54      146.389      28.6668     -33.6113     
1 1 1 12 6  4  f 1 239.5  19.9  ?    ?   785.544  -145.665     409.544    -145.665     157.336     34.3349      
1 1 1 12 6  5  o 0 282.5  26.1  ?    ?   668.136  126.079      568.777    126.079      88.4957     126.079      
1 1 1 12 6  6  o 0 92.3   7.4   ?    ?   457.602  -16.7487     238.716    -16.7487     88.1645     163.251      
1 1 1 12 6  7  o 0 51.9   4.7   ?    ?   600.495  -60.2401     4.99802    119.76       407.846     119.76       
1 1 1 12 6  8  o 0 460.1  32.2  ?    ?   596.487  -45.8488     849.992    -45.8488     450.324     -45.8488     
1 1 1 12 6  9  o 0 710.4  46.1  ?    ?   1064.3   72.3283      857.192    72.3283      148.107     72.3283      
1 1 1 12 6  10 o 0 10.6   2.3   ?    ?   139.153  2.47967      32.7294    -177.52      124.929     -177.52      
1 1 1 12 6  11 o 0 140.4  9.7   ?    ?   495.268  87.9284      331.335    87.9284      4.95534     87.9284      
1 1 1 12 6  12 o 0 78.5   6     ?    ?   600.095  -72.8864     92.593     -72.8864     300.741     107.114      
1 1 1 12 6  13 o 0 1030   66.9  ?    ?   1028.11  -112.703     1178.22    -112.703     507.987     -112.703     
1 1 1 12 6  14 o 0 80.8   6.5   ?    ?   393.928  76.2485      209.297    76.2485      48.808      -103.751     
1 1 1 12 6  15 o 0 6.7    3.7   ?    ?   199.897  -166.303     80.66      13.6968      210.889     13.6968      
1 1 1 12 6  16 o 0 5.4    3.8   ?    ?   154.905  -155.883     62.4249    24.1171      155.456     24.1171      
1 1 1 12 6  17 o 0 348.6  23.4  ?    ?   717.986  159.496      533.85     159.496      105.335     159.496      
1 1 1 12 6  18 o 0 313.4  21.2  ?    ?   686.335  47.1302      496.021    47.1302      87.8449     47.1302      
1 1 1 12 6  19 o 0 15.9   5.5   ?    ?   131.074  56.0103      7.51304    -123.99      84.9208     -123.99      
1 1 1 12 6  20 o 0 2.4    5.9   ?    ?   302.046  -175.154     128.261    4.84642      305.312     4.84642      
1 1 1 12 6  21 o 0 330.3  32.5  ?    ?   873.724  -172.705     403.907    -172.705     103.09      7.29463      
1 1 1 12 6  22 o 0 1113.8 118.7 ?    ?   1115.19  -92.5835     1005.55    -92.5835     363.912     -92.5835     
1 1 1 12 6  23 f 1 142.6  13.8  ?    ?   506.043  9.08225      280.13     9.08225      10.9815     -170.918     
1 1 1 12 6  24 o 0 36     8.4   ?    ?   192.619  -111.911     96.9572    -111.911     20.0245     68.0887      
1 1 1 12 6  25 o 0 45.3   9.1   ?    ?   116.282  -6.31501     129.97     -6.31501     59.3486     -6.31501     
1 1 1 12 6  26 o 0 241.1  18.8  ?    ?   638.908  -42.2002     400.597    -42.2001     16.7738     -42.2001     
1 1 1 12 6  27 o 0 14.1   7.7   ?    ?   82.1187  -165.689     6.87768    -165.689     40.9074     14.3108      
1 1 1 12 6  28 o 0 2.9    7.7   ?    ?   255.083  94.4181      66.9921    -85.5819     205.792     -85.5819     
1 1 1 12 6  29 o 0 45.9   9.1   ?    ?   177.362  92.5668      168.412    92.5668      73.1396     92.5668      
1 1 1 12 6  30 f 1 271.4  23.5  ?    ?   875.563  12.6388      350.291    12.6388      96.1889     -167.361     
1 1 1 12 6  31 o 0 76.9   12.3  ?    ?   439.762  -32.9719     184.163    -32.9719     34.4018     147.028      
1 1 1 12 6  32 o 0 88.6   13.7  ?    ?   388.002  -129.291     227.554    -129.291     28.8122     -129.291     
1 1 1 12 6  33 o 0 -2.8   7     ?    ?   24.0543  -144.558     5.19058    35.4422      20.5459     35.4422      
1 1 1 12 6  34 o 0 76.8   12.3  ?    ?   361.128  -155.989     250.315    -155.989     23.0414     -155.989     
1 1 1 12 6  35 o 0 58.4   12.7  ?    ?   417.837  136.769      144.646    136.769      113.846     -43.2308     
1 1 1 12 6  36 o 0 29.1   8.4   ?    ?   110.788  55.7389      169.195    55.7389      105.152     55.7389      
1 1 1 12 6  37 o 0 43.8   7.7   ?    ?   212.176  152.887      212.703    152.887      93.673      152.887      
1 1 1 12 6  38 f 1 25.8   7.9   ?    ?   177.595  117.712      139.888    117.712      47.9011     117.712      
1 1 1 12 6  39 o 0 10.9   7.8   ?    ?   105.513  51.9377      74.6071    51.9377      25.8312     51.9377      
1 1 1 12 7  0  o 0 75     10.6  ?    ?   154.014  -1.04072e-13 206.432    0            93.0723     1.26757e-13  
1 1 1 12 7  1  o 0 134.8  11.3  ?    ?   456.413  -53.6653     377.261    -53.6653     43.2871     -53.6653     
1 1 1 12 7  2  o 0 50.7   4.2   ?    ?   405.406  -62.7715     108.735    -62.7715     186.106     117.229      
1 1 1 12 7  3  o 0 306.1  21.3  ?    ?   750.556  80.408       563.722    80.408       21.2606     80.408       
1 1 1 12 7  4  f 1 24.6   2.5   ?    ?   167.233  55.2566      39.731     55.2566      80.0737     -124.743     
1 1 1 12 7  5  o 0 1024   76.5  ?    ?   1366.18  -132.721     985.736    -132.721     64.2987     -132.721     
1 1 1 12 7  6  o 0 55.2   5.3   ?    ?   271.987  -71.2629     174.493    -71.2629     7.84815     108.737      
1 1 1 12 7  7  o 0 88.2   6.6   ?    ?   392.081  148.875      245.029    148.875      17.4992     -31.125      
1 1 1 12 7  8  o 0 365.8  25.6  ?    ?   751.749  -66.8797     611.645    -66.8797     111.151     -66.8797     
1 1 1 12 7  10 o 0 249    16.5  ?    ?   931.341  95.2413      296.37     95.2413      316.926     -84.7587     
1 1 1 12 7  11 o 0 2.9    2.3   ?    ?   83.9941  -36.5782     44.4136    143.422      99.429      143.422      
1 1 1 12 7  12 o 0 80.7   6.1   ?    ?   336.103  -80.6009     240.691    -80.6009     21.7191     -80.6009     
1 1 1 12 7  13 o 0 412.9  29.1  ?    ?   908.263  -71.3685     562.529    -71.3685     32.2816     108.631      
1 1 1 12 7  14 o 0 29.6   4.2   ?    ?   381.381  24.9117      4.6571     24.9117      243.732     -155.088     
1 1 1 12 7  15 o 0 109.4  8.3   ?    ?   370.54   96.8306      303.517    96.8306      63.5577     96.8306      
1 1 1 12 7  16 o 0 559.3  36.7  ?    ?   1091.4   153.097      582.662    153.097      68.8945     -26.9032     
1 1 1 12 7  17 o 0 72.8   6.8   ?    ?   196.634  159.053      220.65     159.053      103.633     159.053      
1 1 1 12 7  18 o 0 1575   109.1 ?    ?   1829.66  50.5815      965.293    50.5815      116.387     -129.419     
1 1 1 12 7  19 o 0 110.2  11.8  ?    ?   523.2    -141.786     201.8      -141.786     105.356     38.214       
1 1 1 12 7  20 o 0 655.6  61.5  ?    ?   1145.05  51.7765      625.902    51.7765      39.899      -128.224     
1 1 1 12 7  21 o 0 726.6  55.1  ?    ?   1196.14  136.241      665.923    136.241      24.0916     -43.7586     
1 1 1 12 7  22 f 1 900.8  74.6  ?    ?   1223.54  -171.216     786.828    -171.216     80.7023     -171.216     
1 1 1 12 7  23 o 0 21.7   7.7   ?    ?   346.521  -120.246     22.3512    59.7544      221.051     59.7544      
1 1 1 12 7  24 f 1 14     8.1   ?    ?   202.972  -61.2204     17.2581    118.78       140.766     118.78       
1 1 1 12 7  25 o 0 96.6   11.9  ?    ?   302.315  123.252      279.771    123.252      97.2119     123.252      
1 1 1 12 7  26 o 0 686.8  49.5  ?    ?   1025.74  174.116      731.687    174.116      131.282     174.116      
1 1 1 12 7  27 o 0 59     9.3   ?    ?   523.501  -82.8814     64.3137    -82.8814     238.613     97.1186      
1 1 1 12 7  28 o 0 96.8   10.8  ?    ?   302.054  -93.1007     293.661    -93.1007     130.21      -93.1007     
1 1 1 12 7  29 o 0 148.9  15.7  ?    ?   659.275  -81.9354     249.989    -81.9354     89.8137     98.0646      
1 1 1 12 7  30 o 0 64.9   11.2  ?    ?   395.679  -3.29532     164.681    -3.29532     36.5221     176.705      
1 1 1 12 7  31 f 1 322.3  30.5  ?    ?   812.401  143.665      444.564    143.665      43.9669     143.665      
1 1 1 12 7  32 o 0 21.4   8.1   ?    ?   17.8799  -0.584194    21.5379    -0.584194    10.2314     -0.584194    
1 1 1 12 7  33 o 0 6.6    7.1   ?    ?   95.0319  57.5984      10.3515    57.5984      50.0016     -122.402     
1 1 1 12 7  34 o 0 69.4   9.2   ?    ?   420.86   0.931487     193.725    0.931487     69.8018     -179.069     
1 1 1 12 7  35 f 1 17.6   9.5   ?    ?   197.97   -17.8403     66.5537    -17.8403     52.3553     162.16       
1 1 1 12 7  36 o 0 19.6   9.6   ?    ?   168.13   177.79       90.6977    177.79       6.01896     -2.2097      
1 1 1 12 7  37 o 0 0.1    8.3   ?    ?   60.2599  -140.129     9.86345    -140.129     23.78       39.8709      
1 1 1 12 7  38 o 0 -3.6   6.7   ?    ?   37.1895  -74.971      0.731652   -74.971      18.4898     105.029      
1 1 1 12 7  39 o 0 8.5    8.5   ?    ?   124.702  112.818      59.8424    112.818      2.46187     112.818      
1 1 1 12 8  0  o 0 156.9  14.9  ?    ?   283.349  -2.70717e-14 382.303    0            186.937     2.82925e-14  
1 1 1 12 8  1  o 0 776.5  50.2  ?    ?   1051.14  -135.658     970.736    -135.658     249.911     -135.658     
1 1 1 12 8  2  o 0 35.4   2.9   ?    ?   125.02   -3.69369     82.2832    -3.69369     2.96236     176.306      
1 1 1 12 8  3  o 0 113.4  8.2   ?    ?   349.459  -132.634     347.09     -132.634     110.202     -132.634     
1 1 1 12 8  4  f 1 1039.8 67.3  ?    ?   1366.61  51.8862      1004.87    51.8862      82.0466     51.8862      
1 1 1 12 8  5  o 0 343.6  24.1  ?    ?   806.207  -7.62042     548.192    -7.62042     5.58009     -7.62042     
1 1 1 12 8  6  o 0 168.4  12    ?    ?   714.005  -147.507     271.32     -147.507     206.463     32.4931      
1 1 1 12 8  7  o 0 57.8   4.7   ?    ?   423.916  151.059      119.184    151.059      162.88      -28.9408     
1 1 1 12 8  8  o 0 138.1  10.2  ?    ?   589.339  -140.425     271.686    -140.425     118.28      39.5752      
1 1 1 12 8  9  o 0 30.4   3.3   ?    ?   397.169  -3.84463     5.45409    -3.84463     255.929     176.155      
1 1 1 12 8  10 o 0 34.1   3.3   ?    ?   320.667  79.3726      58.7436    79.3726      151.166     -100.627     
1 1 1 12 8  11 f 1 44.1   4.3   ?    ?   439.859  -89.0266     51.9783    -89.0266     233.693     90.9734      
1 1 1 12 8  12 o 0 107.5  7.8   ?    ?   441.359  -135.488     265.197    -135.488     23.7019     44.5115      
1 1 1 12 8  13 o 0 120.1  8.7   ?    ?   614.553  49.0437      199.536    49.0437      200.566     -130.956     
1 1 1 12 8  14 f 1 513.4  33.7  ?    ?   1123.72  174.186      557.038    174.186      168.656     -5.81438     
1 1 1 12 8  15 f 1 43.2   4.7   ?    ?   311.002  40.0983      93.635     40.0983      91.5554     -139.902     
1 1 1 12 8  16 o 0 171.6  12.2  ?    ?   692.353  146.312      251.06     146.312      161.077     -33.6883     
1 1 1 12 8  17 o 0 737.6  51.7  ?    ?   1068.63  -99.6564     767.549    -99.6564     135.395     -99.6564     
1 1 1 12 8  18 o 0 60.8   7.2   ?    ?   230.781  26.2662      176.789    26.2662      41.1685     26.2662      
1 1 1 12 8  19 o 0 11.1   5.6   ?    ?   220.059  76.3081      49.8006    -103.692     177.94      -103.692     
1 1 1 12 8  20 o 0 137.4  12.8  ?    ?   554.597  30.7672      247.759    30.7672      72.7813     -149.233     
1 1 1 12 8  21 f 1 327.9  24.1  ?    ?   1019.62  50.846       319.214    50.846       263.932     -129.154     
1 1 1 12 8  22 o 0 282.6  23.6  ?    ?   528.148  -93.9003     511.676    -93.9003     207.924     -93.9003     
1 1 1 12 8  23 o 0 226.4  20.1  ?    ?   379.433  111.47       522.554    111.47       292.619     111.47       
1 1 1 12 8  24 o 0 34.3   8.7   ?    ?   221.916  86.7457      93.1045    86.7457      41.4678     -93.2543     
1 1 1 12 8  25 o 0 296.6  25.5  ?    ?   771.075  17.2752      411.288    17.2752      51.5607     -162.725     
1 1 1 12 8  26 o 0 653.1  46.8  ?    ?   1115.56  144.601      643.613    144.601      5.48593     -35.3989     
1 1 1 12 8  27 o 0 73.6   9.9   ?    ?   292.352  -16.9375     234.87     -16.9375     75.6808     -16.9375     
1 1 1 12 8  28 o 0 40.6   8.8   ?    ?   160.658  -79.4047     147.853    -79.4047     61.4264     -79.4047     
1 1 1 12 8  29 o 0 1.6    8.7   ?    ?   80.5129  103.433      12.2383    -76.5665     53.4943     -76.5665     
1 1 1 12 8  30 o 0 72.9   13.6  ?    ?   333.621  -150.482     217.945    -150.482     51.6179     -150.482     
1 1 1 12 8  31 o 0 13     8.4   ?    ?   287.436  -17.4078     9.50992    162.592      157.321     162.592      
1 1 1 12 8  32 f 1 45.5   7.7   ?    ?   171.456  34.0462      227.071    34.0462      119.541     34.0462      
1 1 1 12 8  33 o 0 7.3    7.1   ?    ?   56.1712  -10.8734     11.4513    -10.8734     24.0222     169.127      
1 1 1 12 8  34 f 1 49.4   8.7   ?    ?   300.037  3.40177      186.253    3.40177      0.0987495   -176.598     
1 1 1 12 8  35 o 0 134.1  14.3  ?    ?   428.068  -80.5448     368.809    -80.5448     112.44      -80.5448     
1 1 1 12 8  36 o 0 5      10    ?    ?   44.5609  97.3946      18.6726    97.3946      6.82258     -82.6054     
1 1 1 12 8  37 o 0 24.8   10.6  ?    ?   167.445  -92.5527     117.504    -92.5527     24.5162     -92.5527     
1 1 1 12 8  38 o 0 18.9   8.8   ?    ?   221.647  18.9179      72.5532    18.9179      41.4034     -161.082     
1 1 1 12 9  0  o 0 601.6  55.4  ?    ?   1127.41  180          750.526    180          23.7843     1.99592e-13  
1 1 1 12 9  1  o 0 570.8  37    ?    ?   1134     157.031      666.098    157.031      108.87      -22.969      
1 1 1 12 9  2  o 0 102.6  7     ?    ?   355.787  14.7816      312.476    14.7816      70.6136     14.7816      
1 1 1 12 9  3  o 0 64.3   4.7   ?    ?   238.626  139.506      222.23     139.506      60.897      139.506      
1 1 1 12 9  4  o 0 112.4  7.7   ?    ?   286.561  -59.8277     367.468    -59.8277     174.8       -59.8277     
1 1 1 12 9  5  o 0 46     4     ?    ?   232.494  -176.729     143.753    -176.729     11.6953     3.27144      
1 1 1 12 9  6  o 0 76.7   5.9   ?    ?   383.151  122.731      209.733    122.731      45.0329     -57.2689     
1 1 1 12 9  7  o 0 36.1   3.5   ?    ?   82.8277  -140.231     64.4572    -140.231     9.68344     -140.231     
1 1 1 12 9  8  o 0 91.9   7     ?    ?   451.881  -153.905     220.955    -153.905     76.2649     26.0954      
1 1 1 12 9  9  o 0 1361.9 94.3  ?    ?   1553.72  73.9967      1118.02    73.9967      101.509     73.9967      
1 1 1 12 9  10 o 0 270.2  17.9  ?    ?   747.91   -107.308     445.486    -107.308     41.2483     72.6916      
1 1 1 12 9  11 o 0 43.9   4.4   ?    ?   218.814  -95.8701     128.025    -95.8701     15.1338     84.1299      
1 1 1 12 9  12 o 0 3.5    2.8   ?    ?   192.708  165.865      97.6427    -14.1353     223.052     -14.1353     
1 1 1 12 9  13 o 0 310.1  20.7  ?    ?   726.169  135.101      513.405    135.101      43.3854     135.101      
1 1 1 12 9  14 o 0 287    19.2  ?    ?   906.986  92.6664      335.467    92.6664      205.916     -87.3336     
1 1 1 12 9  15 o 0 15.5   4.4   ?    ?   171.494  9.11777      13.108     -170.882     114.886     -170.882     
1 1 1 12 9  16 o 0 19.4   4     ?    ?   292.517  64.8526      19.2565    -115.147     192.347     -115.147     
1 1 1 12 9  17 o 0 548.3  41.7  ?    ?   815.464  113.252      712.74     113.252      233.242     113.252      
1 1 1 12 9  18 o 0 1396.9 104.6 ?    ?   1593.37  -90.7648     966.114    -90.7648     35.4214     -90.7648     
1 1 1 12 9  19 o 0 107    10.5  ?    ?   688.168  23.7326      106.608    23.7326      291.663     -156.267     
1 1 1 12 9  20 o 0 161.1  12.6  ?    ?   455.2    -138.11      345.859    -138.11      84.3848     -138.11      
1 1 1 12 9  21 o 0 76.8   8.4   ?    ?   329.72   -12.2099     201.678    -12.2099     11.6191     -12.2099     
1 1 1 12 9  22 o 0 838.1  59.1  ?    ?   911.018  49.6284      900.819    49.6284      380.124     49.6284      
1 1 1 12 9  23 o 0 29.7   8.2   ?    ?   247.071  103.852      65.1469    103.852      85.1793     -76.1481     
1 1 1 12 9  24 o 0 37     9.8   ?    ?   133.823  74.9549      103.212    74.9549      22.5673     74.9549      
1 1 1 12 9  25 o 0 86.3   11.5  ?    ?   450.038  114.75       186.837    114.75       76.2118     -65.2496     
1 1 1 12 9  26 o 0 108.1  11.7  ?    ?   404.128  -51.4928     264.951    -51.4928     31.2766     -51.4928     
1 1 1 12 9  27 o 0 20.4   7.7   ?    ?   180.676  97.517       47.5812    97.517       50.1842     -82.483      
1 1 1 12 9  28 o 0 24.7   9.3   ?    ?   188.847  -144.214     76.779     -144.214     20.6228     35.7855      
1 1 1 12 9  29 o 0 18.7   8.6   ?    ?   121.171  141.798      43.6316    141.798      18.0727     -38.202      
1 1 1 12 9  30 o 0 52.3   10.4  ?    ?   342.437  -123.043     150.854    -123.043     18.8134     56.9567      
1 1 1 12 9  31 f 1 175.9  15.3  ?    ?   500.037  -9.91114     447.904    -9.91114     131.566     -9.91114     
1 1 1 12 9  32 o 0 19.6   7.2   ?    ?   81.2879  151.798      86.6224    151.798      34.8006     151.798      
1 1 1 12 9  33 o 0 16.6   6.9   ?    ?   65.9024  -74.5683     65.5336    -74.5683     24.0761     -74.5683     
1 1 1 12 9  34 o 0 68.8   9.2   ?    ?   426.871  -174.597     192.149    -174.597     66.3189     5.40349      
1 1 1 12 9  35 o 0 3.5    9.9   ?    ?   233.735  131.618      15.9293    -48.3822     151.237     -48.3822     
1 1 1 12 9  36 o 0 -4.7   9.6   ?    ?   74.3797  -33.7127     5.96954    -33.7127     35.8558     146.287      
1 1 1 12 9  37 o 0 -11    9.3   ?    ?   32.6699  -101.937     1.6953     -101.937     15.3263     78.0625      
1 1 1 12 9  38 f 1 33.5   9     ?    ?   189.045  -171.771     182.196    -171.771     94.6569     -171.771     
1 1 1 12 10 0  o 0 1215   111.4 ?    ?   1426.21  -1.82851e-14 1052.53    0            81.3503     2.18291e-13  
1 1 1 12 10 1  o 0 370.6  24.2  ?    ?   890.925  37.486       541.359    37.486       62.5827     -142.514     
1 1 1 12 10 2  f 1 40.9   3.4   ?    ?   342.352  -168.474     86.7231    -168.474     143.637     11.5258      
1 1 1 12 10 3  o 0 54.1   4.2   ?    ?   379.686  -10.2014     127.828    -10.2014     127.018     169.799      
1 1 1 12 10 4  o 0 755.3  49.1  ?    ?   1191.81  -143.008     826.159    -143.008     30.3566     -143.008     
1 1 1 12 10 5  o 0 17.3   2.5   ?    ?   300.692  178.224      36.2645    -1.77632     235.99      -1.77632     
1 1 1 12 10 6  o 0 9.6    2.3   ?    ?   437.492  42.3624      162.902    -137.638     451.962     -137.638     
1 1 1 12 10 7  o 0 276.4  23.1  ?    ?   769.627  8.77166      446.183    8.77166      59.652      -171.228     
1 1 1 12 10 8  o 0 925.7  64.1  ?    ?   1166.72  153.908      995.891    153.908      233.08      153.908      
1 1 1 12 10 9  o 0 390.8  25.7  ?    ?   787.005  151.256      609.122    151.256      91.8147     151.256      
1 1 1 12 10 10 o 0 1.2    2.2   ?    ?   186.514  -98.5795     107.229    81.4205      229.187     81.4205      
1 1 1 12 10 11 o 0 21.7   3     ?    ?   216.539  78.7225      14.0306    78.7225      126.817     -101.277     
1 1 1 12 10 12 o 0 395.6  27.9  ?    ?   947.133  79.7642      470.211    79.7642      98.0469     -100.236     
1 1 1 12 10 13 o 0 187.2  15.2  ?    ?   593.462  -153.494     338.29     -153.494     15.838      26.5057      
1 1 1 12 10 14 o 0 521.5  36.6  ?    ?   1105.26  -18.6653     526.096    -18.6653     131.75      161.335      
1 1 1 12 10 15 o 0 50.8   5.4   ?    ?   129.782  -177.337     126.966    -177.337     50.1688     -177.337     
1 1 1 12 10 16 o 0 27.2   4.5   ?    ?   129.114  103.607      40.7187    103.607      35.2197     -76.3926     
1 1 1 12 10 17 o 0 648    49.1  ?    ?   777.243  139.14       832.566    139.14       378.339     139.14       
1 1 1 12 10 18 o 0 105.1  10.3  ?    ?   710.044  -39.2981     90.1185    -39.2981     321.161     140.702      
1 1 1 12 10 19 o 0 5.6    6.4   ?    ?   156.176  -62.7502     51.7657    117.25       141.585     117.25       
1 1 1 12 10 20 o 0 1.4    5.4   ?    ?   109.957  -30.1481     45.3018    149.852      108.787     149.852      
1 1 1 12 10 21 o 0 9.4    5.9   ?    ?   181.024  117.747      42.3636    -62.2527     146.043     -62.2527     
1 1 1 12 10 22 o 0 152.4  14.1  ?    ?   601.437  104.056      261.448    104.056      101.676     -75.9444     
1 1 1 12 10 23 o 0 134.4  13.8  ?    ?   252.384  -62.5673     392.404    -62.5673     239.842     -62.5673     
1 1 1 12 10 24 f 1 49.4   9.5   ?    ?   246.393  -89.2384     149.179    -89.2384     2.0465      -89.2384     
1 1 1 12 10 25 o 0 256.9  23.4  ?    ?   810.535  -10.4009     333.286    -10.4009     137.368     169.599      
1 1 1 12 10 26 o 0 717    51.3  ?    ?   1281.59  34.8652      635.915    34.8652      60.927      -145.135     
1 1 1 12 10 27 o 0 476.2  40.5  ?    ?   987.299  -177.016     536.813    -177.016     6.10088     -177.016     
1 1 1 12 10 28 o 0 28.8   8.8   ?    ?   76.5954  131.716      76.5043    131.716      37.2593     131.716      
1 1 1 12 10 29 o 0 111.8  14.1  ?    ?   451.744  -174.217     267.866    -174.217     42.5105     -174.217     
1 1 1 12 10 30 o 0 40     8.7   ?    ?   213.849  123.803      153.63     123.803      43.5117     123.803      
1 1 1 12 10 31 f 1 136.4  12.8  ?    ?   307.293  79.1244      461.074    79.1244      267.949     79.1244      
1 1 1 12 10 32 o 0 -6.1   6.6   ?    ?   81.8874  -48.5371     26.6627    131.463      78.5247     131.463      
1 1 1 12 10 33 o 0 37.9   8.7   ?    ?   262.502  123.965      155.059    123.965      8.99703     -56.0352     
1 1 1 12 10 34 o 0 25.5   8.6   ?    ?   151.776  -47.72       135.31     -47.72       44.0076     -47.72       
1 1 1 12 10 35 o 0 38.3   7.8   ?    ?   295.072  19.9386      146.893    19.9386      22.8195     -160.061     
1 1 1 12 10 36 o 0 12.5   7.9   ?    ?   190.454  179.65       44.3247    179.65       62.0849     -0.349922    
1 1 1 12 10 37 o 0 14.7   10.1  ?    ?   185      -7.38195     62.5814    -7.38195     33.1928     172.618      
1 1 1 12 11 0  o 0 709.9  65.3  ?    ?   1011.47  -7.34667e-15 801.709    0            118.895     4.21917e-14  
1 1 1 12 11 1  o 0 256.2  16.9  ?    ?   507.261  -3.62114     581.839    -3.62114     240.788     -3.62114     
1 1 1 12 11 2  o 0 135.4  9.2   ?    ?   648.786  167.854      231.878    167.854      202.41      -12.1456     
1 1 1 12 11 3  o 0 227.7  15.1  ?    ?   567.408  -88.4836     486.5      -88.4836     108.452     -88.4836     
1 1 1 12 11 4  o 0 1780.9 132.8 ?    ?   1786.83  -101.699     1279.41    -101.699     94.6428     -101.699     
1 1 1 12 11 5  o 0 1215.6 90.9  ?    ?   1483.39  66.9037      1053.84    66.9037      75.1352     66.9037      
1 1 1 12 11 6  o 0 15.3   2.7   ?    ?   155.158  -177.37      10.4033    2.62959      112.259     2.62959      
1 1 1 12 11 7  o 0 44.6   4.2   ?    ?   420.537  50.5769      60.0125    50.5769      217.58      -129.423     
1 1 1 12 11 8  o 0 248.4  16.5  ?    ?   578.528  140.332      502.794    140.332      122.858     140.332      
1 1 1 12 11 9  o 0 106    8.2   ?    ?   178.162  -50.7961     345.77     -50.7962     229.365     -50.7962     
1 1 1 12 11 10 o 0 348.6  26.6  ?    ?   929.602  51.382       450.022    51.382       154.209     -128.618     
1 1 1 12 11 11 o 0 65.9   6     ?    ?   127.234  86.2301      176.252    86.2301      99.9615     86.2301      
1 1 1 12 11 12 f 1 874.2  56.8  ?    ?   1406.95  69.7865      709.869    69.7865      127.088     -110.213     
1 1 1 12 11 14 o 0 638.1  44.6  ?    ?   1160.89  -97.0217     616.334    -97.0217     70.4376     82.9783      
1 1 1 12 11 15 o 0 3.6    3.7   ?    ?   41.5971  105.334      18.0984    -74.6656     42.5622     -74.6656     
1 1 1 12 11 16 o 0 379.9  29.2  ?    ?   939.013  -33.1542     437.702    -33.1542     111.151     146.846      
1 1 1 12 11 17 f 1 681.4  51.5  ?    ?   1180.09  -62.1282     636.472    -62.1282     45.6008     117.872      
1 1 1 12 11 18 o 0 730.5  51.4  ?    ?   1172.49  135.995      682.877    135.995      8.07027     135.995      
1 1 1 12 11 19 o 0 -0.2   5     ?    ?   87.071   -164.995     39.1515    15.0052      88.9031     15.0052      
1 1 1 12 11 20 o 0 30.2   6.3   ?    ?   295.621  -47.8435     44.7187    -47.8435     124.842     132.157      
1 1 1 12 11 21 f 1 418.1  30.5  ?    ?   863.589  49.1272      539.938    49.1272      18.8987     49.1272      
1 1 1 12 11 22 o 0 153.9  14.2  ?    ?   526.287  177.282      303.709    177.282      15.1683     -2.71781     
1 1 1 12 11 23 o 0 128.2  12.9  ?    ?   415.163  -121.509     303.211    -121.509     53.9536     -121.509     
1 1 1 12 11 24 o 0 56.4   9.6   ?    ?   326.33   171.54       154.225    171.54       35.9044     -8.45998     
1 1 1 12 11 25 f 1 67     11.3  ?    ?   357.346  -130.27      172.766    -130.27      32.7759     49.7305      
1 1 1 12 11 26 o 0 18.4   7.9   ?    ?   323.288  34.2562      5.11462    -145.744     179.68      -145.744     
1 1 1 12 11 27 o 0 402.3  35.6  ?    ?   888.737  -33.7801     517.024    -33.7801     59.3269     -33.7801     
1 1 1 12 11 28 f 1 25.2   9.1   ?    ?   214.967  97.8674      73.1973    97.8674      35.8947     -82.1326     
1 1 1 12 11 29 o 0 62.7   10.9  ?    ?   508.364  -51.4295     111.252    -51.4295     140.575     128.571      
1 1 1 12 11 30 o 0 65.1   8.8   ?    ?   435.798  89.1011      178.622    89.1012      97.9207     -90.8988     
1 1 1 12 11 31 o 0 136.7  14.5  ?    ?   410.316  153.287      397.519    153.287      135.626     153.287      
1 1 1 12 11 32 o 0 14.8   8.2   ?    ?   77.9766  45.0318      58.9581    45.0318      9.81075     45.0318      
1 1 1 12 11 33 o 0 94.7   10.3  ?    ?   267.525  120.084      362.36     120.084      199.943     120.084      
1 1 1 12 11 34 o 0 17.2   7.1   ?    ?   254.541  -84.8565     46.584     -84.8565     101.274     95.1435      
1 1 1 12 11 35 o 0 1      7.2   ?    ?   155.508  -10.7534     6.46977    169.247      94.2845     169.247      
1 1 1 12 11 36 o 0 30.4   8.2   ?    ?   259.852  -22.8942     133.774    -22.8942     2.29253     157.106      
1 1 1 12 11 37 o 0 8.3    11.2  ?    ?   154.325  55.4524      58.6739    55.4524      13.3883     -124.548     
1 1 1 12 12 1  o 0 468    30.5  ?    ?   866.107  -157.173     691.024    -157.173     113.596     -157.173     
1 1 1 12 12 2  f 1 105.4  7.9   ?    ?   395.456  139.127      294.507    139.127      32.5799     139.127      
1 1 1 12 12 3  o 0 146.9  10    ?    ?   561.367  146.178      305.9      146.178      69.2372     -33.8225     
1 1 1 12 12 4  o 0 53.3   5.1   ?    ?   356.646  145.83       129.269    145.83       107.994     -34.17       
1 1 1 12 12 5  o 0 972.9  67.5  ?    ?   1265.72  20.8043      971.129    20.8043      133.001     20.8043      
1 1 1 12 12 6  o 0 44     4.2   ?    ?   243.368  -119.048     126.132    -119.048     34.2511     60.9522      
1 1 1 12 12 7  o 0 179.4  13    ?    ?   542.362  -168.363     385.411    -168.363     29.7244     -168.363     
1 1 1 12 12 8  f 1 193.2  14    ?    ?   645.531  -23.1668     352.841    -23.1668     67.3284     156.833      
1 1 1 12 12 9  o 0 55     5.1   ?    ?   242.527  -57.5507     158.775    -57.5507     12.7464     -57.5507     
1 1 1 12 12 10 o 0 141.2  9.9   ?    ?   682.155  8.91318      195.492    8.91318      213.143     -171.087     
1 1 1 12 12 11 o 0 67.8   5.6   ?    ?   489.764  -49.876      103.131    -49.876      189.617     130.124      
1 1 1 12 12 12 o 0 260.5  20.2  ?    ?   960.372  -9.81202     258.458    -9.81202     312.515     170.188      
1 1 1 12 12 13 o 0 321.5  23    ?    ?   764.873  -55.4655     461.109    -55.4655     8.87543     -55.4655     
1 1 1 12 12 14 o 0 972.7  67.5  ?    ?   1439.36  177.117      754.513    177.117      91.6467     -2.88295     
1 1 1 12 12 15 o 0 12.6   4.1   ?    ?   238.993  39.286       42.7191    -140.714     182.079     -140.714     
1 1 1 12 12 16 o 0 7.2    4.2   ?    ?   321.138  -54.3078     114.398    125.692      300.489     125.692      
1 1 1 12 12 17 o 0 140.7  11.9  ?    ?   677.556  142.293      189.391    142.293      200.665     -37.7066     
1 1 1 12 12 18 o 0 186    15    ?    ?   636.613  -172.193     297.795    -172.193     70.3585     7.80748      
1 1 1 12 12 19 o 0 18.8   6     ?    ?   303.423  31.9849      18.5816    -148.015     192.771     -148.015     
1 1 1 12 12 20 o 0 25.4   6.1   ?    ?   405.702  -129.861     24.3485    50.1388      270.064     50.1388      
1 1 1 12 12 21 o 0 178.4  14.2  ?    ?   577.88   66.7799      325.94     66.7799      24.7792     -113.22      
1 1 1 12 12 22 o 0 410.8  30.8  ?    ?   636.659  -89.4746     647.13     -89.4746     264.085     -89.4746     
1 1 1 12 12 23 o 0 51.6   8.6   ?    ?   243.354  -112.305     169.931    -112.305     27.7808     -112.305     
1 1 1 12 12 24 o 0 91.1   14    ?    ?   216.368  -59.5844     297.147    -59.5844     171.988     -59.5844     
1 1 1 12 12 25 o 0 67.8   11.3  ?    ?   493.655  166.214      123.532    166.214      143.992     -13.7858     
1 1 1 12 12 26 o 0 264.2  25.4  ?    ?   813.086  164.71       372.56     164.71       47.9281     -15.2903     
1 1 1 12 12 27 o 0 163.2  17.8  ?    ?   485.679  -14.5429     356.769    -14.5429     108.48      -14.5429     
1 1 1 12 12 28 f 1 35.1   8.8   ?    ?   205.36   -130.332     134.703    -130.332     32.6898     -130.332     
1 1 1 12 12 29 o 0 71.1   9.9   ?    ?   494.279  19.412       134.058    19.412       120.201     -160.588     
1 1 1 12 12 30 o 0 300.9  26.2  ?    ?   630.359  -52.6517     588.391    -52.6517     183.368     -52.6517     
1 1 1 12 12 31 o 0 30.3   7.4   ?    ?   89.3582  105.518      158.102    105.518      101.492     105.518      
1 1 1 12 12 32 o 0 19     6.8   ?    ?   221.312  103.12       67.6925    103.12       70.7573     -76.8796     
1 1 1 12 12 33 o 0 2.5    6.7   ?    ?   131.551  76.8653      6.9138     -103.135     86.1849     -103.135     
1 1 1 12 12 34 o 0 -2.2   6.7   ?    ?   104.719  -36.6801     13.9379    143.32       74.3144     143.32       
1 1 1 12 12 35 f 1 34.8   8.7   ?    ?   411.781  -109.293     68.4609    -109.293     161.745     70.7066      
1 1 1 12 12 36 o 0 15     8.3   ?    ?   142.079  56.9041      80.4422    56.9041      6.59773     56.9041      
1 1 1 12 12 37 o 0 7.5    9.6   ?    ?   166.956  -167.706     47.2461    -167.706     30.1367     12.2943      
1 1 1 12 13 0  f 1 315.8  34.1  ?    ?   388.648  180          525.843    180          266.109     180          
1 1 1 12 13 1  o 0 62.6   5.4   ?    ?   471.633  -139.674     107.205    -139.674     207.806     40.3263      
1 1 1 12 13 2  o 0 106.6  7.6   ?    ?   490.158  -43.5446     239.85     -43.5446     86.3734     136.455      
1 1 1 12 13 3  o 0 55.4   4.6   ?    ?   261.209  161.277      172.54     161.277      0.63381     -18.7233     
1 1 1 12 13 4  o 0 119.7  10.5  ?    ?   272.998  141.436      378.455    141.436      198.214     141.436      
1 1 1 12 13 5  o 0 77.2   6.5   ?    ?   377.811  -71.6249     205.971    -71.6249     42.3853     108.375      
1 1 1 12 13 6  o 0 342    26.1  ?    ?   844.416  20.3293      460.132    20.3293      52.2928     -159.671     
1 1 1 12 13 7  o 0 144.4  10.1  ?    ?   534.921  -139.98      285.071    -139.98      38.0259     40.0202      
1 1 1 12 13 8  o 0 1178.5 76.3  ?    ?   1347.39  -27.596      998.529    -27.596      188.599     -27.596      
1 1 1 12 13 9  o 0 181.9  12.6  ?    ?   405.534  6.37427      425.355    6.37427      182.041     6.37427      
1 1 1 12 13 10 o 0 413.6  27.3  ?    ?   852.023  126.309      543.032    126.309      34.414      126.309      
1 1 1 12 13 11 o 0 122.3  9.4   ?    ?   487.548  -21.518      252.675    -21.518      36.8565     158.482      
1 1 1 12 13 12 o 0 386.7  27.3  ?    ?   1120.41  88.217       348.546    88.217       313.24      -91.783      
1 1 1 12 13 13 o 0 1413.2 98    ?    ?   1288.25  72.8568      1163.9     72.8568      407.196     72.8568      
1 1 1 12 13 14 o 0 372.4  28.7  ?    ?   948.363  -95.2938     423.504    -95.2938     129.138     84.7062      
1 1 1 12 13 15 o 0 61.3   6.5   ?    ?   182.785  142.436      181.544    142.436      75.672      142.436      
1 1 1 12 13 16 o 0 156.7  12.6  ?    ?   592.373  -106.475     268.029    -106.475     72.9149     73.5252      
1 1 1 12 13 17 o 0 182.7  14.7  ?    ?   502.81   60.4663      362.121    60.4664      71.3347     60.4664      
1 1 1 12 13 18 o 0 47.8   6.9   ?    ?   96.8639  7.51336      108.785    7.51336      53.159      7.51336      
1 1 1 12 13 19 o 0 7.7    5.4   ?    ?   293.285  151.206      97.4845    -28.7941     275.231     -28.7941     
1 1 1 12 13 20 o 0 19.4   6.6   ?    ?   196.394  -48.6612     16.8162    -48.6612     102.498     131.339      
1 1 1 12 13 21 o 0 274.6  21.7  ?    ?   773.778  173.975      378.611    173.975      87.5863     -6.02468     
1 1 1 12 13 22 o 0 165.9  16    ?    ?   231.183  50.0981      471.717    50.0981      336.429     50.0981      
1 1 1 12 13 23 o 0 79.2   10.7  ?    ?   282.622  36.5247      243.721    36.5247      79.8641     36.5247      
1 1 1 12 13 24 o 0 27.8   10.9  ?    ?   110.592  -25.6709     76.3329    -25.6709     16.234      -25.6709     
1 1 1 12 13 25 o 0 25.7   9.4   ?    ?   260.884  71.1275      56.0598    71.1275      84.2431     -108.872     
1 1 1 12 13 26 o 0 338.1  31.7  ?    ?   864.522  -170.6       445.082    -170.6       1.4263      -170.6       
1 1 1 12 13 27 o 0 105.7  13.3  ?    ?   479.495  170.706      241.987    170.706      2.12952     170.706      
1 1 1 12 13 28 o 0 26.2   9.1   ?    ?   236.21   -126.171     81.2129    -126.171     40.9015     53.8294      
1 1 1 12 13 29 o 0 29.9   6.9   ?    ?   237.982  -172.604     127.88     -172.604     22.854      7.39643      
1 1 1 12 13 30 f 1 174.3  16.4  ?    ?   601.248  -45.9242     369.77     -45.9242     12.523      134.076      
1 1 1 12 13 31 o 0 106.1  11.8  ?    ?   491.602  47.2427      264.646    47.2427      45.0123     -132.757     
1 1 1 12 13 32 o 0 -3     6.3   ?    ?   118.485  -161.024     26.591     18.976       98.5283     18.976       
1 1 1 12 13 33 o 0 71.2   9     ?    ?   266.945  -43.7019     289.488    -43.7019     134.311     -43.7019     
1 1 1 12 13 34 o 0 16.4   6.9   ?    ?   221.888  -9.28716     59.6649    -9.28716     65.8131     170.713      
1 1 1 12 13 35 o 0 35.9   7.3   ?    ?   204.334  160.421      188.098    160.421      80.8721     160.421      
1 1 1 12 13 36 o 0 18.6   8.4   ?    ?   249.961  138.251      73.3537    138.251      43.7029     -41.7488     
1 1 1 12 14 1  o 0 94.1   7     ?    ?   523.236  88.2887      169.436    88.2887      151.697     -91.7113     
1 1 1 12 14 2  o 0 174.2  12.6  ?    ?   721.074  -36.3717     248.853    -36.3717     192.313     143.628      
1 1 1 12 14 3  o 0 171.8  13.4  ?    ?   478.239  110.628      376.598    110.628      85.0265     110.628      
1 1 1 12 14 4  o 0 976.8  73.2  ?    ?   1067.56  108.508      1008.79    108.508      360.391     108.508      
1 1 1 12 14 5  o 0 2155.2 148.9 ?    ?   1994.4   -121.336     1244.7     -121.336     38.2889     -121.336     
1 1 1 12 14 6  o 0 -3.5   2.9   ?    ?   451.705  3.94157      254.297    -176.058     527.196     -176.058     
1 1 1 12 14 7  o 0 12.7   3     ?    ?   137.715  -46.2928     20.5832    133.707      103.413     133.707      
1 1 1 12 14 8  o 0 45.1   4.3   ?    ?   491.367  -159.228     21.2451    -159.228     272.917     20.7719      
1 1 1 12 14 9  o 0 359    23.8  ?    ?   643.719  37.2572      585.814    37.2572      202.299     37.2572      
1 1 1 12 14 10 o 0 45.5   5.2   ?    ?   132.495  -21.93       110.053    -21.93       31.5087     -21.93       
1 1 1 12 14 11 o 0 8.6    3.5   ?    ?   274.92   159.624      89.1665    -20.3758     251.3       -20.3758     
1 1 1 12 14 12 o 0 322.1  24.8  ?    ?   793.036  -140.143     443.36     -140.143     20.8186     39.8569      
1 1 1 12 14 13 o 0 199.7  16    ?    ?   669.72   59.1006      312.566    59.1006      77.2449     -120.899     
1 1 1 12 14 14 o 0 644.2  45.2  ?    ?   1225.75  -8.26003     573.506    -8.26003     135.784     171.74       
1 1 1 12 14 15 o 0 72     8.8   ?    ?   384.868  -114.024     163.153    -114.024     58.1945     65.9763      
1 1 1 12 14 16 o 0 111.9  10    ?    ?   803.668  -0.555197    51.6244    -0.555197    412.921     179.445      
1 1 1 12 14 17 o 0 1123.9 84.7  ?    ?   1319.18  -61.6506     894.992    -61.6506     137.604     -61.6506     
1 1 1 12 14 18 o 0 228.1  17.6  ?    ?   593.78   -128.378     413.09     -128.378     53.2075     -128.378     
1 1 1 12 14 19 f 1 96.5   9.1   ?    ?   517.549  132.705      174.624    132.705      139.109     -47.2946     
1 1 1 12 14 20 o 0 14.7   6.2   ?    ?   86.0176  -104.775     1.90487    -104.775     49.9583     75.2248      
1 1 1 12 14 21 o 0 45.3   7.6   ?    ?   267.884  -154.472     138.446    -154.472     18.4954     25.5278      
1 1 1 12 14 22 o 0 201.6  17.4  ?    ?   572.364  31.123       372.658    31.123       40.3072     31.123       
1 1 1 12 14 23 o 0 16.2   8     ?    ?   120.2    94.8632      25.8193    94.8632      39.63       -85.1368     
1 1 1 12 14 24 o 0 -4.5   9.3   ?    ?   10.0821  -125.274     2.72612    54.7257      8.16153     54.7257      
1 1 1 12 14 25 f 1 185.7  25.3  ?    ?   370.692  -80.4581     449.371    -80.4581     259.069     -80.4581     
1 1 1 12 14 26 o 0 90.8   15.6  ?    ?   629.946  19.1771      132.111    19.1771      184.1       -160.823     
1 1 1 12 14 27 o 0 95.7   12.5  ?    ?   456.153  127.407      225.781    127.407      0.537512    -52.5931     
1 1 1 12 14 28 o 0 39.6   6.8   ?    ?   254.007  26.5632      172.17     26.5632      10.5459     26.5632      
1 1 1 12 14 29 o 0 3.8    6.2   ?    ?   192.757  -169.368     33.8046    10.6325      157.32      10.6325      
1 1 1 12 14 30 o 0 61.2   8.3   ?    ?   245.752  97.5014      266.159    97.5014      110.462     97.5014      
1 1 1 12 14 31 o 0 25.7   7.9   ?    ?   70.0289  -129.228     134.352    -129.228     91.5609     -129.228     
1 1 1 12 14 32 o 0 8      7.8   ?    ?   107.759  -57.3653     28.4065    -57.3653     36.4697     122.635      
1 1 1 12 14 33 o 0 -3.7   6.3   ?    ?   72.254   -155.583     12.8657    24.4168      54.514      24.4168      
1 1 1 12 14 34 o 0 22.7   6.8   ?    ?   337.382  63.5961      46.835     63.5961      142.346     -116.404     
1 1 1 12 14 35 f 1 6.1    7     ?    ?   63.2895  -34.6165     29.6676    -34.6165     3.17867     145.384      
1 1 1 12 15 0  o 0 5.5    4.3   ?    ?   106.989  180          7.54807    180          57.8365     -1.24731e-13 
1 1 1 12 15 1  o 0 34.7   4.2   ?    ?   341.678  75.0134      45.7076    75.0134      162.622     -104.987     
1 1 1 12 15 2  o 0 143.1  10.7  ?    ?   645.17   59.1088      221.771    59.1088      170.525     -120.891     
1 1 1 12 15 3  f 1 91.2   7.5   ?    ?   444.841  112.135      198.97     112.135      69.9741     -67.8646     
1 1 1 12 15 4  o 0 315.6  22.5  ?    ?   1070.99  79.5588      284.659    79.5588      362.257     -100.441     
1 1 1 12 15 5  o 0 691.6  52.1  ?    ?   1142.77  -90.9383     690.969    -90.9383     3.29753     -90.9383     
1 1 1 12 15 6  o 0 374.5  26.5  ?    ?   902.203  177.656      463.962    177.656      76.757      -2.34433     
1 1 1 12 15 7  o 0 141.6  10.1  ?    ?   404.925  38.4499      339.255    38.4499      97.6071     38.4499      
1 1 1 12 15 8  o 0 484    33.9  ?    ?   836.899  104.43       634.899    104.429      137.702     104.429      
1 1 1 12 15 9  o 0 43.1   5.4   ?    ?   328.67   -174.971     85.4711    -174.971     108.873     5.02884      
1 1 1 12 15 10 o 0 390.3  29.8  ?    ?   836.585  -59.1634     513.51     -59.1634     22.3254     -59.1634     
1 1 1 12 15 11 o 0 108.3  9.4   ?    ?   365.113  147.648      275.055    147.648      61.7849     147.648      
1 1 1 12 15 12 o 0 117.8  10.2  ?    ?   532.742  -111.968     215.917    -111.968     93.6021     68.0323      
1 1 1 12 15 13 o 0 15.1   4     ?    ?   195.391  -100.181     16.1723    79.8187      129.057     79.8187      
1 1 1 12 15 14 o 0 34.2   4.8   ?    ?   339.342  -73.8659     48.2015    -73.8659     148.945     106.134      
1 1 1 12 15 15 o 0 86.9   8.8   ?    ?   287.15   -35.4341     246.724    -35.4341     80.9272     -35.4341     
1 1 1 12 15 16 o 0 123.5  11.6  ?    ?   365.626  -173.373     323.208    -173.373     100.212     -173.373     
1 1 1 12 15 17 o 0 116.9  11.3  ?    ?   426.762  -151.142     276.34     -151.142     15.1653     -151.142     
1 1 1 12 15 18 o 0 121.4  11.1  ?    ?   153.887  132.952      377.314    132.952      283.815     132.952      
1 1 1 12 15 19 o 0 3.1    5.8   ?    ?   81.715   -95.4288     30.1742    84.5712      79.4456     84.5712      
1 1 1 12 15 20 o 0 19.6   5.6   ?    ?   82.0028  -96.4781     30.509     -96.4781     17.5521     83.5219      
1 1 1 12 15 21 o 0 26.8   6.3   ?    ?   149.846  170.387      75.1484    170.387      11.9299     -9.61274     
1 1 1 12 15 22 o 0 51.9   8.3   ?    ?   237.4    81.1833      183.537    81.1833      54.1178     81.1833      
1 1 1 12 15 23 o 0 138.1  15.5  ?    ?   396.889  -62.4501     345.535    -62.4501     131.217     -62.4501     
1 1 1 12 15 24 o 0 15.9   9.1   ?    ?   229.739  51.0414      19.6855    51.0414      98.8069     -128.959     
1 1 1 12 15 25 o 0 55.6   14.3  ?    ?   293.714  -126.397     180.15     -126.397     32.3355     -126.397     
1 1 1 12 15 26 o 0 45     10.3  ?    ?   298.168  -168.648     142.562    -168.648     5.83053     11.3519      
1 1 1 12 15 27 o 0 75.7   9.1   ?    ?   393.866  -6.97017     242.147    -6.97017     9.37834     173.03       
1 1 1 12 15 28 o 0 9.3    6.3   ?    ?   81.6157  148.247      22.3293    148.247      30.1878     -31.7531     
1 1 1 12 15 29 o 0 89.3   9.5   ?    ?   378.572  -33.3105     288.439    -33.3105     47.4486     -33.3105     
1 1 1 12 15 30 o 0 155.7  14    ?    ?   544.414  57.1393      356.056    57.1393      14.1724     57.1393      
1 1 1 12 15 31 o 0 138.2  13    ?    ?   388.407  -133.169     407.77     -133.169     172.532     -133.169     
1 1 1 12 15 32 o 0 16.8   7.5   ?    ?   137.198  -139.414     86.7006    -139.414     7.09396     -139.414     
1 1 1 12 15 33 o 0 7.6    7.9   ?    ?   98.3512  138.764      37.3714    138.764      18.1783     -41.2362     
1 1 1 12 15 34 o 0 -2.3   7.5   ?    ?   196.621  -91.2058     22.2767    88.7942      125.395     88.7942      
1 1 1 12 15 35 o 0 32.3   7.7   ?    ?   313.716  -48.8833     131.936    -48.8833     14.9905     131.117      
1 1 1 12 16 0  o 0 390.2  36.8  ?    ?   850.25   -9.72488e-15 526.405    0            12.251      4.08137e-13  
1 1 1 12 16 1  o 0 353.5  25    ?    ?   1046.54  -9.09664     353.678    -9.09664     277.968     170.903      
1 1 1 12 16 2  f 1 37.1   4.3   ?    ?   138.446  -174.705     82.5191    -174.705     0.628699    5.29469      
1 1 1 12 16 3  o 0 125.8  10    ?    ?   665.92   -7.36324     167.664    -7.36324     232.187     172.637      
1 1 1 12 16 4  o 0 299.8  20.4  ?    ?   765.682  26.0198      433.84     26.0198      24.4594     -153.98      
1 1 1 12 16 5  o 0 545.3  38.4  ?    ?   1192.99  65.4482      501.984    65.4482      209.589     -114.552     
1 1 1 12 16 6  o 0 352.7  23.5  ?    ?   796.658  -145.905     491.636    -145.905     19.2836     -145.905     
1 1 1 12 16 7  f 1 10.3   3.3   ?    ?   112.87   -140.501     23.3843    39.4993      89.8631     39.4993      
1 1 1 12 16 8  o 0 148.6  12.6  ?    ?   486.749  -90.5795     311.753    -90.5795     25.5697     -90.5795     
1 1 1 12 16 9  o 0 180.4  14.7  ?    ?   351.127  162.473      438.994    162.473      233.494     162.473      
1 1 1 12 16 10 o 0 119.2  10.5  ?    ?   351.582  -166.145     306.539    -166.145     101.766     -166.145     
1 1 1 12 16 11 o 0 65.2   6.8   ?    ?   127.896  157.742      175.27     157.742      101.158     157.742      
1 1 1 12 16 12 o 0 83.1   8.9   ?    ?   389.288  -145.095     195.923    -145.095     31.0439     34.9055      
1 1 1 12 16 13 o 0 101    9.4   ?    ?   429.895  -153.913     223.271    -153.913     25.964      26.0868      
1 1 1 12 16 14 o 0 280.2  22.7  ?    ?   727.48   58.2732      427.962    58.2732      17.8104     -121.727     
1 1 1 12 16 15 o 0 19.2   6.3   ?    ?   137.178  3.22062      17.3608    3.22062      66.1741     -176.779     
1 1 1 12 16 16 o 0 164.7  16.6  ?    ?   648.693  34.403       259.141    34.403       137.349     -145.597     
1 1 1 12 16 17 o 0 590.3  45.5  ?    ?   1008.32  107.655      642.974    107.655      30.9329     107.655      
1 1 1 12 16 18 o 0 136.2  11.7  ?    ?   526.87   135.549      273.319    135.549      37.7669     -44.4508     
1 1 1 12 16 19 o 0 42.2   6.6   ?    ?   418.491  -55.6379     58.9147    -55.6379     186.278     124.362      
1 1 1 12 16 20 o 0 30.8   6.4   ?    ?   51.8093  6.34945      57.9415    6.34945      29.4413     6.34945      
1 1 1 12 16 21 o 0 77     10.3  ?    ?   283.665  45.9758      248.524    45.9758      93.8195     45.9758      
1 1 1 12 16 22 o 0 430.4  42.7  ?    ?   773.045  -160.493     609.767    -160.493     206.702     -160.493     
1 1 1 12 16 23 o 0 31     7.5   ?    ?   281.236  -102.954     90.6583    -102.954     54.5762     77.0461      
1 1 1 12 16 24 o 0 29.4   10    ?    ?   305.822  -100.401     72.4642    -100.401     81.707      79.5993      
1 1 1 12 16 25 o 0 97     14.2  ?    ?   353.498  75.5955      273.682    75.5956      97.3685     75.5956      
1 1 1 12 16 26 o 0 109.3  12.3  ?    ?   585.764  134.544      231.243    134.544      143.837     -45.4564     
1 1 1 12 16 27 o 0 30.3   6.8   ?    ?   188.587  -49.6786     157.246    -49.6786     35.5058     -49.6786     
1 1 1 12 16 28 f 1 63.8   8.6   ?    ?   303.75   -149.4       247.27     -149.4       53.6807     -149.4       
1 1 1 12 16 29 o 0 12.6   6.1   ?    ?   249.985  75.1394      7.62539    75.1394      150.041     -104.861     
1 1 1 12 16 30 o 0 59     8.5   ?    ?   312.241  178.36       223.053    178.36       33.0141     178.36       
1 1 1 12 16 31 f 1 28     6.7   ?    ?   279.858  -61.751      107.585    -61.751      55.2746     118.249      
1 1 1 12 16 32 o 0 1.8    6.6   ?    ?   108.062  108.193      4.13094    108.193      57.2783     -71.8073     
1 1 1 12 16 33 o 0 19.5   9.8   ?    ?   170.079  -23.9305     96.7645    -23.9305     6.96104     -23.9305     
1 1 1 12 16 34 f 1 89.2   16.2  ?    ?   329.769  -141.682     301.759    -141.682     146.567     -141.682     
1 1 1 12 17 0  o 0 43.8   7.5   ?    ?   91.7011  2.57999e-13  71.7649    0            17.0449     -8.28268e-13 
1 1 1 12 17 1  o 0 58.9   5.7   ?    ?   375.553  -11.2593     130.248    -11.2593     93.5113     168.741      
1 1 1 12 17 2  o 0 123.7  9.9   ?    ?   640.454  -131.383     177.211    -131.383     203.613     48.6172      
1 1 1 12 17 3  f 1 152.3  12.6  ?    ?   532.102  -69.8579     299.664    -69.8579     15.1443     110.142      
1 1 1 12 17 4  o 0 1140.3 85.4  ?    ?   1254.1   -60.8999     995.893    -60.8999     254.138     -60.8999     
1 1 1 12 17 5  o 0 1792.1 133.8 ?    ?   1642.79  78.0389      1194.28    78.0389      225.757     78.0389      
1 1 1 12 17 6  o 0 142    11    ?    ?   380.491  -15.7768     348.892    -15.7768     125.367     -15.7768     
1 1 1 12 17 7  o 0 19.9   4.1   ?    ?   160.336  -176.949     13.6896    -176.949     80.1377     3.05123      
1 1 1 12 17 8  o 0 62     6.8   ?    ?   330.709  -103.405     156.07     -103.405     36.6517     76.5948      
1 1 1 12 17 9  o 0 245.4  20.9  ?    ?   945.526  -97.5581     232.712    -97.5581     322.169     82.4419      
1 1 1 12 17 10 o 0 28     5.1   ?    ?   246.205  164.324      49.25      164.324      94.5509     -15.6759     
1 1 1 12 17 11 o 0 41.5   5.9   ?    ?   342.631  -47.9588     77.7689    -47.9588     121.347     132.041      
1 1 1 12 17 12 o 0 85.1   8.4   ?    ?   341.065  83.4617      235.088    83.4617      25.4721     83.4617      
1 1 1 12 17 13 o 0 232.7  19.3  ?    ?   722.587  132.857      350.57     132.857      91.035      -47.1431     
1 1 1 12 17 14 o 0 87     11    ?    ?   470.56   77.3796      174.151    77.3796      114.677     -102.62      
1 1 1 12 17 15 o 0 24.9   6.6   ?    ?   164.197  -63.7088     53.7505    -63.7088     46.4029     116.291      
1 1 1 12 17 16 o 0 389.6  28.5  ?    ?   626.94   52.8661      629.671    52.8661      249.79      52.8661      
1 1 1 12 17 17 o 0 386.9  28.5  ?    ?   812.56   -40.8474     526.582    -40.8474     47.5008     -40.8474     
1 1 1 12 17 18 o 0 347    26.1  ?    ?   674.559  -116.228     546.516    -116.228     151.729     -116.228     
1 1 1 12 17 19 o 0 15.2   6.4   ?    ?   264.976  148.791      3.21615    -31.2094     148.869     -31.2094     
1 1 1 12 17 20 o 0 3.3    7     ?    ?   186.3    -121.466     46.4454    58.5336      148.01      58.5336      
1 1 1 12 17 21 o 0 175.7  17.2  ?    ?   527.571  -2.72363     370.272    -2.72363     95.1972     -2.72363     
1 1 1 12 17 22 o 0 53.8   8.6   ?    ?   183.083  -5.59812     206.642    -5.59812     112.057     -5.59812     
1 1 1 12 17 23 o 0 16.6   8.1   ?    ?   331.739  148.012      4.39227    -31.9876     171.769     -31.9876     
1 1 1 12 17 24 o 0 29.7   9.2   ?    ?   90.6859  48.3735      97.8803    48.3735      52.5906     48.3735      
1 1 1 12 17 25 o 0 45.4   8.1   ?    ?   237.942  69.6568      206.775    69.6568      54.1455     69.6568      
1 1 1 12 17 26 o 0 79.1   10.4  ?    ?   296.056  -152.421     305.792    -152.421     114.245     -152.421     
1 1 1 12 17 27 o 0 205.3  16.1  ?    ?   423.383  110.16       546.037    110.16       274.754     110.16       
1 1 1 12 17 28 o 0 1.5    5.8   ?    ?   61.2073  -44.9807     7.9062     135.019      46.6381     135.019      
1 1 1 12 17 29 o 0 56.4   8.5   ?    ?   208.766  69.8074      267.017    69.8074      139.464     69.8074      
1 1 1 12 17 30 o 0 46.6   7.8   ?    ?   184.372  -51.1131     239.326    -51.1131     131.278     -51.1131     
1 1 1 12 17 31 o 0 30.3   7.4   ?    ?   201.529  32.6893      157.643    32.6893      42.5394     32.6893      
1 1 1 12 17 32 o 0 22.4   7     ?    ?   122.245  42.2209      142.232    42.2209      77.32       42.2209      
1 1 1 12 17 33 o 0 45     8.1   ?    ?   277.437  16.4648      206.494    16.4648      74.7709     16.4648      
1 1 1 12 18 0  o 0 26.9   6.4   ?    ?   141.256  -180         63.8236    180          19.4822     3.91374e-13  
1 1 1 12 18 1  o 0 54     5.6   ?    ?   409.502  -161.829     96.1997    -161.829     145.024     18.1715      
1 1 1 12 18 2  o 0 38.4   5.3   ?    ?   243.232  91.5342      93.101     91.5342      49.9405     -88.4658     
1 1 1 12 18 3  o 0 33.8   5.3   ?    ?   256.798  60.5079      69.4276    60.5079      81.2702     -119.492     
1 1 1 12 18 4  o 0 1068.9 80.3  ?    ?   1456.77  48.079       814.579    48.079       38.1131     -131.921     
1 1 1 12 18 5  o 0 96.6   8.8   ?    ?   385.287  -112.372     237.538    -112.372     10.0909     -112.372     
1 1 1 12 18 6  o 0 8.8    3.7   ?    ?   274.366  179.834      80.984     -0.166141    242.413     -0.166141    
1 1 1 12 18 7  f 1 105.2  8.8   ?    ?   381.459  79.0453      260.256    79.0453      37.2152     79.0453      
1 1 1 12 18 8  o 0 1003.9 75.4  ?    ?   1271.39  148.731      848.284    148.731      105.964     148.731      
1 1 1 12 18 9  o 0 14.3   4.7   ?    ?   170.104  48.9049      11.5843    -131.095     116.724     -131.095     
1 1 1 12 18 10 f 1 70.1   7.4   ?    ?   396.402  -40.4682     163.346    -40.4682     79.9021     139.532      
1 1 1 12 18 11 o 0 18.4   6.1   ?    ?   71.2815  -65.379      14.1577    -65.379      29.9299     114.621      
1 1 1 12 18 12 o 0 103.6  11.3  ?    ?   270.456  -37.6078     317.064    -37.6078     150.668     -37.6078     
1 1 1 12 18 13 o 0 252.1  20.9  ?    ?   677.171  -157.715     404.043    -157.715     10.25       22.2852      
1 1 1 12 18 14 o 0 49.8   6     ?    ?   199.24   -78.8603     163.725    -78.8603     42.5537     -78.8603     
1 1 1 12 18 15 o 0 12.9   4.7   ?    ?   145.622  -52.3933     1.65518    127.607      87.8908     127.607      
1 1 1 12 18 16 f 1 35.5   5.5   ?    ?   404.621  -86.7475     38.5606    -86.7475     198.846     93.2525      
1 1 1 12 18 17 o 0 70.2   8.8   ?    ?   383.315  -81.761      188.776    -81.761      23.1656     98.239       
1 1 1 12 18 18 o 0 89.5   10.6  ?    ?   182.808  165.703      314.485    165.703      214.159     165.703      
1 1 1 12 18 19 o 0 67.1   8.6   ?    ?   398.514  110.034      168.747    110.034      48.2414     -69.9662     
1 1 1 12 18 20 o 0 19.1   8.1   ?    ?   212.422  40.7903      43.1543    40.7903      67.5076     -139.21      
1 1 1 12 18 21 o 0 75     11.1  ?    ?   310.316  29.6741      234.435    29.6741      74.1914     29.6741      
1 1 1 12 18 22 o 0 183.6  17.7  ?    ?   635.704  -88.3532     330.527    -88.3532     9.8005      -88.3532     
1 1 1 12 18 23 o 0 4.8    7.7   ?    ?   75.1664  138.54       1.27897    -41.4602     40.5667     -41.4602     
1 1 1 12 18 24 o 0 -6.7   10.1  ?    ?   48.6572  112.619      9.79125    -67.381      41.0291     -67.381      
1 1 1 12 18 25 o 0 5.1    6.6   ?    ?   83.2138  -135.822     2.31214    -135.822     51.5981     44.1779      
1 1 1 12 18 26 o 0 204.6  19.1  ?    ?   433.989  43.5738      533.596    43.5738      255.013     43.5738      
1 1 1 12 18 27 o 0 11     6     ?    ?   159.321  57.1508      31.6785    57.1508      69.3742     -122.849     
1 1 1 12 18 28 o 0 33.7   6.3   ?    ?   129.94   -12.0873     198.363    -12.0873     118.743     -12.0873     
1 1 1 12 18 29 o 0 -1     5.9   ?    ?   118.072  111.086      19.3297    -68.9137     88.76       -68.9137     
1 1 1 12 18 30 o 0 91.8   12.5  ?    ?   324.31   14.0676      320.513    14.0676      134.547     14.0676      
1 1 1 12 18 31 o 0 38.5   7     ?    ?   334.861  -95.0155     143.178    -95.0155     35.4437     84.9845      
1 1 1 12 18 32 o 0 -2.8   6.6   ?    ?   74.3376  -67.1761     12.1025    -67.1761     23.3743     112.824      
1 1 1 12 19 0  f 1 485.9  45.6  ?    ?   637.574  180          565.717    180          191.025     -180         
1 1 1 12 19 1  o 0 9.2    4.4   ?    ?   256.963  -16.4062     71.6389    163.594      222.918     163.594      
1 1 1 12 19 2  o 0 21.8   5.2   ?    ?   245.372  -33.5183     16.6955    -33.5183     127.568     146.482      
1 1 1 12 19 3  f 1 13.8   5.1   ?    ?   128.41   137.695      9.50752    -42.305      84.6729     -42.305      
1 1 1 12 19 4  o 0 750.8  56.8  ?    ?   1064.19  -80.7098     804.009    -80.7098     141.51      -80.7098     
1 1 1 12 19 5  o 0 500.6  35.4  ?    ?   833.22   -93.0239     674.824    -93.0238     157.509     -93.0238     
1 1 1 12 19 6  f 1 161.6  12.5  ?    ?   432.841  126.836      381.936    126.836      114.723     126.836      
1 1 1 12 19 7  o 0 41     5.3   ?    ?   159.752  74.091       119.542    74.091       21.0086     74.091       
1 1 1 12 19 8  o 0 391.6  30.2  ?    ?   924.089  43.094       471.356    43.094       102.291     -136.906     
1 1 1 12 19 9  o 0 885.7  62.4  ?    ?   955.127  44.0028      974.272    44.0028      383.839     44.0028      
1 1 1 12 19 10 o 0 60.3   8.4   ?    ?   271.966  -16.2726     186.069    -16.2726     18.7085     -16.2726     
1 1 1 12 19 11 o 0 16.4   5.3   ?    ?   89.3218  45.1444      10.817     45.1444      43.8813     -134.856     
1 1 1 12 19 12 o 0 179    14.6  ?    ?   489.998  -33.1567     386.289    -33.1567     93.7992     -33.1567     
1 1 1 12 19 13 o 0 514    36.8  ?    ?   774.518  -115.956     706.682    -115.956     246.93      -115.956     
1 1 1 12 19 14 o 0 30.7   7.4   ?    ?   179.215  146.779      95.3034    146.779      10.4479     -33.2206     
1 1 1 12 19 15 o 0 28.1   6.5   ?    ?   210.069  160.193      92.1178    160.193      24.4801     -19.8071     
1 1 1 12 19 16 o 0 71.1   7.5   ?    ?   384.185  -101.629     191.117    -101.629     20.6989     78.3709      
1 1 1 12 19 17 o 0 69.7   7.6   ?    ?   298.793  118.55       222.293    118.55       58.7233     118.55       
1 1 1 12 19 18 o 0 151.2  12.3  ?    ?   536.032  40.3731      322.064    40.3731      41.0781     40.3731      
1 1 1 12 19 19 o 0 25.7   5.2   ?    ?   296.874  1.10178      61.2335    1.10178      93.1532     -178.898     
1 1 1 12 19 20 f 1 22.4   5.4   ?    ?   263.893  84.3291      62.028     84.3291      71.826      -95.6709     
1 1 1 12 19 21 o 0 41.9   9.8   ?    ?   235.755  19.9631      154.938    19.9631      36.1075     19.9631      
1 1 1 12 19 22 o 0 65.1   11.2  ?    ?   235.319  -101.461     233.164    -101.461     110.233     -101.461     
1 1 1 12 19 23 o 0 6.1    9.1   ?    ?   131.908  -150.301     1.90319    -150.301     82.7741     29.6994      
1 1 1 12 19 24 o 0 13.7   8.1   ?    ?   170.447  -157.284     46.435     -157.284     64.0302     22.7158      
1 1 1 12 19 25 o 0 37     9.1   ?    ?   266.043  -143.566     152.267    -143.566     18.6539     36.4336      
1 1 1 12 19 26 o 0 19.6   6.8   ?    ?   324.912  -42.9506     18.2303    -42.9506     188.128     137.049      
1 1 1 12 19 27 o 0 81.5   9.2   ?    ?   397.199  -42.8128     254.846    -42.8128     11.0179     -42.8128     
1 1 1 12 19 28 o 0 5.5    6.3   ?    ?   101.208  106.695      14.9674    106.695      44.688      -73.3047     
1 1 1 12 19 29 o 0 19.5   6     ?    ?   104.648  -63.2532     125.885    -63.2532     65.7024     -63.2532     
1 1 1 12 19 30 o 0 2      5.7   ?    ?   126.43   -141.992     4.41547    -141.992     63.26       38.0081      
1 1 1 12 19 31 f 1 0.5    6     ?    ?   124.409  128.118      14.1039    128.118      45.3571     -51.8818     
1 1 1 12 20 0  o 0 447.4  48.8  ?    ?   954.048  -1.49234e-14 567.687    0            28.2939     180          
1 1 1 12 20 1  o 0 220    19.9  ?    ?   475.733  -168.014     471.679    -168.014     174.638     -168.014     
1 1 1 12 20 2  o 0 3.9    5.1   ?    ?   138.266  -113.297     53.609     66.7031      139.853     66.7031      
1 1 1 12 20 3  o 0 135.6  12.1  ?    ?   508.591  -130.379     281.428    -130.379     35.3234     49.6214      
1 1 1 12 20 4  o 0 780.1  58.9  ?    ?   1371.72  -114.591     627.569    -114.591     225.034     65.4086      
1 1 1 12 20 5  f 1 31     5.3   ?    ?   171.911  -41.5497     85.7114    -41.5497     20.6054     138.45       
1 1 1 12 20 6  o 0 55.8   7.1   ?    ?   293.629  -0.0967426   162.813    -0.0967426   18.7249     179.903      
1 1 1 12 20 7  o 0 42.9   6.7   ?    ?   235.093  -43.0142     131.041    -43.0142     13.8301     136.986      
1 1 1 12 20 8  o 0 236.1  19.8  ?    ?   490.921  -29.6855     483.823    -29.6855     182.412     -29.6855     
1 1 1 12 20 9  o 0 404.7  29.5  ?    ?   730.703  -123.953     606.12     -123.953     168.297     -123.953     
1 1 1 12 20 10 o 0 23     5.5   ?    ?   294.912  115.686      25.8447    115.686      150.08      -64.3138     
1 1 1 12 20 11 o 0 10.1   5.4   ?    ?   61.7915  -16.4992     5.65       163.501      42.3343     163.501      
1 1 1 12 20 12 o 0 145.4  13.9  ?    ?   668.872  155.426      214.17     155.426      180.878     -24.5743     
1 1 1 12 20 13 o 0 72.6   9.3   ?    ?   358.553  43.7287      208.356    43.7287      9.00797     43.7287      
1 1 1 12 20 14 o 0 20.8   5.2   ?    ?   115.226  -177.974     54.2501    -177.974     9.43475     2.02571      
1 1 1 12 20 15 o 0 21.5   4.9   ?    ?   146.921  -134.105     61.3535    -134.105     19.3373     45.8955      
1 1 1 12 20 16 f 1 42.2   6.4   ?    ?   347.454  175.202      115.872    175.202      66.5287     -4.79826     
1 1 1 12 20 17 o 0 36.5   5.7   ?    ?   389.708  -130.12      73.1416    -130.12      130.51      49.8801      
1 1 1 12 20 18 o 0 85.3   8.5   ?    ?   333.107  -55.0743     263.653    -55.0743     93.2876     -55.0743     
1 1 1 12 20 19 o 0 47.7   6.4   ?    ?   276.513  -133.797     167.551    -133.797     27.2583     -133.797     
1 1 1 12 20 20 o 0 4.9    4.6   ?    ?   92.3246  -86.2727     12.2622    93.7273      60.854      93.7273      
1 1 1 12 20 21 o 0 48.5   7.1   ?    ?   282.097  -153.545     202.491    -153.545     19.8754     -153.545     
1 1 1 12 20 22 o 0 59.8   7.5   ?    ?   391.607  60.3299      186.239    60.3299      69.9403     -119.67      
1 1 1 12 20 23 o 0 85.2   11.1  ?    ?   376.439  -127.192     278.978    -127.192     35.1575     -127.192     
1 1 1 12 20 24 o 0 4.5    6.1   ?    ?   101.995  93.5315      1.17916    -86.4685     66.6975     -86.4685     
1 1 1 12 20 25 o 0 51     9.2   ?    ?   269.775  177.092      216.596    177.092      48.9239     177.092      
1 1 1 12 20 27 o 0 -0.1   7.1   ?    ?   83.8523  -75.0309     2.07644    104.969      51.5683     104.969      
1 1 1 12 20 28 o 0 13.6   7.8   ?    ?   128.38   37.6591      72.7609    37.6591      1.20843     -142.341     
1 1 1 12 20 29 o 0 3.8    5.9   ?    ?   132.735  13.5683      13.4885    13.5683      57.7337     -166.432     
1 1 1 12 20 30 o 0 60.5   8.5   ?    ?   365.28   -172.016     229.302    -172.016     53.7466     -172.016     
1 1 1 12 21 0  o 0 392.8  43.5  ?    ?   1139.17  180          524.473    180          177.411     -6.68356e-14 
1 1 1 12 21 1  o 0 104.2  11    ?    ?   405.971  162.845      256.304    162.845      6.21042     162.845      
1 1 1 12 21 2  f 1 22.3   6     ?    ?   209.863  77.9078      48.8841    77.9078      77.382      -102.092     
1 1 1 12 21 3  o 0 51.9   7.5   ?    ?   175.841  122.662      189.99     122.662      84.0528     122.662      
1 1 1 12 21 4  o 0 447.4  34.6  ?    ?   941.931  -158.757     537.974    -158.757     28.5214     21.2434      
1 1 1 12 21 5  o 0 34.2   6.5   ?    ?   349.53   -173.046     59.4409    -173.046     150.31      6.95366      
1 1 1 12 21 6  o 0 63.3   6.7   ?    ?   363.727  7.0494       165.893    7.0494       51.7986     -172.951     
1 1 1 12 21 7  o 0 79     7.6   ?    ?   176.7    -127.94      280.452    -127.94      175.022     -127.94      
1 1 1 12 21 8  o 0 138.6  12.2  ?    ?   381.38   -122.157     356.808    -122.157     130.05      -122.157     
1 1 1 12 21 9  o 0 27.7   6     ?    ?   347.302  -113.493     28.2754    -113.493     177.414     66.507       
1 1 1 12 21 10 o 0 140.5  12.3  ?    ?   518.941  95.766       304.573    95.766       14.8976     95.766       
1 1 1 12 21 11 o 0 16     5.9   ?    ?   107.655  106.731      25.8433    106.731      33.9685     -73.269      
1 1 1 12 21 12 o 0 326.9  25.8  ?    ?   826.097  64.1474      456.751    64.1474      0.118237    64.1474      
1 1 1 12 21 13 o 0 86.5   8.9   ?    ?   293.5    34.7927      274.224    34.7927      112.879     34.7927      
1 1 1 12 21 14 o 0 292.2  20.7  ?    ?   888.377  -134.67      388.419    -134.67      79.9726     45.3298      
1 1 1 12 21 15 o 0 7.8    4.7   ?    ?   62.6654  119.59       4.71102    -60.4103     37.5432     -60.4103     
1 1 1 12 21 16 o 0 31.8   5.5   ?    ?   313.434  176.642      90.7005    176.642      70.1528     -3.35797     
1 1 1 12 21 17 o 0 23.8   5.1   ?    ?   34.3748  37.2365      36.0453    37.2365      18.5301     37.2365      
1 1 1 12 21 18 o 0 10.8   4.4   ?    ?   222.011  74.8394      4.11355    -105.161     116.38      -105.161     
1 1 1 12 21 19 o 0 5      4.9   ?    ?   144.52   -101.208     26.7026    78.7918      120.825     78.7918      
1 1 1 12 21 20 o 0 11.9   4.8   ?    ?   168.278  -16.3107     35.881     -16.3107     74.9711     163.689      
1 1 1 12 21 21 o 0 4.3    3.7   ?    ?   96.8308  -35.1132     15.9132    144.887      79.1281     144.887      
1 1 1 12 21 23 o 0 23.9   5.2   ?    ?   171.071  89.9322      130.653    89.9322      20.8874     89.9322      
1 1 1 12 21 24 o 0 -7     4.6   ?    ?   94.874   98.2111      39.0804    -81.7889     98.0075     -81.7889     
1 1 1 12 21 25 o 0 57.2   8.1   ?    ?   288.129  157.5        236.616    157.5        64.5117     157.5        
1 1 1 12 21 26 o 0 78.9   9     ?    ?   325.781  -174.112     289.026    -174.112     96.6819     -174.112     
1 1 1 12 21 27 o 0 10.2   5.6   ?    ?   84.803   30.1592      49.7139    30.1592      0.812135    30.1592      
1 1 1 12 21 28 o 0 -5.9   8.8   ?    ?   118.39   8.14911      0.337974   8.14911      63.273      -171.851     
1 1 1 12 21 29 o 0 7.9    8.9   ?    ?   115.328  139.114      62.2398    139.114      6.70741     139.114      
1 1 1 12 22 0  o 0 268.1  37.3  ?    ?   673.424  -4.88444e-14 424.768    0            24.0461     8.13981e-13  
1 1 1 12 22 1  f 1 164.5  15.3  ?    ?   542.116  50.5242      327.421    50.5242      5.61789     50.5242      
1 1 1 12 22 2  o 0 69.9   10.8  ?    ?   129.707  -76.4679     241.037    -76.4679     163.876     -76.4679     
1 1 1 12 22 3  o 0 196.9  19.6  ?    ?   603.446  98.2419      353.834    98.2419      4.79959     -81.7581     
1 1 1 12 22 4  o 0 928    64.9  ?    ?   1163.65  81.9239      909.848    81.9239      256.187     81.9239      
1 1 1 12 22 5  o 0 101    9.7   ?    ?   626.24   -11.7931     155.79     -11.7931     195.299     168.207      
1 1 1 12 22 6  o 0 22     5.1   ?    ?   292.005  -174.682     35.4975    -174.682     127.811     5.3183       
1 1 1 12 22 7  o 0 21     5.3   ?    ?   240.525  76.1212      46.5683    76.1212      87.5604     -103.879     
1 1 1 12 22 8  o 0 84     10.5  ?    ?   548.353  127.781      148.086    127.781      156.684     -52.2188     
1 1 1 12 22 9  o 0 90     9.3   ?    ?   310.416  -69.1097     278.847    -69.1097     106.969     -69.1097     
1 1 1 12 22 10 o 0 22.5   5.2   ?    ?   224.87   -47.4032     68.5025    -47.4032     51.1209     132.597      
1 1 1 12 22 11 o 0 13.9   6     ?    ?   148.426  60.4903      21.8149    60.4903      56.7801     -119.51      
1 1 1 12 22 12 o 0 128.2  11.5  ?    ?   401.132  -72.6581     337.891    -72.6581     126.547     -72.6581     
1 1 1 12 22 13 o 0 64.5   7.5   ?    ?   637.466  0.539868     55.5981    0.539868     278.44      -179.46      
1 1 1 12 22 14 o 0 43     5.9   ?    ?   421.706  -24.4201     90.5799    -24.4201     126.06      155.58       
1 1 1 12 22 15 o 0 5.7    4.4   ?    ?   23.2947  18.2867      2.82022    -161.713     14.7122     -161.713     
1 1 1 12 22 16 o 0 24.1   6.8   ?    ?   248.918  13.4362      75.0614    13.4362      56.9886     -166.564     
1 1 1 12 22 17 o 0 145.6  15.1  ?    ?   514.15   122.504      377.428    122.504      41.3518     122.504      
1 1 1 12 22 18 o 0 11.5   9.3   ?    ?   213.28   -177.104     10.5327    -177.104     127.821     2.89634      
1 1 1 12 22 19 o 0 5.6    9.2   ?    ?   127.066  29.881       12.0852    29.881       71.3232     -150.119     
1 1 1 12 22 20 o 0 134.7  15.9  ?    ?   445.743  -171.456     375.883    -171.456     85.1443     -171.456     
1 1 1 12 22 21 o 0 6.3    10.5  ?    ?   100.893  172.148      26.8826    172.148      38.3324     -7.85204     
1 1 1 12 22 22 o 0 138.8  20.8  ?    ?   446.673  -9.20503     368.373    -9.20503     88.6122     -9.20503     
1 1 1 12 22 23 o 0 49.1   7.8   ?    ?   329.371  68.3969      178.34     68.3969      25.8852     -111.603     
1 1 1 12 22 24 o 0 5.6    3.6   ?    ?   34.139   -69.4435     5.3257     -69.4435     15.0409     110.557      
1 1 1 12 22 25 o 0 10.9   4.2   ?    ?   285.782  -4.94891     5.49364    175.051      172.189     175.051      
1 1 1 12 22 26 f 1 111    10.3  ?    ?   203.54   53.8367      451.626    53.8367      341.169     53.8367      
1 1 1 12 22 27 o 0 -4.8   5.7   ?    ?   72.9778  31.8266      9.35765    -148.173     48.5797     -148.173     
1 1 1 12 22 28 o 0 9.7    5.5   ?    ?   98.8488  -142.523     71.0445    -142.523     23.4086     -142.523     
1 1 1 12 23 0  o 0 218.4  47.7  ?    ?   316.219  5.88663e-14  365.521    0            190.096     -5.43231e-14 
1 1 1 12 23 1  o 0 94.1   11.5  ?    ?   462.019  -45.2498     218.707    -45.2498     37.7113     134.75       
1 1 1 12 23 2  o 0 18     6     ?    ?   308.742  -12.2315     0.191833   -12.2315     171.133     167.769      
1 1 1 12 23 3  o 0 42.8   6.3   ?    ?   384.763  -102.249     93.0057    -102.249     120.355     77.7511      
1 1 1 12 23 4  o 0 85.5   8.8   ?    ?   414.032  -7.8817      219.374    -7.8817      9.93541     172.118      
1 1 1 12 23 5  o 0 376.4  30.1  ?    ?   779.934  -1.92335     562.501    -1.92335     146.478     -1.92335     
1 1 1 12 23 6  o 0 5.5    5.8   ?    ?   202.932  168.419      40.5396    -11.581      148.544     -11.581      
1 1 1 12 23 7  o 0 29.4   5.5   ?    ?   194.633  10.5957      110.747    10.5957      7.43854     10.5957      
1 1 1 12 23 8  o 0 86.5   10.4  ?    ?   401.043  15.5161      235.366    15.5161      23.1721     15.5161      
1 1 1 12 23 9  o 0 72.9   9.7   ?    ?   155.985  91.7095      275.048    91.7095      192.813     91.7095      
1 1 1 12 23 10 o 0 2.1    5.4   ?    ?   10.5467  -6.73976     2.74496    173.26       8.28259     173.26       
1 1 1 12 23 11 o 0 1.5    6     ?    ?   116.301  -57.7872     26.312     122.213      86.2593     122.213      
1 1 1 12 23 12 o 0 33.5   6.3   ?    ?   311.748  -111.629     98.3174    -111.629     61.5821     68.3713      
1 1 1 12 23 13 o 0 286    22.2  ?    ?   725.245  -122.448     456.05     -122.448     86.0576     -122.448     
1 1 1 12 23 14 o 0 13.7   5.2   ?    ?   327.383  44.6837      21.4818    -135.316     195.2       -135.316     
1 1 1 12 23 15 o 0 5.9    7.6   ?    ?   26.9086  -118.02      1.20831    -118.02      16.4009     61.9804      
1 1 1 12 23 16 o 0 61.9   14.1  ?    ?   270.263  -27.5492     256.676    -27.5492     77.46       -27.5492     
1 1 1 12 23 17 o 0 25.7   9     ?    ?   223.843  130.03       108.064    130.03       39.3103     -49.9702     
1 1 1 12 23 18 o 0 105.2  14.5  ?    ?   348.403  76.8886      356.017    76.8886      127.877     76.8886      
1 1 1 12 23 19 o 0 11.2   8.7   ?    ?   108.142  3.10637      44.7326    3.10637      25.5091     -176.894     
1 1 1 12 23 20 o 0 5.6    10.8  ?    ?   43.4585  53.3129      20.8093    53.3129      6.56861     -126.687     
1 1 1 12 23 21 o 0 5      8.3   ?    ?   151.56   -148.87      9.24547    -148.87      85.3704     31.1295      
1 1 1 12 23 22 o 0 12.8   9.3   ?    ?   192.463  -56.341      44.2555    -56.341      71.464      123.659      
1 1 1 12 23 23 o 0 1      7.9   ?    ?   96.6896  18.3707      4.09899    18.3708      53.4511     -161.629     
1 1 1 12 23 24 o 0 -20.7  7.8   ?    ?   16.4187  -23.9174     4.7286     156.083      14.2881     156.083      
1 1 1 12 23 25 o 0 56.7   7.8   ?    ?   318.992  -23.9606     227.778    -23.9606     54.45       -23.9606     
1 1 1 12 23 26 o 0 28     4.6   ?    ?   306.887  -26.466      128.805    -26.466      20.8764     153.534      
1 1 1 12 24 1  o 0 43.4   7.2   ?    ?   115.116  122.302      162.523    122.302      101.845     122.302      
1 1 1 12 24 2  o 0 42.7   7.6   ?    ?   252.483  45.2415      152.849    45.2415      19.7475     45.2415      
1 1 1 12 24 3  o 0 12.6   7.4   ?    ?   130.215  145.363      14.2436    145.363      54.3717     -34.6375     
1 1 1 12 24 4  o 0 95     11.1  ?    ?   436.168  79.353       239.649    79.353       10.0421     79.353       
1 1 1 12 24 5  o 0 122.9  11.7  ?    ?   424.732  -106.762     319.228    -106.762     99.0763     -106.762     
1 1 1 12 24 6  o 0 76.6   8.2   ?    ?   278.024  -107.009     264.446    -107.009     120.629     -107.009     
1 1 1 12 24 7  o 0 4.9    5.6   ?    ?   66.7328  6.65361      8.52582    -173.346     42.959      -173.346     
1 1 1 12 24 8  f 1 63.6   8.6   ?    ?   241.877  -146.191     235.785    -146.191     111.673     -146.191     
1 1 1 12 24 9  o 0 22.2   6.5   ?    ?   194.043  -173.469     78.6183    -173.469     20.8598     6.53144      
1 1 1 12 24 10 o 0 9.5    5.6   ?    ?   206.638  -164.996     6.5049     15.004       116.897     15.004       
1 1 1 12 24 11 o 0 4.9    5.6   ?    ?   101.873  121.447      10.898     -58.5527     65.083      -58.5527     
1 1 1 12 24 12 o 0 7.9    4.9   ?    ?   121.571  175.494      1.11458    -4.5062      80.9736     -4.5062      
1 1 1 12 24 13 o 0 35.7   6     ?    ?   234.567  105.716      166.539    105.716      13.2688     105.716      
1 1 1 12 24 14 f 1 47.4   8.7   ?    ?   240.768  -138.406     221.174    -138.406     62.0173     -138.406     
1 1 1 12 24 15 o 0 7.1    9     ?    ?   45.7031  80.2085      13.7571    80.2085      16.3445     -99.7915     
1 1 1 12 24 16 o 0 7      8.8   ?    ?   96.5344  46.7045      23.4679    46.7045      39.8285     -133.296     
1 1 1 12 24 17 o 0 134.7  16.1  ?    ?   538.059  -64.8854     316.161    -64.8854     34.1245     115.115      
1 1 1 12 24 18 o 0 69.9   12.1  ?    ?   299.172  -92.884      272.22     -92.884      83.1359     -92.884      
1 1 1 12 24 19 o 0 -16.6  9     ?    ?   31.7333  132.931      8.20691    -47.069      28.1011     -47.069      
1 1 1 12 24 20 o 0 35.3   9.2   ?    ?   164.844  -15.9696     196.347    -15.9696     96.717      -15.9696     
1 1 1 12 24 21 f 1 9.6    8.9   ?    ?   164.719  -72.085      35.3358    -72.085      63.0626     107.915      
1 1 1 12 24 22 o 0 36.8   8.6   ?    ?   167.265  132.549      206.46     132.549      108.366     132.549      
1 1 1 12 24 23 o 0 8.1    8.2   ?    ?   201.808  -65.5528     25.0061    -65.5528     85.5588     114.447      
1 1 1 12 24 24 o 0 3.3    7.6   ?    ?   53.5356  96.9891      20.5802    96.9891      8.4386      -83.0109     
1 1 1 12 24 25 o 0 23.2   7.8   ?    ?   177.673  119.836      138.062    119.836      51.5693     119.836      
1 1 1 12 25 0  o 0 -17.4  9.5   ?    ?   103.682  180          4.39232    180          48.5705     2.67978e-16  
1 1 1 12 25 1  o 0 115.1  14    ?    ?   619.774  99.6267      201.529    99.6267      115.372     -80.3733     
1 1 1 12 25 2  o 0 31.1   5.7   ?    ?   187.78   154.993      125.847    154.993      29.7959     154.993      
1 1 1 12 25 3  o 0 46     6.7   ?    ?   417.583  106.427      102.599    106.427      110.957     -73.5731     
1 1 1 12 25 4  o 0 72.1   8.2   ?    ?   401.54   -2.33766     189.69     -2.33766     24.9806     177.662      
1 1 1 12 25 5  o 0 106.1  11.9  ?    ?   353.833  48.8683      300.803    48.8683      111.882     48.8683      
1 1 1 12 25 6  o 0 15     5.5   ?    ?   266.86   -124.139     12.2707    -124.139     129.954     55.8605      
1 1 1 12 25 7  o 0 -1.9   4.6   ?    ?   33.4217  -116.072     13.9234    63.9277      35.9774     63.9277      
1 1 1 12 25 8  o 0 73.3   9.7   ?    ?   369.962  -81.6537     253.954    -81.6537     10.5162     -81.6537     
1 1 1 12 25 9  o 0 197.6  24.8  ?    ?   462.413  51.2059      517.447    51.2059      214.183     51.2059      
1 1 1 12 25 10 o 0 -1.3   5.2   ?    ?   61.2606  112.784      19.3332    -67.2161     60.1628     -67.2161     
1 1 1 12 25 11 o 0 11.2   5.7   ?    ?   190.017  3.82823      21.0923    3.82823      105.012     -176.172     
1 1 1 12 25 12 o 0 4.4    4.5   ?    ?   93.3922  45.2532      11.4536    -134.747     73.1393     -134.747     
1 1 1 12 25 13 f 1 134.1  12.6  ?    ?   418.61   144.377      400.767    144.377      125.818     144.377      
1 1 1 12 25 14 o 0 53.1   9.1   ?    ?   321.242  -37.5382     198.406    -37.5382     11.9327     142.462      
1 1 1 12 25 15 o 0 -15.7  8.9   ?    ?   20.7911  -6.59678     6.32345    173.403      19.8531     173.403      
1 1 1 12 25 16 o 0 5.8    8.6   ?    ?   142.428  -102.972     17.183     -102.972     72.886      77.028       
1 1 1 12 25 17 o 0 0.3    8.7   ?    ?   62.1861  -178.198     4.86531    -178.198     34.1808     1.80168      
1 1 1 12 25 18 o 0 41.9   8.5   ?    ?   227.677  129.179      204.461    129.179      66.5043     129.179      
1 1 1 12 25 19 o 0 19.6   9.1   ?    ?   170.051  -76.8864     95.1465    -76.8864     7.06001     103.114      
1 1 1 12 25 20 o 0 6      9.2   ?    ?   92.5542  12.0566      36.7219    12.0566      17.8047     -167.943     
1 1 1 12 25 21 o 0 11.5   9.8   ?    ?   59.122   134.682      62.2565    134.682      29.6842     134.682      
1 1 1 12 25 22 o 0 109.6  14.7  ?    ?   449.302  -179.533     310.399    -179.533     65.2407     -179.533     
1 1 1 12 25 23 o 0 10.6   8.4   ?    ?   133.424  23.8102      72.5899    23.8102      7.13849     23.8102      
1 1 1 12 26 0  o 0 115    18.6  ?    ?   545.908  -5.37272e-14 320.695    0            35.0877     180          
1 1 1 12 26 1  o 0 116.6  15.1  ?    ?   454.378  160.731      332.738    160.731      36.2445     160.731      
1 1 1 12 26 2  o 0 0.3    5.9   ?    ?   29.1498  44.2194      5.89669    -135.781     25.3126     -135.781     
1 1 1 12 26 3  o 0 1.9    5.1   ?    ?   182.387  123.464      50.9109    -56.5355     172.399     -56.5355     
1 1 1 12 26 4  o 0 189.7  15.8  ?    ?   550.356  -38.2819     454.191    -38.2819     87.794      -38.2819     
1 1 1 12 26 5  o 0 81.8   8.7   ?    ?   347.176  -15.9587     296.143    -15.9587     65.2622     -15.9587     
1 1 1 12 26 6  o 0 2.5    4.9   ?    ?   50.3364  86.6656      9.09657    -93.3344     42.5174     -93.3344     
1 1 1 12 26 7  o 0 4.4    5.2   ?    ?   41.0582  23.9411      2.0704     -156.059     29.2725     -156.059     
1 1 1 12 26 8  o 0 10.4   5.1   ?    ?   83.6261  -104.115     29.6166    -104.115     25.6407     75.8851      
1 1 1 12 26 9  o 0 88.1   12.5  ?    ?   319.587  -178.186     325.483    -178.186     114.515     -178.186     
1 1 1 12 26 10 o 0 17.7   5.4   ?    ?   126.621  54.8977      100.21     54.8977      16.9296     54.8977      
1 1 1 12 26 11 o 0 7.4    4.7   ?    ?   127.758  163.541      8.53454    163.541      75.1446     -16.4594     
1 1 1 12 26 12 o 0 44.8   7.6   ?    ?   224.975  33.7786      216.089    33.7786      69.4175     33.7786      
1 1 1 12 26 13 o 0 73.7   10.4  ?    ?   317.38   -73.9554     280.737    -73.9554     79.3567     -73.9554     
1 1 1 12 26 14 o 0 77.3   9.4   ?    ?   371.956  114.116      262.266    114.116      27.5794     114.116      
1 1 1 12 26 15 o 0 3.5    7     ?    ?   87.8731  -107.195     9.72835    -107.195     43.8569     72.8048      
1 1 1 12 26 16 f 1 -2.5   7     ?    ?   60.4871  98.6909      5.51283    -81.3091     42.0611     -81.3091     
1 1 1 12 26 17 o 0 18.8   7.7   ?    ?   185.243  -29.5679     93.9257    -29.5679     16.2378     150.432      
1 1 1 12 26 18 o 0 11.8   8.8   ?    ?   116.431  142.414      64.3786    142.414      4.33855     -37.5861     
1 1 1 12 26 19 o 0 -0.3   8.6   ?    ?   50.5024  125.292      15.895     125.292      12.0074     -54.7084     
1 1 1 12 26 20 o 0 -10.8  9     ?    ?   17.0363  -66.1428     0.532622   -66.1428     8.79915     113.857      
1 1 1 12 26 21 o 0 9.1    8.2   ?    ?   211.109  15.1538      37.4793    15.1538      66.5908     -164.846     
1 1 1 12 27 0  o 0 38.8   11.8  ?    ?   152.65   180          166.582    180          66.7081     180          
1 1 1 12 27 1  o 0 55.8   7.8   ?    ?   343.301  -133.83      199.114    -133.83      25.828      46.1698      
1 1 1 12 27 2  o 0 7.8    5.9   ?    ?   64.07    -16.0228     16.0658    -16.0228     25.9511     163.977      
1 1 1 12 27 3  o 0 34.7   5.9   ?    ?   269.544  -92.5782     147.67     -92.5782     29.1439     87.4218      
1 1 1 12 27 4  o 0 -3.4   5.5   ?    ?   110.669  94.9517      37.3092    -85.0483     109.883     -85.0483     
1 1 1 12 27 5  o 0 1.1    5.5   ?    ?   84.8064  16.9959      15.7153    -163.004     71.2801     -163.004     
1 1 1 12 27 6  o 0 4.7    4.9   ?    ?   33.0592  94.2899      0.169798   94.2899      21.4596     -85.7101     
1 1 1 12 27 7  o 0 3.2    4.7   ?    ?   45.7171  143.287      5.19178    -36.7132     35.0441     -36.7132     
1 1 1 12 27 8  o 0 48.3   7.1   ?    ?   321.582  134.076      186.011    134.076      18.9004     -45.9241     
1 1 1 12 27 9  o 0 102.1  12.5  ?    ?   388.748  -48.324      328.084    -48.324      81.1201     -48.324      
1 1 1 12 27 10 o 0 2.9    5.4   ?    ?   41.982   -87.2925     0.492582   92.7075      27.0689     92.7075      
1 1 1 12 27 11 o 0 -1.2   4.9   ?    ?   23.3589  -113.519     5.67709    66.4809      20.4047     66.4809      
1 1 1 12 27 12 o 0 17.6   5.3   ?    ?   276.986  96.7608      50.0399    96.7608      119.009     -83.2392     
1 1 1 12 27 13 o 0 65     8.3   ?    ?   143.806  56.812       336.182    56.812       248.857     56.812       
1 1 1 12 27 14 o 0 66.2   10.4  ?    ?   361.219  -122.836     232.308    -122.836     16.6416     -122.836     
1 1 1 12 27 15 o 0 4.2    6.8   ?    ?   52.7225  50.1302      15.1609    50.1302      16.1275     -129.87      
1 1 1 12 27 16 o 0 7.8    7.2   ?    ?   176.136  -76.0344     19.9765    -76.0344     83.8701     103.966      
1 1 1 12 27 17 f 1 17.3   7.7   ?    ?   214.262  -21.6936     76.536     -21.6936     41.539      158.306      
1 1 1 12 27 18 o 0 28     9.6   ?    ?   215.61   165.817      132.275    165.817      14.0487     165.817      
1 1 1 12 27 19 o 0 12.6   9.9   ?    ?   91.6744  122.732      89.4458    122.732      44.158      122.732      
1 1 1 12 28 0  o 0 1.3    10.4  ?    ?   162.943  180          33.9516    180          68.3776     -1.10805e-13 
1 1 1 12 28 1  o 0 32.4   7     ?    ?   125.327  62.3904      196.161    62.3904      117.319     62.3904      
1 1 1 12 28 2  o 0 0.9    5.6   ?    ?   57.238   75.8827      6.22887    -104.117     42.2757     -104.117     
1 1 1 12 28 3  f 1 2      4.9   ?    ?   162.626  165.977      32.8544    -14.0225     135.058     -14.0225     
1 1 1 12 28 4  o 0 11.9   6.1   ?    ?   54.5691  76.3246      40.6292    76.3246      6.24959     76.3246      
1 1 1 12 28 5  o 0 3.7    4.9   ?    ?   55.7578  -173.144     0.6278     6.85609      35.7327     6.85609      
1 1 1 12 28 6  o 0 8.9    5.5   ?    ?   100.95   -179.339     36.0506    -179.339     25.6769     0.660952     
1 1 1 12 28 7  o 0 2.4    5.3   ?    ?   95.9025  -24.2954     5.47505    155.705      64.0116     155.705      
1 1 1 12 28 8  o 0 42.2   6.7   ?    ?   221.718  -60.6866     214.164    -60.6866     79.1479     -60.6866     
1 1 1 12 28 9  o 0 27.6   10.2  ?    ?   72.9167  112.276      142.649    112.276      98.3728     112.276      
1 1 1 12 28 10 o 0 8.3    4.7   ?    ?   130.895  -69.0383     27.1277    -69.0383     52.0854     110.962      
1 1 1 12 28 11 o 0 3.1    4.6   ?    ?   20.793   -103.454     1.68895    -103.454     10.7032     76.546       
1 1 1 12 28 12 o 0 47.1   7.5   ?    ?   245.887  -37.6607     223.131    -37.6607     77.236      -37.6607     
1 1 1 12 28 14 o 0 39.1   10.9  ?    ?   212.584  -95.1984     195.88     -95.1984     78.0734     -95.1984     
1 1 1 12 28 15 o 0 3.7    7.5   ?    ?   106.351  159.833      25.863     159.833      32.7223     -20.1668     
1 1 1 12 28 16 o 0 15     7.8   ?    ?   227.17   -127.02      66.6727    -127.02      46.2484     52.9804      
1 1 1 12 28 17 o 0 5.9    9     ?    ?   87.6734  41.6625      57.3016    41.6625      14.0254     41.6625      
1 1 1 12 29 1  o 0 13.9   6     ?    ?   144.554  -21.1091     69.8184    -21.1091     16.8985     158.891      
1 1 1 12 29 2  o 0 -3.2   6     ?    ?   81.8376  165.392      16.2865    -14.608      65.4452     -14.608      
1 1 1 12 29 3  o 0 4.1    6.1   ?    ?   66.0236  123.539      13.8781    123.539      25.3602     -56.4612     
1 1 1 12 29 4  f 1 49     6.8   ?    ?   232.321  49.2425      240.583    49.2425      102.853     49.2425      
1 1 1 12 29 5  o 0 28.9   5.8   ?    ?   259.773  29.5534      131.9      29.5534      22.4292     -150.447     
1 1 1 12 29 6  o 0 2.9    4.9   ?    ?   116.218  -97.0325     3.00386    82.9676      71.9758     82.9676      
1 1 1 12 29 7  o 0 2.9    6.9   ?    ?   45.0144  105.555      10.065     105.555      16.6068     -74.4453     
1 1 1 12 29 8  o 0 8.9    6.5   ?    ?   108.091  -28.9869     42.1321    -28.9869     21.7755     151.013      
1 1 1 12 29 10 o 0 1.3    9.2   ?    ?   55.285   -19.4602     22.5902    -19.4602     8.07413     160.54       
1 1 1 12 29 11 o 0 -1.6   4.8   ?    ?   39.1505  -58.9285     3.34796    121.072      24.9812     121.072      
1 1 1 12 29 12 o 0 7.3    4.7   ?    ?   116.753  44.2711      52.987     44.2711      5.35449     -135.729     
1 1 1 12 29 13 o 0 25.1   9.2   ?    ?   280.437  105.578      100.701    105.578      38.756      -74.4217     
1 1 1 12 29 14 o 0 15.7   9.1   ?    ?   158.476  -91.7591     94.6379    -91.7591     16.2521     -91.7591     
1 1 1 12 30 0  o 0 17.1   7.6   ?    ?   241.59   3.43044e-15  98.1517    0            34.0724     -180         
1 1 1 12 30 1  o 0 0.5    7     ?    ?   112.869  -155.612     9.04762    -155.612     52.86       24.3881      
1 1 1 12 30 2  o 0 15     6.2   ?    ?   65.9799  109.322      88.5457    109.322      52.3007     109.322      
1 1 1 12 30 3  o 0 -4.1   5.8   ?    ?   23.7952  84.6751      1.76724    -95.3249     14.8508     -95.3249     
1 1 1 12 30 4  o 0 44.7   6.6   ?    ?   328.674  -142.821     178.911    -142.821     1.86414     37.1789      
1 1 1 12 30 5  o 0 38.9   7.4   ?    ?   363.996  -79.0345     132.023    -79.0345     68.1243     100.966      
1 1 1 12 30 6  f 1 6.9    6.7   ?    ?   179.133  -25.8851     20.6989    -25.8851     77.4617     154.115      
1 1 1 12 30 7  f 1 7.9    6.8   ?    ?   103.726  -119.629     61.9475    -119.629     10.3979     -119.629     
1 1 1 12 30 8  o 0 7.1    6.3   ?    ?   72.532   -72.3825     53.0352    -72.3825     16.9675     -72.3825     
1 1 1 12 30 9  o 0 59     11.6  ?    ?   314.878  84.2842      240.908    84.2842      84.7298     84.2842      
1 1 1 12 30 10 o 0 6.3    8.6   ?    ?   79.1747  59.1189      56.8378    59.1189      17.6893     59.1189      
1 1 1 13 0  1  o 0 82.2   11.1  ?    ?   265.551  90           290.52     90           85.8963     90           
1 1 1 13 0  3  o 0 17.6   3.8   ?    ?   479.716  90           124.019    90           241.05      -90          
1 1 1 13 0  4  o 0 134.2  17.9  ?    ?   333.352  -1.74063e-15 387.573    0            135.571     3.23551e-15  
1 1 1 13 0  5  f 1 3      3.4   ?    ?   281.316  90           13.7031    90           196.985     -90          
1 1 1 13 0  6  o 0 455.9  59.4  ?    ?   886.979  -5.57449e-15 707.324    0            45.8174     8.04838e-14  
1 1 1 13 0  7  o 0 50.2   7     ?    ?   63.9228  -90          70.9007    -90          23.5473     -90          
1 1 1 13 0  8  o 0 17.4   3.9   ?    ?   26.2325  -1.93495e-13 9.4934     0            8.74607     180          
1 1 1 13 0  9  o 0 -3.4   3     ?    ?   56.488   -90          0.67544    -90          38.5245     90           
1 1 1 13 0  10 f 1 64.2   7.9   ?    ?   577.841  180          245.903    180          151.465     9.00135e-15  
1 1 1 13 0  11 o 0 27.3   4.9   ?    ?   452.192  90           147.622    90           162.13      -90          
1 1 1 13 0  12 o 0 40.4   6.2   ?    ?   438.543  -1.19935e-14 185.098    0            113.364     180          
1 1 1 13 0  13 o 0 110.6  11.4  ?    ?   275.928  90           307.842    90           121.276     90           
1 1 1 13 0  14 o 0 224.3  24.6  ?    ?   580.884  -6.10029e-15 449.207    0            59.0536     4.03031e-14  
1 1 1 13 0  15 o 0 300.3  33    ?    ?   560.346  -90          515.963    -90          138.189     -90          
1 1 1 13 0  16 o 0 17.2   5.6   ?    ?   258.522  4.38735e-15  71.2771    0            101.788     -180         
1 1 1 13 0  17 o 0 23.3   6     ?    ?   37.7529  -90          15.8356    -90          7.43017     90           
1 1 1 13 0  18 o 0 60.9   8.9   ?    ?   185.875  -180         161.692    180          47.6706     180          
1 1 1 13 0  19 o 0 70.6   12.3  ?    ?   86.9994  90           105.171    90           52.2304     90           
1 1 1 13 0  20 o 0 20     10.1  ?    ?   148.539  180          39.5265    180          50.0992     -6.57483e-15 
1 1 1 13 0  21 o 0 8.3    10.2  ?    ?   108.612  -90          12.5537    -90          52.2583     90           
1 1 1 13 0  22 o 0 19.5   11.8  ?    ?   72.4182  180          18.6393    180          24.1692     -3.98527e-14 
1 1 1 13 0  23 o 0 182.3  22.7  ?    ?   377.377  90           347.763    90           124.347     90           
1 1 1 13 0  24 o 0 418    41.2  ?    ?   889.386  180          554.473    180          0.505486    180          
1 1 1 13 0  25 f 1 92.1   15.7  ?    ?   250.751  90           248.259    90           92.6035     90           
1 1 1 13 0  26 o 0 7.9    11.8  ?    ?   164.617  -9.73366e-15 23.163     0            78.0976     180          
1 1 1 13 0  27 o 0 10.6   10.6  ?    ?   157.355  -90          28.3251    -90          65.3615     90           
1 1 1 13 0  28 o 0 482.7  54.2  ?    ?   1186.61  -3.50694e-15 562.612    0            97.5456     180          
1 1 1 13 0  29 f 1 128.1  23.1  ?    ?   451.47   -90          284.133    -90          36.9863     -90          
1 1 1 13 0  30 o 0 24.8   14.3  ?    ?   152.772  180          66.1301    180          13.6195     -1.62608e-14 
1 1 1 13 0  31 o 0 73.1   18.6  ?    ?   123.038  -90          178.695    -90          116.295     -90          
1 1 1 13 0  32 o 0 -15.7  40    ?    ?   166.418  180          48.1364    180          38.796      8.65769e-15  
1 1 1 13 0  33 o 0 -3.3   14.4  ?    ?   16.1035  90           2.96474    90           7.3063      -90          
1 1 1 13 0  34 o 0 20.1   11.9  ?    ?   168.314  -3.99368e-15 87.9765    0            19.695      180          
1 1 1 13 0  35 o 0 0      16.4  ?    ?   93.9803  90           26.6083    90           32.5892     -90          
1 1 1 13 0  36 o 0 103.5  18.3  ?    ?   449.065  -5.40977e-15 278.764    0            7.0824      2.07519e-13  
1 1 1 13 0  37 o 0 85.2   17.1  ?    ?   200.537  -90          245.553    -90          129.806     -90          
1 1 1 13 0  38 f 1 29.4   10.8  ?    ?   149.35   180          127.371    180          48.7168     180          
1 1 1 13 0  39 o 0 10.4   11.9  ?    ?   75.2032  90           42.8472    90           7.51442     90           
1 1 1 13 1  0  o 0 17.5   3.7   ?    ?   15.1829  90           6.14983    90           5.52681     -90          
1 1 1 13 1  1  o 0 88.4   8.4   ?    ?   387.273  57.2213      283.258    57.2213      12.89       -122.779     
1 1 1 13 1  2  o 0 210.4  19.6  ?    ?   408.105  -52.3586     617.535    -52.3586     307.381     -52.3586     
1 1 1 13 1  3  o 0 88.3   8.5   ?    ?   446.989  -19.079      243.932    -19.079      93.5707     160.921      
1 1 1 13 1  4  o 0 46.5   5.1   ?    ?   299.666  -178.128     142.71     -178.128     82.048      1.87247      
1 1 1 13 1  5  o 0 23.5   3.3   ?    ?   71.5189  -22.6976     22.8137    -22.6976     30.4673     157.302      
1 1 1 13 1  6  o 0 161.6  17.7  ?    ?   581.346  -29.8772     372.829    -29.8772     57.3735     150.123      
1 1 1 13 1  7  o 0 90.5   7.4   ?    ?   420.32   55.3056      261.565    55.3056      47.4222     -124.694     
1 1 1 13 1  8  o 0 167    12.8  ?    ?   601.052  -164.555     350.56     -164.555     64.214      15.4449      
1 1 1 13 1  9  o 0 3.7    2.2   ?    ?   137.724  73.365       73.3233    -106.635     168.196     -106.635     
1 1 1 13 1  10 o 0 364    27.5  ?    ?   832.38   -148.602     573.017    -148.602     3.23216     -148.602     
1 1 1 13 1  11 o 0 565.6  46.6  ?    ?   889.617  13.9965      813.962    13.9965      208.796     13.9965      
1 1 1 13 1  12 o 0 25.8   3.5   ?    ?   93.6298  -93.8637     35.6247    -93.8637     27.6704     86.1363      
1 1 1 13 1  13 o 0 5      2.8   ?    ?   157.714  94.2269      74.0639    -85.7731     180.011     -85.7731     
1 1 1 13 1  14 o 0 85.7   7.2   ?    ?   562.717  135.632      140.575    135.632      235.028     -44.3679     
1 1 1 13 1  15 o 0 412.2  27.3  ?    ?   722.487  -133.667     693.535    -133.667     209.352     -133.667     
1 1 1 13 1  16 o 0 191.1  14.2  ?    ?   706.037  -36.5905     316.995    -36.5905     152.959     143.409      
1 1 1 13 1  17 o 0 19.7   4.2   ?    ?   199.723  -160.402     4.78728    -160.402     117.624     19.5983      
1 1 1 13 1  18 o 0 57.2   6.2   ?    ?   394.343  -3.52115     115.709    -3.52115     124.936     176.479      
1 1 1 13 1  19 f 1 75.1   8.9   ?    ?   283.997  116.67       218.573    116.67       47.0521     116.67       
1 1 1 13 1  20 o 0 252.8  21    ?    ?   740.187  172.41       373.935    172.411      70.5866     -7.5895      
1 1 1 13 1  21 o 0 -1.1   7.4   ?    ?   129.499  -147.314     54.3394    32.6856      131.272     32.6856      
1 1 1 13 1  22 o 0 97.1   10.6  ?    ?   668.832  152.055      93.2976    152.055      300.409     -27.9452     
1 1 1 13 1  23 o 0 169.7  13.6  ?    ?   488.317  131.792      351.531    131.792      63.5802     131.792      
1 1 1 13 1  24 o 0 107.1  11.3  ?    ?   379.705  -28.3161     280.156    -28.3161     44.5322     -28.3161     
1 1 1 13 1  25 o 0 9.1    7.4   ?    ?   230.328  2.22156      55.1572    -177.778     198.002     -177.778     
1 1 1 13 1  26 o 0 22.6   7.6   ?    ?   262.712  -101.606     18.3798    -101.606     142.693     78.3942      
1 1 1 13 1  27 o 0 62.2   10.4  ?    ?   342.846  38.6977      169.269    38.6977      34.2312     -141.302     
1 1 1 13 1  28 o 0 146.3  14.5  ?    ?   368.78   47.0548      388.101    47.0548      183.519     47.0548      
1 1 1 13 1  29 o 0 24.4   8.5   ?    ?   23.3013  135.658      17.5121    135.658      4.75729     135.658      
1 1 1 13 1  30 o 0 11.1   8.2   ?    ?   159.83   169.441      5.95851    169.441      77.2716     -10.5588     
1 1 1 13 1  31 o 0 24.1   11.3  ?    ?   259.64   71.7211      60.5794    71.7211      70.8035     -108.279     
1 1 1 13 1  32 o 0 22.9   13.9  ?    ?   279.786  -58.9409     43.8737    -58.9409     101.978     121.059      
1 1 1 13 1  33 o 0 10.4   11.4  ?    ?   168.081  -152.931     24.1153    -152.931     82.8879     27.0691      
1 1 1 13 1  34 o 0 26.8   10    ?    ?   148.123  104.032      134.028    104.032      39.433      104.032      
1 1 1 13 1  35 o 0 10.5   8.8   ?    ?   86.3843  -134.576     37.7479    -134.576     16.5822     45.4241      
1 1 1 13 1  36 o 0 158.3  16.8  ?    ?   628.877  124.504      306.78     124.504      73.1723     -55.4962     
1 1 1 13 1  37 o 0 20.9   8.6   ?    ?   261.908  -109.843     61.3733    -109.843     89.6175     70.1569      
1 1 1 13 1  38 o 0 75     10.3  ?    ?   464.577  -61.1214     206.43     -61.1214     38.6175     118.879      
1 1 1 13 1  39 o 0 3.6    6.9   ?    ?   182.513  159.311      16.1097    159.311      69.5664     -20.6887     
1 1 1 13 2  0  o 0 11.3   3.1   ?    ?   50.4572  -90          12.6019    -90          25.891      90           
1 1 1 13 2  1  o 0 27.2   2.7   ?    ?   145.155  8.06975      55.4474    8.06975      54.6506     -171.93      
1 1 1 13 2  2  o 0 352.4  29.1  ?    ?   737.97   52.2385      679.481    52.2385      123.213     52.2385      
1 1 1 13 2  3  o 0 46.8   4.8   ?    ?   278.501  -147.384     151.609    -147.384     56.9608     32.6158      
1 1 1 13 2  4  o 0 175.3  16.3  ?    ?   530.087  -108.14      444.745    -108.14      50.385      -108.14      
1 1 1 13 2  5  o 0 9      2.3   ?    ?   42.0419  172.601      13.6665    -7.39911     44.7364     -7.39911     
1 1 1 13 2  7  o 0 409.9  30.9  ?    ?   708.621  133.421      732.987    133.421      244.602     133.421      
1 1 1 13 2  8  o 0 19.3   2.5   ?    ?   296.636  137.416      21.3976    -42.5842     225.49      -42.5842     
1 1 1 13 2  9  o 0 96.5   7.7   ?    ?   360.276  44.8469      292.974    44.8469      46.6335     44.8469      
1 1 1 13 2  10 o 0 72.1   5.7   ?    ?   735.21   -68.0012     11.4045    111.999      511.044     111.999      
1 1 1 13 2  11 o 0 181.5  13.2  ?    ?   198.142  -103.094     564.641    -103.094     430.798     -103.094     
1 1 1 13 2  12 o 0 31.4   3.9   ?    ?   348.401  70.2051      33.8887    70.2051      200.036     -109.795     
1 1 1 13 2  13 o 0 64.9   5.9   ?    ?   345.076  -96.2946     186.007    -96.2946     44.281      83.7054      
1 1 1 13 2  14 o 0 126.6  10.6  ?    ?   439.279  -175.55      325.274    -175.55      30.8267     -175.55      
1 1 1 13 2  15 o 0 839.7  58.5  ?    ?   1305.27  -46.7238     821.972    -46.7238     47.4127     133.276      
1 1 1 13 2  16 o 0 481.4  33.9  ?    ?   916.159  136.75       610.196    136.75       48.0205     136.75       
1 1 1 13 2  17 o 0 25     4.4   ?    ?   491.31   177.158      72.413     -2.84186     371.834     -2.84186     
1 1 1 13 2  18 o 0 20.3   4.6   ?    ?   124.805  -177.693     13.6374    -177.693     62.1096     2.30739      
1 1 1 13 2  19 o 0 57     8.7   ?    ?   232.261  120.912      167.053    120.912      27.15       120.912      
1 1 1 13 2  20 o 0 255.1  21.3  ?    ?   546.808  81.3217      482.011    81.3217      155.264     81.3217      
1 1 1 13 2  21 f 1 -0.1   7.9   ?    ?   287.106  147.968      117.295    -32.0315     286.607     -32.0315     
1 1 1 13 2  22 o 0 1      6.8   ?    ?   253.07   -39.5453     104.533    140.455      252.822     140.455      
1 1 1 13 2  23 o 0 106.8  10.7  ?    ?   555.396  171.085      176.027    171.085      150.054     -8.91502     
1 1 1 13 2  24 o 0 218.6  18    ?    ?   522.976  165.251      443.582    165.251      120.396     165.251      
1 1 1 13 2  25 o 0 169.5  16.4  ?    ?   490.816  1.4708       361.734    1.4708       58.5375     1.4708       
1 1 1 13 2  26 o 0 91.8   10.8  ?    ?   315.42   -136.842     264.337    -136.842     71.6718     -136.842     
1 1 1 13 2  27 f 1 104.1  12.3  ?    ?   430.785  -163.774     247.591    -163.774     6.54609     16.2259      
1 1 1 13 2  28 o 0 36.7   8.6   ?    ?   261.381  -28.0631     117.206    -28.0631     27.3107     151.937      
1 1 1 13 2  29 o 0 45.8   8.7   ?    ?   304.981  75.4417      136.221    75.4417      30.1935     -104.558     
1 1 1 13 2  30 f 1 30.9   11.1  ?    ?   230.393  -100.359     98.094     -100.359     21.2165     79.6413      
1 1 1 13 2  31 o 0 5      11.3  ?    ?   149.73   106.249      0.729368   106.249      74.8249     -73.7512     
1 1 1 13 2  32 o 0 109.5  16.2  ?    ?   492.102  -95.7984     230.78     -95.7984     25.0783     84.2016      
1 1 1 13 2  33 o 0 28.1   12    ?    ?   155.369  155.224      137.917    155.224      37.2635     155.224      
1 1 1 13 2  34 o 0 31.5   11.3  ?    ?   188.259  113.168      145.393    113.168      25.4413     113.168      
1 1 1 13 2  35 o 0 19.3   8.2   ?    ?   210.862  -44.9343     70.1029    -44.9343     62.2339     135.066      
1 1 1 13 2  36 o 0 80.3   11.6  ?    ?   402.92   88.0576      237.481    88.0576      5.47471     -91.9424     
1 1 1 13 2  37 o 0 87.6   10.7  ?    ?   356.37   67.2632      293.17     67.2632      90.4146     67.2632      
1 1 1 13 2  38 o 0 8.3    7.3   ?    ?   149.769  -157.091     41.0337    -157.091     37.8333     22.9093      
1 1 1 13 2  39 o 0 0      7.3   ?    ?   16.96    -36.7695     7.95356    -36.7695     0.00418227  -36.7695     
1 1 1 13 3  0  o 0 59.7   6.8   ?    ?   189.514  90           200.868    90           57.5107     90           
1 1 1 13 3  1  o 0 87.5   8.3   ?    ?   382.391  -133.982     278.167    -133.982     9.42913     46.0178      
1 1 1 13 3  2  f 1 120.4  11.4  ?    ?   497.536  -104.417     316.785    -104.417     54.1567     75.5834      
1 1 1 13 3  3  o 0 344.9  28.4  ?    ?   754.873  169.902      645.063    169.902      84.4129     169.902      
1 1 1 13 3  4  o 0 22.5   2.7   ?    ?   407.605  48.9178      53.3478    -131.082     354.115     -131.082     
1 1 1 13 3  5  o 0 37.4   3.4   ?    ?   362.963  -175.182     63.9154    -175.182     202.172     4.81799      
1 1 1 13 3  6  o 0 1786.7 133.1 ?    ?   2087.81  60.6757      1182.97    60.6757      337.782     -119.324     
1 1 1 13 3  7  o 0 93.7   8.4   ?    ?   804.953  -86.0413     18.0337    -86.0413     532.478     93.9587      
1 1 1 13 3  8  o 0 20.7   2.7   ?    ?   122.088  -89.0592     19.2385    -89.0592     64.1301     90.9408      
1 1 1 13 3  9  o 0 37.8   3.4   ?    ?   405.182  -147.957     41.2968    -147.957     233.719     32.0432      
1 1 1 13 3  10 o 0 161.4  10.9  ?    ?   778.889  14.198       216.144    14.198       309.399     -165.802     
1 1 1 13 3  11 o 0 341.6  24.1  ?    ?   937.958  146.962      459.066    146.962      170.109     -33.038      
1 1 1 13 3  12 o 0 492    34.4  ?    ?   948.866  149.104      669.417    149.104      36.6339     149.104      
1 1 1 13 3  13 o 0 8.1    3.1   ?    ?   104.716  55.0095      35.5348    -124.991     104.958     -124.991     
1 1 1 13 3  14 o 0 435.1  30.7  ?    ?   821.454  -174.824     659.189    -174.824     112.082     -174.824     
1 1 1 13 3  16 o 0 272.2  23.7  ?    ?   541.568  -34.1256     525.892    -34.1256     195.565     -34.1256     
1 1 1 13 3  17 o 0 53.1   5.8   ?    ?   351.616  -122.172     118.953    -122.172     94.0905     57.8282      
1 1 1 13 3  18 o 0 40.7   5.8   ?    ?   462.844  -129.497     17.3718    -129.497     261.963     50.5035      
1 1 1 13 3  19 o 0 476.1  33.9  ?    ?   823.816  -81.5514     638.358    -81.5514     144.824     -81.5514     
1 1 1 13 3  20 o 0 381.5  30.2  ?    ?   669.03   -5.77758     599.13     -5.77758     201.442     -5.77758     
1 1 1 13 3  21 o 0 84.1   11.7  ?    ?   401.521  59.0189      194.836    59.0189      41.3598     -120.981     
1 1 1 13 3  22 o 0 69.1   9.6   ?    ?   492.991  -24.9555     104.636    -24.9555     182.833     155.044      
1 1 1 13 3  23 o 0 173.8  16.5  ?    ?   668.481  -157.79      259.523    -157.79      131.114     22.21        
1 1 1 13 3  24 o 0 92.6   10.3  ?    ?   197.221  56.9617      300.411    56.9617      179.083     56.9617      
1 1 1 13 3  25 o 0 111    11.8  ?    ?   459.277  44.7192      245.364    44.7192      37.1218     -135.281     
1 1 1 13 3  26 f 1 76.1   9.8   ?    ?   452.55   -7.48417     150.839    -7.48417     123.733     172.516      
1 1 1 13 3  27 o 0 14.5   7.5   ?    ?   142.34   -64.6575     6.66068    -64.6575     77.1928     115.342      
1 1 1 13 3  28 f 1 80.1   12.6  ?    ?   464.039  85.6479      177.21     85.6479      77.7214     -94.3521     
1 1 1 13 3  29 o 0 8.9    9.9   ?    ?   180.81   -156.59      11.1019    23.4097      109.402     23.4097      
1 1 1 13 3  30 o 0 16.4   8.7   ?    ?   70.4664  49.0943      24.7915    49.0943      11.6667     -130.906     
1 1 1 13 3  31 o 0 88.1   12.9  ?    ?   214.374  134.477      306.266    134.477      198.452     134.477      
1 1 1 13 3  32 o 0 95.7   14.7  ?    ?   443.346  -174.077     221.131    -174.077     8.64901     5.92287      
1 1 1 13 3  33 o 0 5.7    9.3   ?    ?   86.6314  -133.551     15.4319    -133.551     40.5223     46.449       
1 1 1 13 3  34 o 0 3      9.5   ?    ?   125.206  -0.764472    7.038      -0.764472    72.6858     179.236      
1 1 1 13 3  35 o 0 -4.8   9.4   ?    ?   103.981  125.505      7.24342    -54.4951     70.9109     -54.4951     
1 1 1 13 3  36 o 0 138.7  14.6  ?    ?   480.844  -89.5388     357.233    -89.5387     76.013      -89.5387     
1 1 1 13 3  37 o 0 35.4   9.9   ?    ?   254.941  63.8049      149.841    63.8049      5.14342     63.8049      
1 1 1 13 3  38 o 0 151.9  15    ?    ?   480.82   77.7945      389.758    77.7945      137.138     77.7945      
1 1 1 13 3  39 o 0 7.9    7.2   ?    ?   118.554  30.6398      56.0317    30.6398      0.582367    30.6398      
1 1 1 13 4  0  o 0 1      2.2   ?    ?   15.0006  90           0.352445   90           10.8967     -90          
1 1 1 13 4  1  o 0 61.1   5.4   ?    ?   356.804  -127.365     185.153    -127.365     80.9105     52.6349      
1 1 1 13 4  2  o 0 235.8  19.6  ?    ?   695.684  -130.107     472.808    -130.107     42.8382     49.8928      
1 1 1 13 4  3  o 0 168.6  14.1  ?    ?   458.657  33.0999      469.391    33.0999      131.547     33.0999      
1 1 1 13 4  4  o 0 57.3   4.7   ?    ?   419.291  31.3837      131.728    31.3837      175.169     -148.616     
1 1 1 13 4  5  f 1 45.8   4.2   ?    ?   239.316  -72.8178     152.157    -72.8178     21.457      107.182      
1 1 1 13 4  6  o 0 234.8  17.9  ?    ?   774.542  54.0387      384.109    54.0387      144.861     -125.961     
1 1 1 13 4  7  o 0 1143   79.1  ?    ?   1441.69  -102.687     1049.19    -102.687     66.0581     -102.687     
1 1 1 13 4  8  o 0 33.1   3.1   ?    ?   229.358  120.274      81.7831    120.274      73.6883     -59.7264     
1 1 1 13 4  9  o 0 67.9   5.1   ?    ?   309.356  -153.61      214.4      -153.61      5.92673     -153.61      
1 1 1 13 4  10 o 0 632.2  41.1  ?    ?   1064.43  154.342      773.536    154.342      60.3373     154.342      
1 1 1 13 4  11 o 0 535.6  37.4  ?    ?   827.866  120.691      802.62     120.691      251.074     120.691      
1 1 1 13 4  12 o 0 366.3  24.1  ?    ?   1073.92  -13.1448     405.979    -13.1448     305.443     166.855      
1 1 1 13 4  13 o 0 34.1   4.2   ?    ?   311.601  86.1934      62.4528    86.1934      142.789     -93.8066     
1 1 1 13 4  14 f 1 609.8  42.6  ?    ?   876.059  -2.89012     845.583    -2.89012     267.291     -2.89012     
1 1 1 13 4  15 o 0 99     8.2   ?    ?   331.962  27.2539      296.026    27.2539      77.6445     27.2539      
1 1 1 13 4  16 o 0 210.2  16.7  ?    ?   372.989  -57.7576     500.907    -57.7576     274.775     -57.7576     
1 1 1 13 4  17 o 0 21.4   4.6   ?    ?   172.796  55.1958      17.0575    55.1958      87.3432     -124.804     
1 1 1 13 4  18 o 0 92.2   9.1   ?    ?   458.409  15.1453      192.234    15.1453      82.8418     -164.855     
1 1 1 13 4  19 o 0 251.2  19.1  ?    ?   794.898  -63.0488     338.022    -63.0488     135.535     116.951      
1 1 1 13 4  20 o 0 354.2  28.5  ?    ?   592.037  158.638      602.336    158.638      253.078     158.638      
1 1 1 13 4  21 o 0 56.1   8.7   ?    ?   492.24   46.2152      62.4453    46.2152      225.59      -133.785     
1 1 1 13 4  22 o 0 39.3   8.2   ?    ?   24.0884  -87.6218     21.4777    -87.6218     7.50346     -87.6218     
1 1 1 13 4  23 o 0 35.2   8.4   ?    ?   184.412  61.8654      89.6517    61.8654      17.5763     -118.135     
1 1 1 13 4  24 o 0 126.1  11.9  ?    ?   519.453  17.8545      251.078    17.8545      66.943      -162.146     
1 1 1 13 4  25 o 0 210.9  16.7  ?    ?   629.28   -146.965     360.997    -146.965     24.2424     33.0345      
1 1 1 13 4  26 o 0 59.6   10.2  ?    ?   215.414  78.0519      208.778    78.0519      80.9624     78.0519      
1 1 1 13 4  27 o 0 25.3   9.4   ?    ?   412.926  22.3727      22.293     -157.627     264.484     -157.627     
1 1 1 13 4  28 o 0 386.7  28    ?    ?   957.707  -126.199     464.567    -126.199     60.6946     53.8015      
1 1 1 13 4  29 o 0 19.3   9.6   ?    ?   263.968  101.369      29.4497    101.369      108.439     -78.6307     
1 1 1 13 4  30 o 0 137    15.5  ?    ?   487.473  93.8836      306.153    93.8836      54.938      93.8836      
1 1 1 13 4  31 o 0 31.4   10.2  ?    ?   88.8281  125.4        99.6907    125.4        55.1867     125.4        
1 1 1 13 4  32 o 0 17.4   9.1   ?    ?   81.2561  -159.518     56.0149    -159.518     3.94257     -159.518     
1 1 1 13 4  33 o 0 95.8   13.6  ?    ?   669.48   -22.201      127.575    -22.201      303.307     157.799      
1 1 1 13 4  34 o 0 4.5    9.2   ?    ?   20.6905  -55.1271     5.27954    -55.1271     7.85023     124.873      
1 1 1 13 4  35 o 0 6.7    8.8   ?    ?   24.4856  -173.35      10.6648    -173.35      4.27886     6.64974      
1 1 1 13 4  36 o 0 0.8    7.7   ?    ?   86.6116  -175.896     3.40816    -175.896     47.0881     4.1044       
1 1 1 13 4  37 o 0 92.9   12    ?    ?   235.094  -5.73917     365.53     -5.73917     232.497     -5.73917     
1 1 1 13 4  38 o 0 20.4   8.3   ?    ?   97.3809  61.8858      121.765    61.8858      70.7488     61.8858      
1 1 1 13 4  39 o 0 4.9    8.1   ?    ?   132.22   155.136      41.5335    155.136      20.1379     -24.8637     
1 1 1 13 5  0  o 0 18.5   2.8   ?    ?   287.546  -90          98.8294    -90          114.927     90           
1 1 1 13 5  1  o 0 236.9  15.5  ?    ?   677.974  130.951      487.891    130.951      13.3579     -49.0494     
1 1 1 13 5  2  o 0 427.2  29.9  ?    ?   843.094  114.05       716.944    114.05       97.2297     114.05       
1 1 1 13 5  3  o 0 90.6   7.9   ?    ?   420.845  -28.5382     259.889    -28.5382     47.5955     151.462      
1 1 1 13 5  4  o 0 20.2   2.5   ?    ?   281.318  -146.807     11.3378    33.1929      204.363     33.1929      
1 1 1 13 5  5  o 0 39.7   3.4   ?    ?   430.57   17.6033      37.4691    17.6033      256.164     -162.397     
1 1 1 13 5  6  o 0 1051.6 72.7  ?    ?   1626.3   -131.616     842.418    -131.616     265.102     48.3844      
1 1 1 13 5  7  o 0 215.2  15.3  ?    ?   1022.78  152.221      177.218    152.221      515.184     -27.7794     
1 1 1 13 5  8  o 0 87.6   6.2   ?    ?   479.554  134.199      196.713    134.199      126.055     -45.8011     
1 1 1 13 5  9  o 0 -1.5   2.1   ?    ?   181.069  -31.1513     113.352    148.849      234.53      148.849      
1 1 1 13 5  10 o 0 196.7  13.2  ?    ?   767.483  -173.375     299.198    -173.375     211.563     6.62469      
1 1 1 13 5  11 o 0 817.7  53.2  ?    ?   1110.79  -2.18571     937.779    -2.18571     202.639     -2.18571     
1 1 1 13 5  12 o 0 381.2  25.1  ?    ?   948.332  -40.956      506.209    -40.956      117.942     139.044      
1 1 1 13 5  13 o 0 8.4    3     ?    ?   163.766  25.9564      56.1986    -154.044     164.521     -154.044     
1 1 1 13 5  14 o 0 96     7.3   ?    ?   303.746  -41.4377     298.63     -41.4377     98.8629     -41.4377     
1 1 1 13 5  15 f 1 733.4  51.2  ?    ?   1001.48  -72.7709     828.49     -72.771      222.839     -72.771      
1 1 1 13 5  16 o 0 26.5   4.5   ?    ?   131.384  -156.29      38.8694    -156.29      40.3059     23.7099      
1 1 1 13 5  17 f 1 14.9   4.5   ?    ?   107.776  175.226      6.83879    -4.77379     71.4044     -4.77379     
1 1 1 13 5  18 o 0 198.2  18.1  ?    ?   600.109  -14.3434     353.151    -14.3434     4.86779     165.657      
1 1 1 13 5  19 o 0 37.6   7.9   ?    ?   198.324  -176.038     89.8347    -176.038     27.6442     3.9622       
1 1 1 13 5  20 o 0 661.6  70.7  ?    ?   828.707  98.265       812.19     98.265       326.037     98.265       
1 1 1 13 5  21 o 0 239.6  20.2  ?    ?   672.89   -175.423     379.748    -175.423     11.8463     4.57719      
1 1 1 13 5  22 o 0 72.2   10    ?    ?   393.667  137.927      161.794    137.927      67.9812     -42.0733     
1 1 1 13 5  23 o 0 206.7  18.7  ?    ?   626.028  137.093      339.798    137.093      22.3084     -42.9074     
1 1 1 13 5  24 o 0 287.8  23.2  ?    ?   636.039  -31.1296     487.944    -31.1296     96.5373     -31.1296     
1 1 1 13 5  25 o 0 158.1  16.5  ?    ?   321.643  -103.262     418.813    -103.262     222.89      -103.262     
1 1 1 13 5  26 o 0 67.5   9.7   ?    ?   335.427  179.288      189.6      179.288      8.4544      -0.712159    
1 1 1 13 5  27 o 0 14.3   7.9   ?    ?   120.784  85.4426      7.17708    85.4426      63.3285     -94.5574     
1 1 1 13 5  28 o 0 6.3    9.2   ?    ?   404.679  -41.6929     104.874    138.307      325.794     138.307      
1 1 1 13 5  29 o 0 108.2  13.4  ?    ?   443.311  -52.943      266.254    -52.943      35.7282     -52.943      
1 1 1 13 5  30 o 0 10     9.2   ?    ?   84.9116  -126.773     12.6131    -126.773     30.3487     53.2268      
1 1 1 13 5  31 o 0 76.9   12.4  ?    ?   407.777  -46.8434     198.304    -46.8434     5.12448     133.157      
1 1 1 13 5  32 o 0 114.3  13.3  ?    ?   409.177  -111.656     348.878    -111.656     87.7486     -111.656     
1 1 1 13 5  33 o 0 8.5    9.2   ?    ?   185.235  105.175      11.56      105.175      107.178     -74.825      
1 1 1 13 5  34 o 0 40.2   10.1  ?    ?   68.8652  158.296      194.701    158.296      151.171     158.296      
1 1 1 13 5  35 o 0 7.7    10.3  ?    ?   50.0991  -22.8926     26.7069    -22.8926     3.75264     157.107      
1 1 1 13 5  36 o 0 49     8.5   ?    ?   389.818  92.6863      143.359    92.6863      83.076      -87.3137     
1 1 1 13 5  37 o 0 115.5  12.2  ?    ?   474.221  -2.16215     302.206    -2.16215     34.8125     -2.16215     
1 1 1 13 5  38 o 0 80.6   10.3  ?    ?   428.095  -82.4691     238.312    -82.4691     14.8112     -82.4691     
1 1 1 13 5  39 o 0 4      7.9   ?    ?   97.9002  150.905      42.1123    150.905      3.39948     -29.0945     
1 1 1 13 6  0  o 0 -0.4   2.5   ?    ?   13.9533  -90          0.229203   -90          9.48625     90           
1 1 1 13 6  1  o 0 266.7  18.7  ?    ?   729.613  -12.9253     481.85     -12.9253     23.5322     167.075      
1 1 1 13 6  2  o 0 122    10.4  ?    ?   359.028  -162.778     372.429    -162.778     125.114     -162.778     
1 1 1 13 6  3  o 0 359    25    ?    ?   1097.75  129.568      395.141    129.568      356.7       -50.4317     
1 1 1 13 6  4  o 0 24.1   2.6   ?    ?   162.773  142.133      37.5148    142.133      73.831      -37.8665     
1 1 1 13 6  5  o 0 21.5   2.5   ?    ?   259.046  160.211      6.36007    160.211      169.805     -19.7885     
1 1 1 13 6  6  o 0 364.2  25.5  ?    ?   637.791  24.3365      690.467    24.3365      259.251     24.3365      
1 1 1 13 6  7  f 1 1407.6 91    ?    ?   1923.97  85.3246      938.99     85.3246      351.065     -94.6754     
1 1 1 13 6  8  o 0 8.3    2.1   ?    ?   140.157  27.998       45.9015    -152.002     139.593     -152.002     
1 1 1 13 6  9  o 0 47.8   4     ?    ?   354.233  28.7943      111.634    28.7943      123.853     -151.206     
1 1 1 13 6  10 o 0 100.3  7.1   ?    ?   469.839  -12.0909     237.81     -12.0909     72.8256     167.909      
1 1 1 13 6  11 f 1 1266.8 82.2  ?    ?   1054.48  -141.368     1375.84    -141.368     684.227     -141.368     
1 1 1 13 6  12 o 0 108.3  8     ?    ?   461.935  142.276      258.773    142.276      46.5461     -37.724      
1 1 1 13 6  13 o 0 44     4.3   ?    ?   191.741  -4.13659     129.593    -4.13659     3.55672     -4.13659     
1 1 1 13 6  14 o 0 -7.4   3.2   ?    ?   151.344  -162.727     93.5521    17.2731      192.476     17.2731      
1 1 1 13 6  15 o 0 304.2  20.5  ?    ?   664.523  -112.417     503.551    -112.417     103.084     -112.417     
1 1 1 13 6  16 o 0 55.5   6.7   ?    ?   520.672  38.8882      45.4322    38.8882      267.411     -141.112     
1 1 1 13 6  17 o 0 40     6.7   ?    ?   395.42   -90.6967     45.7379    -90.6967     190.351     89.3033      
1 1 1 13 6  18 o 0 399.4  33.9  ?    ?   782.024  85.9937      558.454    85.9937      94.6365     85.9937      
1 1 1 13 6  19 o 0 70.9   9     ?    ?   432.321  -122.956     141.234    -122.956     112.826     57.0436      
1 1 1 13 6  20 o 0 682.2  72.9  ?    ?   1139.47  -67.1789     652.678    -67.1789     11.9701     112.821      
1 1 1 13 6  21 o 0 40.7   7.8   ?    ?   223.194  101.774      103.739    101.774      25.42       -78.2259     
1 1 1 13 6  22 o 0 5.8    7     ?    ?   109.66   155.714      32.1903    -24.2858     95.8412     -24.2858     
1 1 1 13 6  23 o 0 209    17.9  ?    ?   534.618  -59.0375     414.867    -59.0375     87.8852     -59.0375     
1 1 1 13 6  24 o 0 164.9  14.1  ?    ?   427.024  21.8782      383.93     21.8782      122.561     21.8782      
1 1 1 13 6  25 o 0 232.9  18.2  ?    ?   622.337  51.3609      399.572    51.3609      22.4931     51.3609      
1 1 1 13 6  26 o 0 6      7.3   ?    ?   120.243  -103.559     26.1171    76.441       96.7455     76.441       
1 1 1 13 6  27 o 0 4.5    7.9   ?    ?   192.885  -120.441     39.5951    59.5595      145.63      59.5595      
1 1 1 13 6  28 o 0 118.9  12.8  ?    ?   653.754  46.8476      178.374    46.8476      176.729     -133.152     
1 1 1 13 6  29 o 0 28.3   9.4   ?    ?   82.4004  -72.8972     75.3417    -72.8972     32.7035     -72.8972     
1 1 1 13 6  30 o 0 53.8   10.4  ?    ?   247.811  -104.608     194.899    -104.608     70.1211     -104.608     
1 1 1 13 6  31 o 0 65.4   10.1  ?    ?   359.51   145.347      182.101    145.347      4.64298     -34.6531     
1 1 1 13 6  32 o 0 204    20.1  ?    ?   606.392  -156.464     437.286    -156.464     52.0856     -156.464     
1 1 1 13 6  33 o 0 233.7  24.1  ?    ?   609.979  152.213      474.87     152.213      85.6323     152.213      
1 1 1 13 6  34 o 0 22.5   12.8  ?    ?   223.962  32.591       76.4451    32.591       64.495      -147.409     
1 1 1 13 6  35 o 0 2      8.1   ?    ?   86.6226  137.774      6.04256    137.774      46.3956     -42.2258     
1 1 1 13 6  36 o 0 27.9   8     ?    ?   176.042  -148.697     148.875    -148.697     47.047      -148.697     
1 1 1 13 6  37 o 0 0.5    7.4   ?    ?   102.816  -4.35747     3.79822    -4.35747     53.9372     175.643      
1 1 1 13 6  38 o 0 37.6   8.8   ?    ?   269.689  -32.2051     158.403    -32.2051     18.1673     -32.2051     
1 1 1 13 7  0  o 0 59     6.1   ?    ?   426.215  90           233.761    90           61.8043     -90          
1 1 1 13 7  1  o 0 219.7  15.5  ?    ?   774.803  -118.49      354.168    -118.49      180.509     61.5101      
1 1 1 13 7  2  o 0 31.7   3     ?    ?   189.743  152.773      78.663     152.773      51.5919     -27.2268     
1 1 1 13 7  3  o 0 144.2  10.4  ?    ?   689.508  21.5737      233.195    21.5737      237.566     -158.426     
1 1 1 13 7  4  o 0 -0.7   1.8   ?    ?   99.5076  -13.2736     63.2156    166.726      130.777     166.726      
1 1 1 13 7  5  o 0 79.3   6.1   ?    ?   333.577  -148.598     245.602    -148.598     20.3833     -148.598     
1 1 1 13 7  6  o 0 436.7  30.5  ?    ?   923.898  -51.4869     612.609    -51.4869     7.69677     128.513      
1 1 1 13 7  7  o 0 767.2  53.3  ?    ?   1481.26  -39.9198     647.519    -39.9198     341.513     140.08       
1 1 1 13 7  8  o 0 9.9    2.4   ?    ?   236.494  -128.995     69.3731    51.0054      226.42      51.0054      
1 1 1 13 7  9  o 0 55.7   4.5   ?    ?   208.158  -106.614     185.811    -106.614     48.3248     -106.614     
1 1 1 13 7  10 o 0 463.6  30.3  ?    ?   1044.14  123.95       561.997    123.95       123.961     -56.0501     
1 1 1 13 7  11 o 0 263.3  17.6  ?    ?   489.864  138.083      584.503    138.083      260.99      138.083      
1 1 1 13 7  12 o 0 342.3  22.6  ?    ?   770.028  56.0796      545.797    56.0796      39.9821     56.0796      
1 1 1 13 7  13 o 0 31.8   3.9   ?    ?   418.362  -159.605     1.2346     20.3952      274.555     20.3952      
1 1 1 13 7  14 o 0 161.4  12.3  ?    ?   840.822  117.89       150.336    117.89       356.237     -62.11       
1 1 1 13 7  15 o 0 55.2   5.5   ?    ?   333.465  99.6215      132.554    99.6215      67.1962     -80.3785     
1 1 1 13 7  16 o 0 1255.7 81.6  ?    ?   1338.65  -2.68065     1048.68    -2.68065     249.168     -2.68065     
1 1 1 13 7  17 o 0 131.8  11.6  ?    ?   351.262  -79.0096     339.029    -79.0096     130.551     -79.0096     
1 1 1 13 7  18 o 0 418.8  35.5  ?    ?   868.467  67.0182      530.793    67.0182      18.7494     67.0182      
1 1 1 13 7  19 o 0 228.4  20.4  ?    ?   743.862  123.202      323.087    123.202      111.489     -56.7978     
1 1 1 13 7  21 o 0 216.1  19    ?    ?   719.504  -14.8097     307.85     -14.8097     110.878     165.19       
1 1 1 13 7  22 o 0 113.8  12.7  ?    ?   380.627  -75.4745     276.067    -75.4745     56.4048     -75.4745     
1 1 1 13 7  23 o 0 16.5   8.6   ?    ?   271.112  -66.3723     22.7839    113.628      189.358     113.628      
1 1 1 13 7  24 o 0 137.6  13    ?    ?   553.624  -113.04      254.352    -113.04      82.5935     66.9596      
1 1 1 13 7  25 o 0 23.7   7.7   ?    ?   164.022  -92.703      60.1095    -92.7029     36.7293     87.2971      
1 1 1 13 7  26 o 0 83.2   10.2  ?    ?   266.198  122.686      263.84     122.686      108.343     122.686      
1 1 1 13 7  27 o 0 183.2  16    ?    ?   618.758  -92.5011     332.325    -92.5011     5.97079     87.4989      
1 1 1 13 7  28 o 0 119.4  13.7  ?    ?   558.385  -4.74871     238.607    -4.74871     52.4343     175.251      
1 1 1 13 7  29 o 0 225.3  21.6  ?    ?   620.056  116.864      404.266    116.864      85.121      116.864      
1 1 1 13 7  30 o 0 21.1   9.4   ?    ?   249.645  -121.863     49.1506    -121.863     75.8927     58.1367      
1 1 1 13 7  31 o 0 31.5   10    ?    ?   170.812  113.758      122.358    113.758      34.089      113.758      
1 1 1 13 7  32 o 0 26.7   8.6   ?    ?   218.687  -55.8666     115.32     -55.8666     25.6737     124.133      
1 1 1 13 7  33 o 0 33.8   10.5  ?    ?   99.6288  41.1038      178.186    41.1038      114.789     41.1038      
1 1 1 13 7  34 o 0 4.9    9.4   ?    ?   73.6607  52.4413      21.4592    52.4413      23.6657     -127.559     
1 1 1 13 7  35 f 1 20.5   9.4   ?    ?   164.167  -163.433     100.597    -163.433     4.67275     -163.433     
1 1 1 13 7  36 o 0 49.6   8.4   ?    ?   320.305  167.103      185.069    167.103      2.75906     167.103      
1 1 1 13 7  37 f 1 140.4  15.9  ?    ?   172.096  147.341      509.915    147.341      419.37      147.341      
1 1 1 13 7  38 o 0 6.8    9.8   ?    ?   199.104  16.9261      34.1676    16.9261      59.436      -163.074     
1 1 1 13 8  0  o 0 0.6    2.5   ?    ?   7.27203  90           0.156624   90           4.84278     -90          
1 1 1 13 8  1  o 0 9.8    1.9   ?    ?   97.5192  90.1927      25.8411    -89.8073     92.5803     -89.8073     
1 1 1 13 8  2  o 0 578.8  37.8  ?    ?   749.869  38.5477      926.032    38.5477      415.345     38.5477      
1 1 1 13 8  3  o 0 163.3  11.7  ?    ?   572.756  -33.7115     350.754    -33.7115     37.3196     146.288      
1 1 1 13 8  4  o 0 28.1   2.9   ?    ?   100.756  -33.4175     46.1871    -33.4175     21.7218     146.582      
1 1 1 13 8  5  o 0 52.6   4.4   ?    ?   333.393  38.7477      142.633    38.7477      80.8779     -141.252     
1 1 1 13 8  6  o 0 797.8  55.4  ?    ?   1003.98  -179.731     990.97     -179.731     321.481     -179.731     
1 1 1 13 8  7  o 0 62.1   4.8   ?    ?   319.296  -106.358     185.263    -106.358     26.5237     73.6424      
1 1 1 13 8  8  o 0 6.6    2.3   ?    ?   66.5846  -12.7527     26.1117    167.247      70.0433     167.247      
1 1 1 13 8  9  f 1 64     5     ?    ?   329.427  103.201      186.769    103.201      28.8856     -76.7993     
1 1 1 13 8  10 f 1 349.6  24.6  ?    ?   793.643  156.196      545.861    156.196      23.5371     156.196      
1 1 1 13 8  11 o 0 147.1  10.3  ?    ?   546.071  10.2116      309.869    10.2116      48.5539     -169.788     
1 1 1 13 8  12 o 0 86.4   7.2   ?    ?   606.933  -2.97097     107.871    -2.97097     288.388     177.029      
1 1 1 13 8  13 o 0 23.5   3.7   ?    ?   369.08   -119.821     23.4031    60.1795      245.657     60.1795      
1 1 1 13 8  14 o 0 345.9  23    ?    ?   590.093  -179.811     602.537    -179.811     249.161     -179.811     
1 1 1 13 8  15 o 0 104.7  8.4   ?    ?   464.547  29.6197      221.937    29.6197      55.5084     -150.38      
1 1 1 13 8  16 o 0 78.4   7.3   ?    ?   344.906  127.982      202.648    127.982      2.11283     -52.0182     
1 1 1 13 8  17 o 0 10     4.7   ?    ?   168.532  100.259      43.5578    -79.7412     142.984     -79.7412     
1 1 1 13 8  18 o 0 1.5    6.6   ?    ?   233.134  -77.6695     95.224     102.33       231.561     102.33       
1 1 1 13 8  19 o 0 577    44.2  ?    ?   1149.91  161.109      548.375    161.109      119.399     -18.8915     
1 1 1 13 8  20 o 0 457.7  35.9  ?    ?   939.274  -146.258     529.574    -146.258     11.8483     33.7419      
1 1 1 13 8  21 o 0 43.9   8.2   ?    ?   197.479  -57.4497     125.124    -57.4497     10.8824     -57.4497     
1 1 1 13 8  22 o 0 37.3   8.7   ?    ?   208.345  -112.529     102.017    -112.529     25.0592     67.4707      
1 1 1 13 8  23 o 0 706.3  54.4  ?    ?   894.468  2.23332      832.291    2.23332      285.975     2.23332      
1 1 1 13 8  24 o 0 64.8   8.9   ?    ?   362.566  137.47       159.404    137.471      59.9575     -42.5295     
1 1 1 13 8  25 o 0 197.6  16.8  ?    ?   516.388  -179.654     400.146    -179.654     97.0588     -179.654     
1 1 1 13 8  26 o 0 18.2   7.7   ?    ?   166.49   19.2967      36.8282    19.2967      54.6939     -160.703     
1 1 1 13 8  27 o 0 116.7  12.2  ?    ?   363.575  76.7313      316.982    76.7313      119.354     76.7313      
1 1 1 13 8  28 o 0 81.6   11.5  ?    ?   89.9446  -122.613     264.36     -122.613     217.749     -122.613     
1 1 1 13 8  29 o 0 58.5   10.8  ?    ?   285.404  -136.85      197.449    -136.85      53.4134     -136.85      
1 1 1 13 8  30 o 0 23.2   7.9   ?    ?   224.076  -115.579     69.6472    -115.579     41.9556     64.4215      
1 1 1 13 8  31 o 0 65.1   10.2  ?    ?   323.743  -27.6324     240.932    -27.6324     34.47       -27.6324     
1 1 1 13 8  32 o 0 70.5   12.3  ?    ?   382.516  6.52146      220.648    6.52146      24.6094     -173.479     
1 1 1 13 8  33 o 0 43.2   9     ?    ?   186.662  -85.5753     217.691    -85.5753     99.5616     -85.5753     
1 1 1 13 8  34 o 0 9.8    7.7   ?    ?   111.324  -172.471     39.8494    -172.471     27.9808     7.52891      
1 1 1 13 8  35 o 0 10.2   10.5  ?    ?   62.7193  -145.839     42.3324    -145.839     5.78565     -145.839     
1 1 1 13 8  36 o 0 1.3    10    ?    ?   79.5797  -71.1025     22.0778    -71.1025     22.9794     108.897      
1 1 1 13 8  37 o 0 35.3   9.5   ?    ?   260.058  93.6195      151.082    93.6195      14.6141     93.6195      
1 1 1 13 8  38 o 0 -0.9   8.6   ?    ?   168.153  -166.338     13.2409    -166.338     65.4091     13.6621      
1 1 1 13 9  0  o 0 13.3   3     ?    ?   70.1968  90           19.3041    90           28.5383     -90          
1 1 1 13 9  1  o 0 366.9  24    ?    ?   891.265  108.299      536.172    108.299      68.7442     -71.7007     
1 1 1 13 9  2  f 1 1610   104.1 ?    ?   1571.74  -23.7007     1334.08    -23.7007     274.852     -23.7007     
1 1 1 13 9  3  o 0 1239.6 85.7  ?    ?   1490.54  -89.5461     1089.23    -89.5461     86.9391     -89.5461     
1 1 1 13 9  4  o 0 86.3   6.5   ?    ?   515.728  172.401      170.587    172.401      174.495     -7.59938     
1 1 1 13 9  5  o 0 41.7   3.8   ?    ?   274.587  -94.8696     113.817    -94.8696     68.9871     85.1304      
1 1 1 13 9  6  o 0 39.3   4.3   ?    ?   297.279  144.823      94.3921    144.823      102.511     -35.1767     
1 1 1 13 9  7  o 0 514.4  33.6  ?    ?   953.816  127.83       688.806    127.83       60.2774     127.83       
1 1 1 13 9  8  o 0 181.4  12.2  ?    ?   621.382  41.0248      346.684    41.0248      65.0199     -138.975     
1 1 1 13 9  9  o 0 212.7  15.3  ?    ?   534.135  41.4246      461.812    41.4246      109.729     41.4246      
1 1 1 13 9  10 o 0 307.5  21.7  ?    ?   792.181  -81.3792     474.821    -81.3792     44.6703     98.6208      
1 1 1 13 9  11 o 0 40.3   4.1   ?    ?   356.293  -35.293      70.3282    -35.293      162.107     144.707      
1 1 1 13 9  12 o 0 274.2  19.6  ?    ?   560.94   -127.562     512.491    -127.562     174.925     -127.562     
1 1 1 13 9  13 f 1 21.1   3.9   ?    ?   260.226  8.28572      0.105182   8.28572      155.253     -171.714     
1 1 1 13 9  14 o 0 8.8    3.4   ?    ?   306.497  -24.2127     101.226    155.787      284.222     155.787      
1 1 1 13 9  15 o 0 1411   105.6 ?    ?   1515.18  64.6222      1042.21    64.6222      142.757     64.6222      
1 1 1 13 9  16 o 0 41.7   6.9   ?    ?   150.669  -158.33      101.245    -158.33      12.3394     -158.33      
1 1 1 13 9  17 f 1 23.1   5.3   ?    ?   160.492  17.6276      28.6242    17.6276      65.0389     -162.372     
1 1 1 13 9  18 o 0 30.7   6     ?    ?   44.2256  -63.2528     24.8594    -63.2528     0.845912    116.747      
1 1 1 13 9  19 o 0 15.5   5.3   ?    ?   218.347  42.8422      22.0021    -137.158     148.025     -137.158     
1 1 1 13 9  20 o 0 493.2  35.8  ?    ?   629.752  36.9347      733.876    36.9347      368.939     36.9347      
1 1 1 13 9  21 o 0 74.7   10.2  ?    ?   516.906  152.67       112.977    152.67       202.995     -27.3303     
1 1 1 13 9  22 o 0 50.5   9.9   ?    ?   239.067  146.519      158.851    146.519      12.4393     146.519      
1 1 1 13 9  23 o 0 486.6  38.7  ?    ?   912.386  94.5451      584.215    94.5451      30.394      94.5451      
1 1 1 13 9  24 o 0 304.5  23.5  ?    ?   525.207  -131.017     572.286    -131.017     262.837     -131.017     
1 1 1 13 9  25 o 0 107.4  11.6  ?    ?   385.814  -59.5139     274.642    -59.5139     49.5902     -59.5139     
1 1 1 13 9  26 o 0 9.5    7.4   ?    ?   226.312  -56.806      27.079     123.194      150.721     123.194      
1 1 1 13 9  27 o 0 25.3   8.8   ?    ?   160.296  -93.0013     83.6511    -93.0013     0.104674    -93.0013     
1 1 1 13 9  28 o 0 85.6   12    ?    ?   368.999  56.6361      238.966    56.6361      48.9094     56.6361      
1 1 1 13 9  29 o 0 39.7   9.6   ?    ?   213.292  -83.8624     152.213    -83.8624     45.2246     -83.8624     
1 1 1 13 9  30 o 0 -4     8     ?    ?   225.522  69.2569      59.8109    -110.743     176.61      -110.743     
1 1 1 13 9  31 o 0 -5.8   7.7   ?    ?   173.69   90.9041      53.2486    -89.0959     165.567     -89.0959     
1 1 1 13 9  32 o 0 150.1  17.1  ?    ?   383.497  -116.693     441.021    -116.693     196.6       -116.693     
1 1 1 13 9  33 o 0 44.8   7.7   ?    ?   245.491  -179.58      198.528    -179.58      44.0861     -179.58      
1 1 1 13 9  34 o 0 14.9   9.7   ?    ?   180.052  39.4528      56.7774    39.4528      52.2862     -140.547     
1 1 1 13 9  35 o 0 -0.7   9.7   ?    ?   27.8645  -50.1959     5.09459    -50.1959     11.0479     129.804      
1 1 1 13 9  36 f 1 7.2    9.9   ?    ?   122.647  31.7917      38.6797    31.7917      30.1851     -148.208     
1 1 1 13 9  37 f 1 -5.3   9.9   ?    ?   122.383  -131.901     22.797     -131.901     35.0503     48.0994      
1 1 1 13 10 0  o 0 12.3   3.3   ?    ?   236.735  -90          53.1936    -90          106.747     90           
1 1 1 13 10 1  o 0 78     5.7   ?    ?   207.461  50.7779      275.088    50.7779      135.453     50.7779      
1 1 1 13 10 2  o 0 1518.6 98.3  ?    ?   1546.11  -157.891     1274.9     -157.891     238.564     -157.891     
1 1 1 13 10 3  o 0 105    7.9   ?    ?   553.156  -169.761     205.682    -169.761     163.457     10.2392      
1 1 1 13 10 4  o 0 23.4   2.9   ?    ?   282.211  -89.4614     11.3626    -89.4614     176.096     90.5386      
1 1 1 13 10 5  o 0 178.8  12.9  ?    ?   645.495  -61.7546     333.938    -61.7546     92.7923     118.245      
1 1 1 13 10 6  o 0 393.2  27.7  ?    ?   1019.85  -75.8496     470.765    -75.8496     207.313     104.15       
1 1 1 13 10 7  o 0 815.4  57    ?    ?   1098.26  168.948      925.925    168.948      199.302     168.948      
1 1 1 13 10 8  o 0 160.4  12.7  ?    ?   610.683  52.8971      303.687    52.8971      98.3427     -127.103     
1 1 1 13 10 9  o 0 18.2   3     ?    ?   171.053  39.3023      1.02717    39.3023      111.018     -140.698     
1 1 1 13 10 10 o 0 155.8  10.8  ?    ?   317.405  133.003      414.848    133.003      223.019     133.003      
1 1 1 13 10 11 o 0 196.4  13.5  ?    ?   629.863  -116.32      339.001    -116.32      39.7119     63.6805      
1 1 1 13 10 12 o 0 27.5   3.7   ?    ?   316.319  15.6639      18.5985    15.6639      171.175     -164.336     
1 1 1 13 10 13 o 0 18.6   4.1   ?    ?   117.595  88.2862      6.7324     88.2862      63.4385     -91.7138     
1 1 1 13 10 14 o 0 1073.5 88.1  ?    ?   1295.42  14.8701      922.306    14.8701      153.595     14.8701      
1 1 1 13 10 15 o 0 1467.3 109.8 ?    ?   1460.12  -165.521     1102.41    -165.521     240.955     -165.521     
1 1 1 13 10 16 o 0 286.6  22.5  ?    ?   802.757  -95.9983     385.31     -95.9983     84.4371     84.0017      
1 1 1 13 10 17 o 0 66.2   7.7   ?    ?   426.035  20.2678      128.141    20.2678      119.585     -159.732     
1 1 1 13 10 18 o 0 11.8   5.5   ?    ?   206.04   -24.8478     41.2424    155.152      160.25      155.152      
1 1 1 13 10 19 o 0 579.5  38.6  ?    ?   1184.31  4.86552      519.706    4.86552      167.364     -175.134     
1 1 1 13 10 20 o 0 430.7  31.7  ?    ?   642.799  45.3112      649.04     45.3112      278.903     45.3112      
1 1 1 13 10 21 o 0 9.7    7.5   ?    ?   60.7743  70.0916      9.21406    -109.908     46.5082     -109.908     
1 1 1 13 10 22 o 0 73.2   10.2  ?    ?   333.539  -53.73       200.626    -53.73       2.33437     126.27       
1 1 1 13 10 23 o 0 76.9   11.6  ?    ?   369.251  4.17583      202.451    4.17583      15.7613     -175.824     
1 1 1 13 10 24 o 0 98.3   11.1  ?    ?   509.386  10.4618      188.758    10.4618      109.431     -169.538     
1 1 1 13 10 25 o 0 112.6  13    ?    ?   474.918  -151.114     256.591    -151.114     3.944       28.8863      
1 1 1 13 10 26 o 0 20.2   7.9   ?    ?   197.934  107.847      43.263     107.847      64.1741     -72.1534     
1 1 1 13 10 27 o 0 102.6  12.6  ?    ?   451.108  -172.203     248.168    -172.203     14.5731     -172.203     
1 1 1 13 10 28 o 0 61.8   10.9  ?    ?   355.765  143.752      179.67     143.752      0.141422    143.752      
1 1 1 13 10 29 o 0 192.5  19    ?    ?   702.477  8.40153      308.436    8.40153      41.6518     -171.598     
1 1 1 13 10 30 o 0 40.2   8.5   ?    ?   258.477  60.1521      171.19     60.1521      6.13039     60.1521      
1 1 1 13 10 31 o 0 37.4   8.8   ?    ?   205.781  177.961      183.653    177.961      51.4371     177.961      
1 1 1 13 10 32 o 0 25.2   8.4   ?    ?   240.554  -80.5082     95.9292    -80.5082     56.7403     99.4918      
1 1 1 13 10 33 o 0 48     9.1   ?    ?   207.433  10.7855      231.941    10.7855      105.092     10.7855      
1 1 1 13 10 34 f 1 5.6    7.9   ?    ?   118.361  158.388      20.3747    158.388      48.722      -21.6119     
1 1 1 13 10 35 o 0 12.1   8.5   ?    ?   134.562  -52.4834     61.1425    -52.4834     15.4447     127.517      
1 1 1 13 10 36 o 0 54.1   9.9   ?    ?   336.762  145.162      196.659    145.162      18.868      145.162      
1 1 1 13 10 37 o 0 61.5   11.8  ?    ?   339.902  170.276      225.705    170.275      65.6262     170.275      
1 1 1 13 11 0  o 0 29.2   4.3   ?    ?   306.155  -90          131.943    -90          75.2469     90           
1 1 1 13 11 1  o 0 602.8  39.2  ?    ?   929.299  -171.729     817.985    -171.729     191.195     -171.729     
1 1 1 13 11 2  o 0 548.4  35.9  ?    ?   1027.5   159.637      684.032    159.637      6.39293     -20.3631     
1 1 1 13 11 3  o 0 467.4  32.7  ?    ?   817.957  41.7         709.54     41.7         162.144     41.7         
1 1 1 13 11 4  o 0 19     2.9   ?    ?   227.343  86.5805      4.74595    -93.4195     156.236     -93.4195     
1 1 1 13 11 5  o 0 111.6  9.3   ?    ?   465.928  68.536       266.675    68.536       42.4076     -111.464     
1 1 1 13 11 6  o 0 1629.1 112.6 ?    ?   1552.18  151.288      1307.57    151.288      282.652     151.288      
1 1 1 13 11 7  o 0 126.7  9     ?    ?   389.939  -37.869      345.231    -37.869      88.9638     -37.869      
1 1 1 13 11 8  o 0 13.1   2.7   ?    ?   136.015  -152.113     18.7744    27.8869      101.27      27.8869      
1 1 1 13 11 9  o 0 113.3  8.2   ?    ?   416.688  -120.82      271.429    -120.82      19.9352     -120.82      
1 1 1 13 11 10 o 0 894.7  62.1  ?    ?   1351.74  71.4544      762.101    71.4544      49.6888     -108.546     
1 1 1 13 11 11 o 0 1164.9 87.5  ?    ?   1393.92  -131.149     947.656    -131.149     112.248     -131.149     
1 1 1 13 11 12 o 0 84.7   7.9   ?    ?   473.742  -101.857     162.272    -101.857     120.172     78.1432      
1 1 1 13 11 13 o 0 83.2   7.1   ?    ?   361.82   -126.11      209.63     -126.11      4.92602     53.8897      
1 1 1 13 11 14 o 0 178.9  13.3  ?    ?   313.111  -86.5985     451.6      -86.5985     266.962     -86.5985     
1 1 1 13 11 15 o 0 55     6.4   ?    ?   429.19   -109.255     89.7836    -109.255     161.293     70.7449      
1 1 1 13 11 16 o 0 171.7  16.3  ?    ?   377.758  143.457      407.06     143.457      187.413     143.457      
1 1 1 13 11 17 o 0 26.8   5.3   ?    ?   216.827  127.832      42.0651    127.832      83.2056     -52.1683     
1 1 1 13 11 18 o 0 44.8   6.7   ?    ?   140.52   154.771      122.373    154.771      40.8037     154.771      
1 1 1 13 11 19 o 0 197.8  14.9  ?    ?   570.355  71.7789      353.379    71.7789      24.6485     71.7789      
1 1 1 13 11 20 o 0 49.1   8.3   ?    ?   221.222  -23.3071     150.232    -23.3071     15.6874     -23.3071     
1 1 1 13 11 21 o 0 56.5   8.5   ?    ?   117.276  -139.116     171.478    -139.116     99.9881     -139.116     
1 1 1 13 11 22 o 0 101.5  11.7  ?    ?   155.555  19.998       323.942    19.998       229.918     19.998       
1 1 1 13 11 23 o 0 244.8  20.6  ?    ?   580.873  -144.288     446.727    -144.288     105.763     -144.288     
1 1 1 13 11 24 o 0 106.2  11.7  ?    ?   331.188  105.723      296.231    105.723      103.669     105.723      
1 1 1 13 11 25 o 0 32.4   8.4   ?    ?   130.182  -37.1944     109.822    -37.1944     38.8909     -37.1944     
1 1 1 13 11 26 f 1 47.5   9.6   ?    ?   236.763  -162.405     173.475    -162.405     50.6512     -162.405     
1 1 1 13 11 27 f 1 165.3  17.8  ?    ?   600.333  -43.0767     308.434    -43.0767     0.488202    -43.0767     
1 1 1 13 11 28 o 0 27.9   9     ?    ?   186.796  -61.6463     101.031    -61.6463     7.41546     -61.6463     
1 1 1 13 11 29 o 0 43     8.8   ?    ?   424.48   112.751      76.4998    112.751      143.294     -67.2487     
1 1 1 13 11 30 o 0 -0.3   8.5   ?    ?   124.317  -98.8445     14.4916    81.1555      94.9202     81.1555      
1 1 1 13 11 31 o 0 1.7    7.4   ?    ?   110.108  -21.5465     7.11223    158.454      77.5263     158.454      
1 1 1 13 11 32 o 0 84.6   10.1  ?    ?   362.195  -57.0839     278.717    -57.0839     50.4212     -57.0839     
1 1 1 13 11 33 o 0 17.9   6.9   ?    ?   91.5461  -66.2081     92.5748    -66.2081     36.9749     -66.2081     
1 1 1 13 11 34 o 0 1.4    8.1   ?    ?   61.2443  -164.913     7.42519    -164.913     28.1762     15.0866      
1 1 1 13 11 35 o 0 -2.6   8.2   ?    ?   47.9554  108.469      3.1092     108.469      23.9999     -71.5308     
1 1 1 13 11 36 f 1 30.9   12.5  ?    ?   227.147  90.9922      121.936    90.9922      3.13114     90.9922      
1 1 1 13 12 0  o 0 271.8  25.4  ?    ?   443.145  90           489.286    90           192.111     90           
1 1 1 13 12 1  o 0 586.3  38.2  ?    ?   957.219  -153.47      773.085    -153.47      133.068     -153.47      
1 1 1 13 12 2  o 0 451.3  31.7  ?    ?   882.992  78.991       643.016    78.991       54.6146     78.991       
1 1 1 13 12 3  o 0 2131.3 158.9 ?    ?   1847.71  36.5669      1444.57    36.5669      217.862     36.5669      
1 1 1 13 12 4  o 0 39.5   4.2   ?    ?   158.681  -68.5588     105.914    -68.5588     0.982837    -68.5588     
1 1 1 13 12 5  o 0 479.7  33.6  ?    ?   727.409  48.5317      714.842    48.5317      270.645     48.5317      
1 1 1 13 12 6  o 0 209.4  14.2  ?    ?   625.037  24.1642      370.135    24.1642      9.88118     -155.836     
1 1 1 13 12 7  o 0 871.3  56.9  ?    ?   887.057  19.1907      1022.18    19.1907      485.297     19.1907      
1 1 1 13 12 8  o 0 94.2   7.5   ?    ?   651.669  -126.613     96.9077    -126.613     295.68      53.387       
1 1 1 13 12 9  o 0 20.6   3.4   ?    ?   198.93   150.652      10.0524    150.652      109.583     -29.3484     
1 1 1 13 12 10 o 0 50.8   5     ?    ?   264.865  -68.4807     137.26     -68.4807     21.2486     111.519      
1 1 1 13 12 11 o 0 1329.4 92.1  ?    ?   1408.34  -106.076     1054.96    -106.076     216.38      -106.076     
1 1 1 13 12 12 o 0 265.4  19.2  ?    ?   560.62   131.622      488.014    131.622      155.937     131.622      
1 1 1 13 12 13 f 1 38     5     ?    ?   302.089  -35.7131     72.8165    -35.7131     104.702     144.287      
1 1 1 13 12 14 o 0 20.2   4.1   ?    ?   237.917  -110.857     3.87209    -110.857     135.212     69.1425      
1 1 1 13 12 15 o 0 1285.9 89.3  ?    ?   1493.09  85.0955      949.974    85.0955      82.231      85.0955      
1 1 1 13 12 16 o 0 203.9  15.7  ?    ?   727.631  116.046      286.605    116.046      133.687     -63.9539     
1 1 1 13 12 17 f 1 33.2   5.8   ?    ?   191.867  -169.446     81.3612    -169.446     29.7342     10.5535      
1 1 1 13 12 18 o 0 -4     5.3   ?    ?   81.4416  123.094      38.6995    -56.9057     85.657      -56.9057     
1 1 1 13 12 19 o 0 69     8.4   ?    ?   177.79   157.77       224.092    157.77       115.883     157.77       
1 1 1 13 12 20 o 0 128.4  13.7  ?    ?   283.015  -84.8142     370.723    -84.8141     198.011     -84.8141     
1 1 1 13 12 21 o 0 100    11    ?    ?   400.313  -82.448      243.829    -82.448      1.49629     -82.448      
1 1 1 13 12 22 o 0 9.1    8.2   ?    ?   80.8584  50.5278      7.53027    -129.472     55.0862     -129.472     
1 1 1 13 12 23 f 1 403.3  33.3  ?    ?   763.292  -93.9539     566.964    -93.9539     123.224     -93.9539     
1 1 1 13 12 24 o 0 141.7  13.6  ?    ?   557.18   102.572      280.9      102.572      23.5795     -77.4284     
1 1 1 13 12 25 o 0 183    17.2  ?    ?   585.591  24.5575      356.293    24.5575      50.668      24.5575      
1 1 1 13 12 26 o 0 56.9   10    ?    ?   346.722  -109.756     163.888    -109.756     15.1449     70.244       
1 1 1 13 12 27 f 1 141.3  15.8  ?    ?   507.672  4.11021      309.458    4.11021      54.5101     4.11021      
1 1 1 13 12 28 o 0 3.6    8.3   ?    ?   114.242  31.7944      6.55014    -148.206     66.0138     -148.206     
1 1 1 13 12 29 o 0 223    19.6  ?    ?   598.121  -163.316     484.872    -163.316     103.318     -163.316     
1 1 1 13 12 30 f 1 -2.6   7.3   ?    ?   40.2863  67.9642      7.86584    -112.036     33.6733     -112.036     
1 1 1 13 12 31 o 0 3.3    8.1   ?    ?   142.283  164.677      3.86227    -15.3227     94.1886     -15.3227     
1 1 1 13 12 32 o 0 78.2   9.4   ?    ?   381.146  165.233      252.527    165.233      19.2219     165.233      
1 1 1 13 12 33 o 0 5.1    6.9   ?    ?   131.442  -74.937      11.1079    -74.937      65.953      105.063      
1 1 1 13 12 34 o 0 29.8   7.5   ?    ?   236.858  -28.6733     138.342    -28.6733     3.20545     -28.6733     
1 1 1 13 12 35 o 0 4.2    8.9   ?    ?   57.1235  163.043      28.6997    163.043      1.55385     -16.9574     
1 1 1 13 12 36 o 0 3.6    8.6   ?    ?   123.945  -82.2347     40.3707    -82.2347     18.2317     97.7653      
1 1 1 13 13 0  o 0 218.9  23.9  ?    ?   855.835  90           402.794    90           124.441     -90          
1 1 1 13 13 1  o 0 9      2.8   ?    ?   92.9067  4.50116      25.6461    -175.499     82.7347     -175.499     
1 1 1 13 13 2  o 0 115.3  9.1   ?    ?   453.343  154.294      262.224    154.294      15.5118     -25.7058     
1 1 1 13 13 3  o 0 633.1  44.1  ?    ?   1285.66  42.496       560.535    42.496       224.472     -137.504     
1 1 1 13 13 4  o 0 62.2   5.7   ?    ?   446.512  -67.4422     108.838    -67.4422     162.801     112.558      
1 1 1 13 13 5  o 0 220.9  15.9  ?    ?   674.301  -18.316      362.271    -18.316      46.3433     161.684      
1 1 1 13 13 6  o 0 1668.3 115.3 ?    ?   1741.16  7.96686      1102.2     7.96686      48.2215     7.96686      
1 1 1 13 13 7  o 0 254.4  18.4  ?    ?   626.234  -158.896     442.744    -158.896     65.301      -158.896     
1 1 1 13 13 8  o 0 59.8   5.2   ?    ?   326.332  -69.5234     151.578    -69.5234     44.2257     110.477      
1 1 1 13 13 9  o 0 41.3   4.5   ?    ?   232.562  15.2462      104.573    15.2462      34.3186     -164.754     
1 1 1 13 13 10 o 0 188.1  13.8  ?    ?   654.104  -175.603     303.912    -175.603     84.8558     4.39739      
1 1 1 13 13 11 o 0 299.9  22.9  ?    ?   915.816  111.5        343.393    111.5        198.209     -68.5004     
1 1 1 13 13 12 o 0 30.3   4.7   ?    ?   373.987  166.893      13.2731    166.893      206.278     -13.1065     
1 1 1 13 13 13 o 0 35.2   4.6   ?    ?   375.944  82.0072      35.3226    82.0072      184.189     -97.9928     
1 1 1 13 13 14 o 0 132.9  10.1  ?    ?   552.916  -50.4984     240.303    -50.4984     80.7269     129.502      
1 1 1 13 13 15 f 1 86     8.3   ?    ?   281.103  -154.256     244.849    -154.256     83.0152     -154.256     
1 1 1 13 13 16 o 0 14.3   5.2   ?    ?   305.681  -148.528     51.6698    31.4722      229.04      31.4722      
1 1 1 13 13 17 o 0 16.5   5.3   ?    ?   108.6    -125.334     5.98715    -125.334     60.5752     54.666       
1 1 1 13 13 18 o 0 91.9   8.7   ?    ?   322.26   -79.5466     264.122    -79.5466     65.9341     -79.5466     
1 1 1 13 13 19 o 0 32     7     ?    ?   173.598  83.6603      88.6163    83.6603      17.3728     -96.3397     
1 1 1 13 13 20 o 0 63.9   8.8   ?    ?   490.562  -166.538     91.0507    -166.538     206.166     13.462       
1 1 1 13 13 21 f 1 109.6  13.9  ?    ?   521.057  -47.266      212.261    -47.266      93.7851     132.734      
1 1 1 13 13 22 o 0 63.4   11    ?    ?   162.096  169.138      222.729    169.138      128.093     169.138      
1 1 1 13 13 23 o 0 300    24.2  ?    ?   792.501  9.65152      432.88     9.65152      1.11979     -170.348     
1 1 1 13 13 24 o 0 86.3   9.9   ?    ?   259.121  154.261      282.254    154.261      141.711     154.261      
1 1 1 13 13 25 o 0 45.1   9.2   ?    ?   408.032  -148.251     96.3161    -148.251     115.037     31.7494      
1 1 1 13 13 26 o 0 -6.1   8.5   ?    ?   121.569  47.8644      30.7714    -132.136     92.2047     -132.136     
1 1 1 13 13 27 f 1 40.4   9.5   ?    ?   256.338  -149.415     141.381    -149.415     13.6318     -149.415     
1 1 1 13 13 28 o 0 119.1  13    ?    ?   393.278  -128.172     373.619    -128.172     121.525     -128.172     
1 1 1 13 13 29 o 0 39.1   8.4   ?    ?   262.397  50.4227      166.148    50.4227      3.29556     -129.577     
1 1 1 13 13 30 f 1 16.6   8.1   ?    ?   76.3215  107.967      69.8094    107.967      21.1887     107.967      
1 1 1 13 13 31 o 0 4.4    6.5   ?    ?   55.778   154.245      7.29614    154.245      27.0759     -25.7548     
1 1 1 13 13 32 o 0 40.9   7.5   ?    ?   274.432  162.907      174.376    162.907      12.2952     162.907      
1 1 1 13 13 33 f 1 6.9    7.1   ?    ?   144.293  -115.429     25.9084    -115.429     56.8665     64.5712      
1 1 1 13 13 34 o 0 28.4   7.3   ?    ?   164.093  61.3         169.574    61.3         81.9061     61.3         
1 1 1 13 13 35 o 0 2.9    8.3   ?    ?   114.566  -121.947     39.7676    -121.947     14.913      58.0528      
1 1 1 13 14 0  o 0 104.4  10.9  ?    ?   140.907  -90          211.736    -90          125.514     -90          
1 1 1 13 14 1  o 0 283.4  20.1  ?    ?   657.904  15.161       478.423    15.161       76.7169     15.161       
1 1 1 13 14 2  o 0 1429.2 107   ?    ?   1778.78  -22.0224     923.559    -22.0224     159.701     157.978      
1 1 1 13 14 3  f 1 891.1  61.9  ?    ?   1435.88  -143.005     714.251    -143.005     155.321     36.9949      
1 1 1 13 14 4  o 0 3.5    3.4   ?    ?   128.337  111.195      58.7752    -68.8052     136.436     -68.8052     
1 1 1 13 14 5  o 0 62.3   6.4   ?    ?   387.467  176.798      135.327    176.798      98.2926     -3.20175     
1 1 1 13 14 6  o 0 37.5   4.2   ?    ?   233.075  -23.2329     88.511     -23.2329     51.4736     156.767      
1 1 1 13 14 7  o 0 221.4  17.5  ?    ?   428.893  -32.9164     485.989    -32.9164     229.455     -32.9164     
1 1 1 13 14 8  o 0 109    8.6   ?    ?   575.183  35.7903      174.733    35.7903      167.814     -144.21      
1 1 1 13 14 9  o 0 8      3.5   ?    ?   191.127  -49.3677     62.3863    130.632      175.696     130.632      
1 1 1 13 14 10 o 0 519.3  39.3  ?    ?   997.293  -4.79101     579.96     -4.79101     7.2206      175.209      
1 1 1 13 14 11 o 0 90.5   8.1   ?    ?   389.643  18.1088      218.287    18.1088      9.9939      -161.891     
1 1 1 13 14 12 f 1 51.7   5.5   ?    ?   447.595  13.807       69.5871    13.807       190.624     -166.193     
1 1 1 13 14 13 o 0 30.9   4.7   ?    ?   250.472  -176.367     56.5011    -176.367     88.7012     3.63315      
1 1 1 13 14 14 o 0 187    14.6  ?    ?   776.267  -0.294072    225.422    -0.294072    227.211     179.706      
1 1 1 13 14 15 o 0 196.1  15.4  ?    ?   668.795  105.112      299.413    105.112      88.2449     -74.8876     
1 1 1 13 14 16 o 0 211.9  16.5  ?    ?   699.561  160.733      327.974    160.733      100.461     -19.2666     
1 1 1 13 14 17 f 1 15.8   6     ?    ?   235.046  -100.698     14.6501    79.3022      158.761     79.3022      
1 1 1 13 14 18 o 0 359.9  26.8  ?    ?   721.06   -176.628     540.543    -176.628     100.38      -176.628     
1 1 1 13 14 19 o 0 372.4  30.2  ?    ?   723.381  98.0674      550.318    98.0674      111.968     98.0674      
1 1 1 13 14 20 o 0 295.8  24.9  ?    ?   733.413  27.0051      442.845    27.0051      10.7261     27.0051      
1 1 1 13 14 21 o 0 11.7   7.2   ?    ?   162.503  137.625      11.508     -42.3753     106.47      -42.3753     
1 1 1 13 14 22 o 0 15.3   9.3   ?    ?   123.664  -142.505     22.4668    -142.505     45.3475     37.4949      
1 1 1 13 14 23 o 0 81.5   10.9  ?    ?   338.369  149.885      237.096    149.885      53.2381     149.885      
1 1 1 13 14 24 o 0 166.7  16.3  ?    ?   468.474  163.23       379.604    163.23       136.389     163.23       
1 1 1 13 14 25 o 0 73.1   10.8  ?    ?   355.022  113.692      215.757    113.692      35.8507     113.692      
1 1 1 13 14 26 o 0 42.5   8.5   ?    ?   251.558  58.81        152.695    58.81        26.5889     58.81        
1 1 1 13 14 27 o 0 80.2   9.4   ?    ?   247.677  81.8751      338.081    81.8751      178.705     81.8751      
1 1 1 13 14 28 o 0 -5     7.5   ?    ?   63.3495  -168.937     15.8242    11.0631      56.9137     11.0631      
1 1 1 13 14 29 o 0 52.9   9.2   ?    ?   353.094  87.627       175.442    87.627       51.2105     -92.373      
1 1 1 13 14 30 o 0 11.6   7.4   ?    ?   94.9446  161.061      42.9325    161.061      17.2126     -18.9389     
1 1 1 13 14 31 o 0 23.1   7.7   ?    ?   156.502  -107.853     122.988    -107.853     27.3375     -107.853     
1 1 1 13 14 32 f 1 109    11    ?    ?   331.898  25.0762      370.287    25.0762      176.378     25.0762      
1 1 1 13 14 33 o 0 21.7   6.9   ?    ?   144.462  49.3551      125.874    49.3551      43.4725     49.3551      
1 1 1 13 14 34 o 0 5.4    7     ?    ?   209.83   166.563      1.01777    166.563      110.16      -13.4369     
1 1 1 13 14 35 o 0 -5.2   8.4   ?    ?   117.97   54.6446      13.4765    54.6446      42.3633     -125.355     
1 1 1 13 15 0  o 0 179.1  17.6  ?    ?   632.756  -90          357.604    -90          25.6435     90           
1 1 1 13 15 1  o 0 33.4   4.1   ?    ?   311.788  106.881      50.0094    106.881      138.497     -73.1194     
1 1 1 13 15 2  o 0 612.3  46.3  ?    ?   1000.64  -4.41871     693.701    -4.41871     90.0783     -4.41871     
1 1 1 13 15 3  o 0 1131.2 73.4  ?    ?   1391.66  -103.969     929.642    -103.969     92.3765     -103.969     
1 1 1 13 15 4  o 0 21.7   4.1   ?    ?   122.533  109.91       19.0568    109.91       54.4399     -70.0901     
1 1 1 13 15 5  o 0 120.9  9.5   ?    ?   515.126  -119.329     236.585    -119.329     71.3571     60.6707      
1 1 1 13 15 6  o 0 500.8  35.2  ?    ?   591.111  -155.026     792.523    -155.026     440.445     -155.026     
1 1 1 13 15 7  o 0 373.9  28.6  ?    ?   798.149  20.2155      517.696    20.2155      45.1826     20.2155      
1 1 1 13 15 8  o 0 -6.9   3.5   ?    ?   53.9495  -119.887     29.604     60.1131      61.41       60.1131      
1 1 1 13 15 9  o 0 24.8   4.1   ?    ?   170.88   -154.927     36.7544    -154.927     63.5448     25.073       
1 1 1 13 15 10 o 0 355    27.3  ?    ?   711.12   -119.076     533.677    -119.076     118.213     -119.076     
1 1 1 13 15 11 o 0 228.5  16.1  ?    ?   742.08   -48.3429     323.838    -48.3429     107.602     131.657      
1 1 1 13 15 12 o 0 173    12.7  ?    ?   424.149  -19.6604     387.813    -19.6604     139.648     -19.6604     
1 1 1 13 15 13 o 0 8.7    3.9   ?    ?   142.535  -96.3117     36.7854    83.6883      119.733     83.6883      
1 1 1 13 15 14 o 0 169.5  13.6  ?    ?   558.599  -178.705     327.401    -178.705     16.2626     1.29456      
1 1 1 13 15 15 o 0 195    15.5  ?    ?   438.333  -41.1724     440.638    -41.1724     172.571     -41.1724     
1 1 1 13 15 16 o 0 584.2  41.7  ?    ?   1100.99  31.8586      590.388    31.8586      85.6147     -148.141     
1 1 1 13 15 17 o 0 28.3   5.7   ?    ?   441.832  62.377       24.8047    -117.623     294.291     -117.623     
1 1 1 13 15 18 o 0 173.6  16.1  ?    ?   501.707  -3.883       366.347    -3.883       68.596      -3.883       
1 1 1 13 15 19 o 0 109.6  11.2  ?    ?   526.547  0.464763     209.849    0.464763     100.334     -179.535     
1 1 1 13 15 20 o 0 130.7  14    ?    ?   676.353  48.2902      174.789    48.2902      220.531     -131.71      
1 1 1 13 15 21 o 0 48.8   8.3   ?    ?   213.027  93.8922      179.478    93.8922      62.5897     93.8922      
1 1 1 13 15 22 o 0 1.2    8.9   ?    ?   87.2342  -5.47575     13.819     174.524      59.5954     174.524      
1 1 1 13 15 23 o 0 201.3  20.5  ?    ?   634.918  150.958      361.384    150.958      31.2785     150.958      
1 1 1 13 15 24 o 0 103.2  11.8  ?    ?   540.087  13.5694      212.202    13.5694      62.0104     -166.431     
1 1 1 13 15 25 o 0 25.6   7.8   ?    ?   238.472  3.92077      83.0701    3.92077      36.7643     -176.079     
1 1 1 13 15 26 o 0 21.3   8.1   ?    ?   140.948  179.813      94.8551    179.813      3.89249     179.813      
1 1 1 13 15 27 o 0 84.6   11.3  ?    ?   433.388  -43.5993     243.93     -43.5993     38.145      136.401      
1 1 1 13 15 28 o 0 375.1  28.8  ?    ?   848.914  25.1224      566.21     25.1224      20.2968     25.1224      
1 1 1 13 15 29 o 0 2.3    6.4   ?    ?   82.1306  168.449      5.96772    -11.5509     58.2347     -11.5509     
1 1 1 13 15 30 o 0 4.4    6.6   ?    ?   96.2351  -175.559     7.46772    -175.559     51.6547     4.44103      
1 1 1 13 15 31 o 0 5.5    7.7   ?    ?   64.2812  -66.1832     18.9005    -66.1832     18.971      113.817      
1 1 1 13 15 32 o 0 51.2   9.4   ?    ?   304.722  -128.001     198.7      -128.001     23.7662     -128.001     
1 1 1 13 15 33 o 0 5.1    6.3   ?    ?   40.2166  66.1449      18.0891    66.1449      3.37064     -113.855     
1 1 1 13 15 34 o 0 -1.4   7.4   ?    ?   74.5728  -23.2689     20.555     -23.2689     15.0172     156.731      
1 1 1 13 16 0  o 0 32.5   6.3   ?    ?   96.2596  90           56.2443    90           1.31158     -90          
1 1 1 13 16 1  o 0 56     6.1   ?    ?   191.198  105.83       168.986    105.83       54.8263     105.83       
1 1 1 13 16 2  o 0 519.9  36.8  ?    ?   1204.78  158.443      468.036    158.443      249.948     -21.5569     
1 1 1 13 16 3  o 0 65.4   6.8   ?    ?   322.166  -59.0665     173.986    -59.0665     17.5594     120.934      
1 1 1 13 16 4  o 0 6.8    3.9   ?    ?   86.4751  125.115      29.5209    -54.8851     80.7949     -54.8851     
1 1 1 13 16 5  o 0 18.6   3.8   ?    ?   214.962  135.27       0.322392   -44.7305     127.387     -44.7305     
1 1 1 13 16 6  o 0 446.9  31.7  ?    ?   808.623  -126.522     603.346    -126.522     126.994     -126.522     
1 1 1 13 16 7  o 0 218.9  17.2  ?    ?   575.457  -76.3959     400.49     -76.3959     62.7515     -76.3959     
1 1 1 13 16 8  o 0 232.2  16.9  ?    ?   608.302  -170.856     404.559    -170.856     48.9683     -170.856     
1 1 1 13 16 9  o 0 40.6   5.1   ?    ?   321.322  -104.421     79.8465    -104.421     107.185     75.5788      
1 1 1 13 16 10 o 0 958.3  62.5  ?    ?   1615.88  -172.725     622.939    -172.725     324.151     7.27543      
1 1 1 13 16 11 o 0 349.5  23.8  ?    ?   636.512  94.9678      557.856    94.9678      186.578     94.9678      
1 1 1 13 16 12 o 0 155.3  11.7  ?    ?   532.181  -25.3995     313.273    -25.3995     15.0932     154.601      
1 1 1 13 16 13 o 0 50.2   6.6   ?    ?   239.972  -43.9263     153.038    -43.9263     5.7646      -43.9263     
1 1 1 13 16 14 o 0 405.7  31.6  ?    ?   691.069  49.6989      624.621    49.6989      198.553     49.6989      
1 1 1 13 16 15 o 0 123.9  12.2  ?    ?   324.169  -98.9416     344.295    -98.9416     145.629     -98.9416     
1 1 1 13 16 16 o 0 195.3  15.9  ?    ?   752.247  -138.467     259.126    -138.467     198.973     41.533       
1 1 1 13 16 17 o 0 103.6  9.2   ?    ?   419.79   36.5024      253.128    36.5024      4.3029      36.5024      
1 1 1 13 16 18 o 0 117.1  13    ?    ?   170.597  -106.531     378.511    -106.531     278.106     -106.531     
1 1 1 13 16 19 o 0 268.9  21.3  ?    ?   992.007  -54.5828     283.245    -54.5828     265.295     125.417      
1 1 1 13 16 20 o 0 699.6  54.5  ?    ?   925.72   -120.702     812.468    -120.702     304.619     -120.702     
1 1 1 13 16 21 o 0 21.4   8.6   ?    ?   87.0882  -115.61      50.6298    -115.61      4.92038     -115.61      
1 1 1 13 16 22 o 0 31     9.1   ?    ?   163.541  79.1513      115.264    79.1514      30.1832     79.1514      
1 1 1 13 16 23 o 0 84.4   12.4  ?    ?   262.086  -25.5217     284.522    -25.5217     151.315     -25.5217     
1 1 1 13 16 24 o 0 51     8.7   ?    ?   239.549  -47.6363     188.603    -47.6363     68.0442     -47.6363     
1 1 1 13 16 25 f 1 51.2   8.8   ?    ?   327.349  -82.0362     188.371    -82.0362     22.7694     97.9638      
1 1 1 13 16 26 o 0 -2.5   6.9   ?    ?   69.4553  -163.949     16.1384    16.0506      61.4579     16.0506      
1 1 1 13 16 27 o 0 54.5   8.3   ?    ?   311.907  -8.96193     207.262    -8.96193     6.0724      -8.96193     
1 1 1 13 16 28 o 0 43.2   8.8   ?    ?   256.428  -118.865     186.602    -118.865     22.8275     -118.865     
1 1 1 13 16 29 o 0 104.5  10.9  ?    ?   436.949  -101.173     301.274    -101.173     31.7157     -101.173     
1 1 1 13 16 30 o 0 2.1    6.4   ?    ?   49.6211  39.6558      2.65447    39.6558      26.7187     -140.344     
1 1 1 13 16 31 o 0 9.4    6.4   ?    ?   83.0237  -87.8039     44.7422    -87.8039     3.17465     92.1961      
1 1 1 13 16 32 o 0 56.3   11.2  ?    ?   398.871  -94.64       173.828    -94.64       40.2829     85.36        
1 1 1 13 16 33 o 0 47.3   10.7  ?    ?   414.422  160.117      146.12     160.117      52.8699     -19.8833     
1 1 1 13 17 0  f 1 21.5   6     ?    ?   457.512  90           105.992    90           163.804     -90          
1 1 1 13 17 1  f 1 34.2   5.6   ?    ?   272.481  -51.8427     68.0146    -51.8427     92.4984     128.157      
1 1 1 13 17 2  o 0 158.7  14.3  ?    ?   400.479  -98.9413     376.159    -98.9413     140.005     -98.9413     
1 1 1 13 17 3  o 0 70.2   7.9   ?    ?   378.543  111.93       164.31     111.93       58.4585     -68.07       
1 1 1 13 17 4  f 1 20.9   4.7   ?    ?   334.434  -164.853     21.2423    15.1465      217.069     15.1465      
1 1 1 13 17 5  o 0 107.2  8.9   ?    ?   407.73   75.7642      253.695    75.7642      15.0088     75.7642      
1 1 1 13 17 6  o 0 33.9   4.9   ?    ?   238.163  -119.793     80.1056    -119.793     60.4756     60.2069      
1 1 1 13 17 7  o 0 222.9  16.4  ?    ?   524.326  149.98       429.845    149.98       121.434     149.98       
1 1 1 13 17 8  o 0 18.5   4.2   ?    ?   23.287   2.51099      4.06656    2.51099      9.57857     -177.489     
1 1 1 13 17 9  o 0 12.9   4.3   ?    ?   77.0258  -80.4849     6.38438    99.5151      51.3317     99.5151      
1 1 1 13 17 10 o 0 316.2  21.6  ?    ?   591.312  96.6562      567.136    96.6562      201.898     96.6562      
1 1 1 13 17 11 o 0 1205   84.2  ?    ?   1346.63  119.705      997.411    119.705      161.015     119.705      
1 1 1 13 17 12 o 0 67.7   7.6   ?    ?   292.122  -16.8056     204.732    -16.8056     24.2068     -16.8056     
1 1 1 13 17 13 o 0 2.1    4.6   ?    ?   116.179  -21.6679     50.3742    158.332      121.787     158.332      
1 1 1 13 17 14 o 0 8.3    4.9   ?    ?   47.9994  -77.5205     11.2775    102.479      40.6147     102.479      
1 1 1 13 17 15 o 0 203    17.7  ?    ?   676.656  -163.369     326.334    -163.369     76.4841     16.6313      
1 1 1 13 17 16 o 0 468.4  34.1  ?    ?   688.876  -129.739     699.761    -129.739     292.274     -129.739     
1 1 1 13 17 17 o 0 32.2   6.5   ?    ?   402.016  -110.298     23.7131    -110.298     212.491     69.7022      
1 1 1 13 17 18 o 0 108.2  13.6  ?    ?   454.373  -139.856     257.262    -139.856     6.35291     -139.856     
1 1 1 13 17 19 f 1 138.1  15.8  ?    ?   544.892  169.302      278.367    169.302      19.4963     -10.6982     
1 1 1 13 17 20 o 0 119.9  12.9  ?    ?   491.865  -129.998     274.093    -129.998     16.0884     -129.998     
1 1 1 13 17 21 o 0 -0.3   6.9   ?    ?   70.3868  146.014      18.1313    -33.9857     54.7418     -33.9857     
1 1 1 13 17 22 o 0 10.4   8.5   ?    ?   177.212  -108.865     7.74377    -108.865     82.3443     71.1353      
1 1 1 13 17 23 o 0 132.4  14.5  ?    ?   514.387  44.0516      286.824    44.0516      27.7785     44.0516      
1 1 1 13 17 24 o 0 182    17.9  ?    ?   507.631  172.97       461.63     172.97       133.001     172.97       
1 1 1 13 17 25 o 0 -4.1   8.3   ?    ?   45.8457  -102.313     7.95085    77.6874      37.9125     77.6874      
1 1 1 13 17 26 o 0 -2.4   6.5   ?    ?   112.669  -149.484     30.7701    30.5159      103.597     30.5159      
1 1 1 13 17 27 o 0 32.5   7.5   ?    ?   194.67   171.927      166.689    171.927      42.0338     171.927      
1 1 1 13 17 28 o 0 -0.1   7     ?    ?   85.0834  124.904      5.84428    -55.096      58.4982     -55.096      
1 1 1 13 17 29 o 0 -3.5   5.9   ?    ?   42.4598  -57.3707     8.27414    122.629      33.5013     122.629      
1 1 1 13 17 30 o 0 -9.7   6.2   ?    ?   40.543   -6.23089     10.3603    173.769      33.8597     173.769      
1 1 1 13 17 31 o 0 0.9    6.8   ?    ?   57.9538  51.9487      11.7482    51.9487      19.5126     -128.051     
1 1 1 13 18 0  o 0 -4     6.4   ?    ?   55.9761  90           1.71449    90           31.3669     -90          
1 1 1 13 18 1  o 0 15.3   5.3   ?    ?   145.989  -114.045     4.67915    65.9552      90.896      65.9552      
1 1 1 13 18 2  f 1 178.5  14.9  ?    ?   670.054  34.4972      271.663    34.4972      122.55      -145.503     
1 1 1 13 18 3  o 0 81     8.3   ?    ?   565.891  133.515      102.081    133.515      231.138     -46.4849     
1 1 1 13 18 4  o 0 -2.3   4.2   ?    ?   19.5258  -23.3272     9.71145    156.673      21.1843     156.673      
1 1 1 13 18 5  o 0 89.6   8     ?    ?   420.863  101.58       200.094    101.58       46.5615     -78.4199     
1 1 1 13 18 6  f 1 295.4  21.3  ?    ?   904.428  -156.062     355.06     -156.062     205.397     23.9385      
1 1 1 13 18 7  o 0 524.2  34.8  ?    ?   872.414  -104.995     678.267    -104.995     138.046     -104.995     
1 1 1 13 18 8  o 0 -2.4   4.2   ?    ?   53.2089  -74.6268     27.6628    105.373      60.8297     105.373      
1 1 1 13 18 9  o 0 44.2   5.6   ?    ?   248.461  32.0315      134.251    32.0315      20.0054     -147.968     
1 1 1 13 18 10 o 0 190.9  15.2  ?    ?   689.316  13.4585      291.976    13.4585      134.136     -166.541     
1 1 1 13 18 11 o 0 467.8  36.1  ?    ?   882.058  -153.678     588.387    -153.678     45.6597     -153.678     
1 1 1 13 18 12 o 0 94.4   10.2  ?    ?   365.209  159.793      249.101    159.793      25.5062     159.793      
1 1 1 13 18 13 o 0 9.2    5.1   ?    ?   52.9425  169.652      6.99705    -10.3482     38.5896     -10.3482     
1 1 1 13 18 14 o 0 304.9  27.8  ?    ?   450.739  -83.0194     614.538    -83.0194     347.086     -83.0194     
1 1 1 13 18 15 o 0 395.5  32    ?    ?   778.183  13.5354      554.763    13.5354      95.7908     13.5354      
1 1 1 13 18 16 f 1 133.5  15.2  ?    ?   411.515  133.041      339.301    133.041      111.605     133.041      
1 1 1 13 18 17 o 0 46.3   9.5   ?    ?   346.83   -167.517     121.581    -167.517     69.5188     12.4829      
1 1 1 13 18 18 o 0 53.3   10    ?    ?   385.13   69.5831      138.641    69.5831      64.6203     -110.417     
1 1 1 13 18 19 o 0 43.6   7.3   ?    ?   367.33   125.78       111.22     125.78       81.1768     -54.2203     
1 1 1 13 18 20 o 0 81     8.8   ?    ?   204.849  158.724      298.112    158.724      193.155     158.724      
1 1 1 13 18 21 o 0 20.6   6.5   ?    ?   143.001  -147.892     72.7572    -147.892     0.10911     -147.892     
1 1 1 13 18 22 o 0 29.4   7.6   ?    ?   261.359  -151.924     95.0463    -151.924     42.6178     28.0755      
1 1 1 13 18 23 o 0 -9.5   7.9   ?    ?   52.8679  41.8313      19.0792    -138.169     53.3114     -138.169     
1 1 1 13 18 24 o 0 236.2  19.9  ?    ?   736.457  44.9821      419.729    44.9821      61.8862     -135.018     
1 1 1 13 18 25 o 0 41.3   7.6   ?    ?   300.795  63.1373      158.736    63.1373      36.3394     -116.863     
1 1 1 13 18 26 o 0 -4.8   6.7   ?    ?   66.5044  -56.2642     17.7782    123.736      60.4332     123.736      
1 1 1 13 18 27 o 0 -0.7   6     ?    ?   139.473  149.634      28.2234    -30.366      114.722     -30.366      
1 1 1 13 18 28 o 0 67.6   9.8   ?    ?   184.309  148.941      321.335    148.941      211.535     148.941      
1 1 1 13 18 29 o 0 30     6     ?    ?   312.256  -50.1964     107.434    -50.1964     74.1415     129.804      
1 1 1 13 18 30 o 0 12.8   6.5   ?    ?   90.6019  25.6644      79.655     25.6644      30.5975     25.6644      
1 1 1 13 18 31 o 0 7.2    6.4   ?    ?   171.683  -76.9733     38.8522    -76.9733     44.4        103.027      
1 1 1 13 19 0  f 1 3.1    6.9   ?    ?   34.1638  90           2.55889    90           18.8055     -90          
1 1 1 13 19 1  o 0 32.1   6.5   ?    ?   198.996  -129.146     90.0935    -129.146     34.6227     50.8536      
1 1 1 13 19 2  o 0 635    52.8  ?    ?   935.667  -99.2102     753.529    -99.2102     167.656     -99.2102     
1 1 1 13 19 3  o 0 19.7   5.7   ?    ?   139.637  52.1924      28.146     52.1924      59.1652     -127.808     
1 1 1 13 19 4  o 0 9.8    4.9   ?    ?   127.896  128.765      25.4022    -51.2349     105.222     -51.2349     
1 1 1 13 19 5  o 0 13.1   4.6   ?    ?   162.843  19.6142      13.7763    -160.386     115.173     -160.386     
1 1 1 13 19 6  o 0 320.1  22    ?    ?   698.409  84.7581      506.546    84.7581      72.8544     84.7581      
1 1 1 13 19 7  o 0 13.2   4.4   ?    ?   204.072  -125.346     22.4629    54.6538      148.792     54.6538      
1 1 1 13 19 8  o 0 11.6   5.4   ?    ?   291.122  -177.166     64.6794    2.83421      244.268     2.83421      
1 1 1 13 19 9  o 0 21.9   5.6   ?    ?   194.865  -42.6527     35.6295    -42.6527     84.1174     137.347      
1 1 1 13 19 10 o 0 348.2  25.7  ?    ?   694.319  -2.27878     551.087    -2.27878     134.761     -2.27878     
1 1 1 13 19 11 o 0 125    11.3  ?    ?   442.828  -178.026     295.48     -178.026     31.1616     -178.026     
1 1 1 13 19 12 o 0 150.1  14.1  ?    ?   361.013  -170.538     391.106    -170.538     176.679     -170.538     
1 1 1 13 19 13 o 0 8.7    7.4   ?    ?   82.0071  171.939      10.3121    -8.06059     58.7646     -8.06059     
1 1 1 13 19 14 o 0 8.2    12    ?    ?   32.3965  31.8339      2.38464    31.8339      15.6319     -148.166     
1 1 1 13 19 15 o 0 363.9  29.7  ?    ?   766.589  84.5007      538.054    84.5007      114.291     84.5007      
1 1 1 13 19 16 o 0 75.9   10.4  ?    ?   250.741  87.1954      267.282    87.1954      134.412     87.1954      
1 1 1 13 19 17 o 0 91.2   12    ?    ?   275.874  71.1119      298.894    71.1119      153.698     71.1119      
1 1 1 13 19 18 o 0 6.5    8     ?    ?   126.37   114.753      10.3684    -65.2468     76.3999     -65.2468     
1 1 1 13 19 19 o 0 119    13.8  ?    ?   453.896  25.9532      290.827    25.9532      58.7285     25.9532      
1 1 1 13 19 20 o 0 31.8   8.3   ?    ?   99.4149  -20.9616     114.533    -20.9616     64.1074     -20.9616     
1 1 1 13 19 21 o 0 9.7    8.1   ?    ?   176.547  -144.987     8.5791     -144.987     106.691     35.0132      
1 1 1 13 19 22 o 0 10.4   6.5   ?    ?   93.5065  51.6304      31.406     51.6304      30.313      -128.37      
1 1 1 13 19 23 f 1 85.8   10.1  ?    ?   411.396  -109.064     264.926    -109.064     3.34222     70.9365      
1 1 1 13 19 24 o 0 140.4  14.1  ?    ?   428.89   -9.59517     401.324    -9.59517     123.125     -9.59517     
1 1 1 13 19 25 o 0 5.6    7.2   ?    ?   85.2329  -101.474     9.95576    -101.474     44.7475     78.5259      
1 1 1 13 19 26 f 1 1      5.3   ?    ?   80.643   -7.84646     11.4205    172.154      61.3628     172.154      
1 1 1 13 19 27 o 0 44     7.2   ?    ?   300.362  3.33989      177.267    3.33989      1.96941     -176.66      
1 1 1 13 19 28 o 0 123.3  13.4  ?    ?   462.757  -127.044     336.836    -127.044     67.1535     -127.044     
1 1 1 13 19 29 o 0 32.4   7.8   ?    ?   321.634  -174.627     120.35     -174.627     54.2812     5.3727       
1 1 1 13 19 30 o 0 3.1    6.1   ?    ?   53.6439  22.2699      26.6964    22.2699      0.5972      22.2699      
1 1 1 13 20 0  f 1 10.5   9.1   ?    ?   320.576  -90          45.2644    -90          152.595     90           
1 1 1 13 20 1  o 0 77.7   8.8   ?    ?   304.705  173.622      231.392    173.622      42.855      173.622      
1 1 1 13 20 2  o 0 593.5  49.6  ?    ?   1206.74  -146.735     535.729    -146.735     210.49      33.2654      
1 1 1 13 20 3  o 0 349.3  25.5  ?    ?   751.436  71.1482      514.112    71.1482      49.9621     71.1482      
1 1 1 13 20 4  o 0 3.5    4.9   ?    ?   202.804  44.6578      82.4132    -135.342     207.481     -135.342     
1 1 1 13 20 5  o 0 49.7   7.8   ?    ?   174.599  59.4227      181.504    59.4227      76.2139     59.4227      
1 1 1 13 20 6  o 0 376.7  29.9  ?    ?   898.361  59.0216      472.383    59.0216      68.0117     -120.978     
1 1 1 13 20 7  o 0 53.5   6.6   ?    ?   87.3344  -98.4511     157.178    -98.4511     104.796     -98.4511     
1 1 1 13 20 8  o 0 27.8   5.3   ?    ?   209.739  -10.2022     78.7677    -10.2022     46.6142     169.798      
1 1 1 13 20 9  o 0 107    10.3  ?    ?   397.588  -159.717     274.04     -159.717     37.2416     -159.717     
1 1 1 13 20 10 o 0 94.8   10.9  ?    ?   450.915  -119.828     212.794    -119.828     54.6696     60.1715      
1 1 1 13 20 11 o 0 92.2   15    ?    ?   160.89   -133.231     325.969    -133.231     236.036     -133.231     
1 1 1 13 20 12 o 0 157.6  19.9  ?    ?   649.657  35.9093      267.767    35.9093      93.619      -144.091     
1 1 1 13 20 13 f 1 16.1   8.8   ?    ?   145.159  169.267      25.417     169.267      54.7032     -10.7331     
1 1 1 13 20 14 o 0 63.2   9.6   ?    ?   301.415  118.501      209.631    118.501      49.6122     118.501      
1 1 1 13 20 15 o 0 93.8   11.8  ?    ?   342.631  159.588      279.785    159.588      98.9741     159.588      
1 1 1 13 20 16 o 0 178.6  15.7  ?    ?   654.227  -1.38285     314.973    -1.38285     28.064      178.617      
1 1 1 13 20 17 o 0 4      5.2   ?    ?   80.5898  43.0502      14.1618    -136.95      55.5487     -136.95      
1 1 1 13 20 18 o 0 35.7   6.5   ?    ?   196.198  -25.9543     144.213    -25.9543     44.1839     -25.9543     
1 1 1 13 20 19 o 0 21.1   5.5   ?    ?   150.08   -65.4528     84.5989    -65.4528     5.16275     -65.4528     
1 1 1 13 20 20 o 0 37.7   8.5   ?    ?   207.623  115.544      184.208    115.544      48.936      115.544      
1 1 1 13 20 21 o 0 0.6    8.2   ?    ?   43.6141  43.8742      1.70001    -136.126     30.4388     -136.126     
1 1 1 13 20 22 o 0 4.5    8.6   ?    ?   52.1826  130.713      7.10191    130.713      26.9711     -49.287      
1 1 1 13 20 23 o 0 151.3  17.3  ?    ?   478.142  -126.899     391.995    -126.899     82.0968     -126.899     
1 1 1 13 20 24 o 0 71.4   8.4   ?    ?   379.529  -104.665     237.408    -104.665     0.804253    75.3349      
1 1 1 13 20 25 o 0 19     6.7   ?    ?   24.8617  -151.915     41.9381    -151.915     26.4992     -151.915     
1 1 1 13 20 26 o 0 0.5    7.1   ?    ?   100.852  -1.03136     2.54299    178.969      62.7645     178.969      
1 1 1 13 20 27 o 0 19.3   8.1   ?    ?   115.653  91.236       113.879    91.236       46.4006     91.236       
1 1 1 13 20 28 o 0 67.7   8.5   ?    ?   425.292  159.983      212.712    159.983      18.5941     -20.0167     
1 1 1 13 20 29 o 0 4      6     ?    ?   68.3837  -113.916     33.6202    -113.916     0.274988    -113.916     
1 1 1 13 21 0  o 0 19.8   9.7   ?    ?   166.669  90           57.8778    90           41.7951     -90          
1 1 1 13 21 1  o 0 184.4  14.6  ?    ?   644.353  177.59       311.886    177.59       73.5507     -2.41027     
1 1 1 13 21 2  o 0 640.1  53.5  ?    ?   1064.98  33.1626      671.938    33.1626      35.0922     33.1626      
1 1 1 13 21 3  o 0 24.9   6.7   ?    ?   130.692  -17.805      65.474     -17.805      12.6128     162.195      
1 1 1 13 21 4  o 0 23.9   6.8   ?    ?   163.78   -37.0425     62.1849    -37.0425     35.5398     142.958      
1 1 1 13 21 5  f 1 28     5.5   ?    ?   76.0898  -130.557     59.2605    -130.557     14.0582     -130.557     
1 1 1 13 21 6  o 0 325.9  24.2  ?    ?   789.886  4.25453      459.001    4.25453      10.3824     -175.745     
1 1 1 13 21 7  o 0 89.3   8.9   ?    ?   469.662  -20.0503     205.732    -20.0503     57.7372     159.95       
1 1 1 13 21 8  o 0 8.4    4.7   ?    ?   98.8901  143.622      11.22      -36.3785     66.5209     -36.3785     
1 1 1 13 21 9  o 0 74.1   11.4  ?    ?   315.589  9.15386      231.321    9.15386      55.4653     9.15386      
1 1 1 13 21 10 o 0 124.3  14.6  ?    ?   410.087  -178.266     318.09     -178.266     90.4809     -178.266     
1 1 1 13 21 11 o 0 434    43.2  ?    ?   643.467  -23.5538     693.74     -23.5538     350.68      -23.5538     
1 1 1 13 21 12 o 0 77.4   11.8  ?    ?   432.838  -169.387     194.161    -169.387     35.5069     10.6126      
1 1 1 13 21 13 o 0 16.8   9.1   ?    ?   103.448  77.3551      34.1244    77.3551      20.4833     -102.645     
1 1 1 13 21 14 o 0 114.7  11.1  ?    ?   681.861  -173.117     168.705    -173.117     189.232     6.88342      
1 1 1 13 21 15 o 0 71.7   8.8   ?    ?   211.769  -132.885     270.139    -132.885     161.169     -132.885     
1 1 1 13 21 16 o 0 135.8  12.9  ?    ?   596.041  7.97074      261.299    7.97074      43.4508     -172.029     
1 1 1 13 21 17 o 0 55.1   7.8   ?    ?   233.874  -114.964     208.462    -114.964     84.2149     -114.964     
1 1 1 13 21 18 o 0 9.9    5     ?    ?   142.889  3.52963      11.6722    3.52963      81.8521     -176.47      
1 1 1 13 21 19 o 0 -1.9   4.7   ?    ?   146.005  35.9647      56.7681    -144.035     153.505     -144.035     
1 1 1 13 21 20 o 0 105.6  10.6  ?    ?   371.53   112.905      351.261    112.905      107.108     112.905      
1 1 1 13 21 21 o 0 6.2    5.4   ?    ?   144.082  -142.16      2.64258    37.8403      96.7161     37.8403      
1 1 1 13 21 22 f 1 31     6.2   ?    ?   139.849  137.519      180.736    137.519      90.4913     137.519      
1 1 1 13 21 23 f 1 81.5   11.6  ?    ?   247.836  117.855      340.544    117.855      185.596     117.855      
1 1 1 13 21 24 o 0 147.7  14.7  ?    ?   498.329  -165.166     380.048    -165.166     79.3876     -165.166     
1 1 1 13 21 25 o 0 29.9   6.4   ?    ?   220.007  70.9044      150.13     70.9044      18.8074     70.9044      
1 1 1 13 21 26 o 0 -4.2   7.2   ?    ?   92.1531  25.8401      8.73805    -154.16      62.5126     -154.16      
1 1 1 13 21 27 o 0 46.3   9     ?    ?   253.781  148.844      213.387    148.844      75.2721     148.844      
1 1 1 13 21 28 o 0 11.9   7     ?    ?   186.85   113.383      63.037     113.383      28.1824     -66.6166     
1 1 1 13 22 0  o 0 55.1   11.9  ?    ?   238.784  90           181.364    90           48.1362     90           
1 1 1 13 22 1  o 0 83.1   12.3  ?    ?   275.801  2.98328      274.313    2.98328      120.349     2.98328      
1 1 1 13 22 2  o 0 695.2  65.2  ?    ?   915.696  97.06        818.099    97.0601      306.933     97.0601      
1 1 1 13 22 3  o 0 90.1   9.5   ?    ?   357.514  -85.0681     260.757    -85.0681     61.2972     -85.0681     
1 1 1 13 22 4  o 0 72.7   8.3   ?    ?   453.374  -67.7317     164.155    -67.7317     88.5101     112.268      
1 1 1 13 22 5  o 0 6.2    5.1   ?    ?   184.868  -22.9883     42.0807    157.012      144.944     157.012      
1 1 1 13 22 6  o 0 411.3  29.9  ?    ?   736.652  -98.8274     617.989    -98.8274     208.948     -98.8274     
1 1 1 13 22 7  o 0 209.4  20.1  ?    ?   498.982  -147.851     455.03     -147.851     188.393     -147.851     
1 1 1 13 22 8  o 0 4      4.7   ?    ?   35.3483  -146.049     8.16061    33.9507      26.9934     33.9507      
1 1 1 13 22 9  o 0 6.5    6.5   ?    ?   203.777  65.4702      32.3708    -114.53      140.569     -114.53      
1 1 1 13 22 10 o 0 154.8  16.6  ?    ?   444.021  -113.278     373.185    -113.278     138.327     -113.278     
1 1 1 13 22 11 o 0 0.9    11    ?    ?   103.983  77.9787      10.919     -102.021     65.6853     -102.021     
1 1 1 13 22 12 o 0 5.8    7.6   ?    ?   70.2825  165.466      2.19923    -14.5342     38.5324     -14.5342     
1 1 1 13 22 13 f 1 1.4    7.3   ?    ?   154.529  -47.1824     29.9153    132.818      109.19      132.818      
1 1 1 13 22 14 f 1 134.9  13.1  ?    ?   360.091  14.175       369.49     14.175       185.777     14.175       
1 1 1 13 22 15 o 0 98     9.5   ?    ?   498.403  125.811      211.069    125.811      54.0531     -54.1891     
1 1 1 13 22 16 o 0 117.4  11.1  ?    ?   316.779  165.59       423.811    165.59       216.02      165.59       
1 1 1 13 22 17 o 0 2      4.8   ?    ?   92.5093  -115.595     21.4198    64.4051      82.9014     64.4051      
1 1 1 13 22 18 f 1 23.2   5.3   ?    ?   183.998  164.925      121.568    164.925      0.482491    164.925      
1 1 1 13 22 19 o 0 3.9    4.7   ?    ?   28.3195  -158.219     1.68974    21.7812      20.271      21.7812      
1 1 1 13 22 20 o 0 165.1  18.2  ?    ?   391.694  10.3105      478.238    10.3105      223.338     10.3105      
1 1 1 13 22 21 o 0 2.9    5     ?    ?   46.7127  -39.2956     2.10893    140.704      31.5894     140.704      
1 1 1 13 22 22 o 0 -4.5   5.3   ?    ?   44.1709  18.2554      13.6798    -161.745     41.3009     -161.745     
1 1 1 13 22 23 o 0 126    10.8  ?    ?   542.505  43.9306      307.421    43.9305      19.2695     -136.069     
1 1 1 13 22 24 o 0 5.3    3.9   ?    ?   124.48   123.165      7.36558    123.165      65.9919     -56.8352     
1 1 1 13 22 25 o 0 16     5.7   ?    ?   108.931  -5.01555     109.263    -5.01555     49.3288     -5.01555     
1 1 1 13 22 26 o 0 -6.3   5.2   ?    ?   35.8144  62.6459      6.94283    -117.354     26.426      -117.354     
1 1 1 13 22 27 f 1 -0.3   5.9   ?    ?   30.1348  -45.6981     8.84516    -45.6981     5.83028     134.302      
1 1 1 13 23 0  f 1 -0.4   9.7   ?    ?   127.94   -90          11.8751    -90          55.7804     90           
1 1 1 13 23 1  o 0 82.5   10.5  ?    ?   359.004  3.01622      243.694    3.01622      53.2049     3.01622      
1 1 1 13 23 2  o 0 364.5  27.1  ?    ?   749.581  -84.2559     561.568    -84.2559     163.74      -84.2559     
1 1 1 13 23 3  o 0 26.8   5.9   ?    ?   160.052  -58.8946     99.7349    -58.8946     14.8165     -58.8946     
1 1 1 13 23 4  o 0 59.6   8.5   ?    ?   333.307  123.318      184.775    123.318      8.0822      123.318      
1 1 1 13 23 5  o 0 57     8.4   ?    ?   244.428  -43.3324     209.17     -43.3324     79.7694     -43.3324     
1 1 1 13 23 6  o 0 87.7   8.7   ?    ?   592.81   154.937      146.517    154.937      166.739     -25.0632     
1 1 1 13 23 7  f 1 18.6   5     ?    ?   37.9498  -106.997     22.1569    -106.997     2.20143     -106.997     
1 1 1 13 23 8  o 0 24.2   5.7   ?    ?   224.639  50.3224      84.8162    50.3224      31.6434     -129.678     
1 1 1 13 23 9  o 0 28.5   7.1   ?    ?   275.973  -154.989     88.8237    -154.989     53.7846     25.0114      
1 1 1 13 23 10 o 0 404    35.5  ?    ?   824.562  90.7916      560.877    90.7916      136.36      90.7916      
1 1 1 13 23 11 o 0 23.2   6.8   ?    ?   187.143  -162.465     84.8587    -162.465     11.0916     17.5349      
1 1 1 13 23 12 o 0 101.3  11.1  ?    ?   393.353  -32.4669     270.656    -32.4669     60.6327     -32.4669     
1 1 1 13 23 13 o 0 2      4.8   ?    ?   120.857  -138.992     36.6763    41.0083      116.358     41.0083      
1 1 1 13 23 14 o 0 34.8   5.9   ?    ?   366.771  -23.4258     92.7906    -23.4258     147.704     156.574      
1 1 1 13 23 15 o 0 34.5   6.1   ?    ?   233.92   77.3284      165.672    77.3284      10.1232     77.3284      
1 1 1 13 23 16 o 0 93.4   10.3  ?    ?   409.393  143.554      292.712    143.554      22.2048     143.554      
1 1 1 13 23 17 o 0 37.3   9.7   ?    ?   267.5    28.9902      155.23     28.9902      20.7072     -151.01      
1 1 1 13 23 18 o 0 41.8   8.6   ?    ?   156.157  39.5457      229.942    39.5457      127.981     39.5457      
1 1 1 13 23 19 o 0 65.2   12.9  ?    ?   255.832  -19.801      276.485    -19.801      114.334     -19.801      
1 1 1 13 23 20 o 0 26     15.3  ?    ?   290.298  -120.716     60.3262    -120.716     122.161     59.2835      
1 1 1 13 23 21 o 0 58.1   11.1  ?    ?   277.087  86.743       242.158    86.743       74.2537     86.743       
1 1 1 13 23 22 o 0 23     5     ?    ?   115.666  102.533      155.703    102.533      87.0435     102.533      
1 1 1 13 23 23 f 1 11.8   4.6   ?    ?   114.839  -22.8788     67.6604    -22.8788     0.327228    -22.8788     
1 1 1 13 23 24 f 1 139.2  11.6  ?    ?   425.334  -29.8056     414.791    -29.8056     181.842     -29.8056     
1 1 1 13 23 25 o 0 47.7   6     ?    ?   226.354  -108.953     255.449    -108.953     143.779     -108.953     
1 1 1 13 24 0  o 0 80.2   15.2  ?    ?   193.183  -90          216.963    -90          117.559     -90          
1 1 1 13 24 1  o 0 35.5   8.1   ?    ?   340.69   11.4457      94.1193    11.4457      81.3774     -168.554     
1 1 1 13 24 2  o 0 471    37.1  ?    ?   920.107  14.2204      595.848    14.2204      121.641     14.2204      
1 1 1 13 24 3  o 0 60.6   9.9   ?    ?   294.98   -148.393     205.657    -148.393     53.6383     -148.393     
1 1 1 13 24 4  o 0 37     6.8   ?    ?   406.315  154.585      72.7044    154.585      136.565     -25.4153     
1 1 1 13 24 5  o 0 5.4    5     ?    ?   183.612  111.449      32.3314    -68.5511     126.792     -68.5511     
1 1 1 13 24 6  o 0 610.6  43.7  ?    ?   780.775  -140.313     807.509    -140.313     406.492     -140.313     
1 1 1 13 24 7  o 0 14.8   4.9   ?    ?   226.926  42.6133      26.7857    42.6133      94.8878     -137.387     
1 1 1 13 24 8  o 0 -3.5   4.4   ?    ?   108.318  75.532       40.9734    -104.468     98.8994     -104.468     
1 1 1 13 24 9  f 1 -0.5   6.5   ?    ?   132.756  -28.3454     39.0741    151.655      126.682     151.655      
1 1 1 13 24 10 o 0 103.6  14.8  ?    ?   364.601  -124.436     351.835    -124.436     111.468     -124.436     
1 1 1 13 24 11 o 0 109.6  13.4  ?    ?   254.06   -65.2787     430.64     -65.2787     263.821     -65.2787     
1 1 1 13 24 12 o 0 58     8.1   ?    ?   214.353  59.752       282.178    59.752       139.24      59.752       
1 1 1 13 24 13 o 0 8.7    4.7   ?    ?   72.5872  -27.4243     16.8421    -27.4243     31.3228     152.576      
1 1 1 13 24 14 o 0 19     5.1   ?    ?   84.5533  -111.949     103.854    -111.949     47.9284     -111.949     
1 1 1 13 24 15 o 0 28.6   5.7   ?    ?   248.767  -3.4845      126.058    -3.4845      37.5222     176.516      
1 1 1 13 24 16 o 0 200.6  20.3  ?    ?   473.83   -69.3474     506        -69.3474     196.39      -69.3474     
1 1 1 13 24 17 o 0 -2.6   10    ?    ?   59.4068  113.985      4.52737    113.985      33.1896     -66.0148     
1 1 1 13 24 18 o 0 65.4   13.2  ?    ?   241.163  -107.154     281.959    -107.154     129.954     -107.154     
1 1 1 13 24 19 o 0 10     8.7   ?    ?   30.3722  -98.169      22.5019    -98.169      4.03039     -98.169      
1 1 1 13 24 20 o 0 93.9   13.3  ?    ?   169.173  82.3514      410.23     82.3514      308.188     82.3514      
1 1 1 13 24 21 o 0 -14.7  8.3   ?    ?   55.6136  45.9048      10.8139    -134.095     43.6907     -134.095     
1 1 1 13 24 22 o 0 -6.6   7.9   ?    ?   53.0457  -49.9251     1.58563    -49.9251     27.7362     130.075      
1 1 1 13 24 23 o 0 2.2    7.5   ?    ?   104.722  -83.4932     19.2572    -83.4932     38.0666     96.5068      
1 1 1 13 24 24 o 0 10.4   7.8   ?    ?   56.714   -163.355     67.0077    -163.355     39.101      -163.355     
1 1 1 13 25 0  o 0 11.3   21.3  ?    ?   39.7771  -90          17.3985    -90          8.73631     90           
1 1 1 13 25 1  o 0 34.5   7.8   ?    ?   269.81   20.6992      142.388    20.6992      35.1257     -159.301     
1 1 1 13 25 2  o 0 139.8  13.8  ?    ?   468.844  11.306       394.521    11.306       85.8232     11.306       
1 1 1 13 25 3  o 0 64.8   7.9   ?    ?   259.936  -82.4649     284.729    -82.4649     113.55      -82.4649     
1 1 1 13 25 4  o 0 -1     5.2   ?    ?   121.441  -131.539     45.105     48.4611      125.05      48.4611      
1 1 1 13 25 5  o 0 20.3   5.4   ?    ?   205.46   69.9858      86.1405    69.9858      48.9909     -110.014     
1 1 1 13 25 6  o 0 54.2   7.8   ?    ?   359.584  -139.55      186.383    -139.55      49.7756     40.4496      
1 1 1 13 25 7  o 0 162.7  14.1  ?    ?   436.419  171.941      467.476    171.941      175.656     171.941      
1 1 1 13 25 8  o 0 15.9   4.8   ?    ?   119.226  4.69605      82.5469    4.69605      3.01979     4.69605      
1 1 1 13 25 9  o 0 31.4   7     ?    ?   12.772   156.295      37.9533    156.295      29.459      156.295      
1 1 1 13 25 10 o 0 36.7   7.3   ?    ?   320.125  -51.2149     127.493    -51.2149     84.6846     128.785      
1 1 1 13 25 11 o 0 208.1  19.4  ?    ?   507.763  151.888      510.35     151.888      174.381     151.888      
1 1 1 13 25 12 o 0 90.8   11.9  ?    ?   314.925  -151.38      336.955    -151.38      129.49      -151.38      
1 1 1 13 25 13 o 0 1.6    4.6   ?    ?   66.2894  85.5736      14.2956    -94.4264     57.7541     -94.4264     
1 1 1 13 25 14 f 1 30.4   5.5   ?    ?   139.745  -130.709     187.562    -130.709     98.6429     -130.709     
1 1 1 13 25 15 f 1 10.3   9.3   ?    ?   185.946  -147.633     30.8623    -147.633     86.7697     32.3673      
1 1 1 13 25 16 f 1 45.9   11.6  ?    ?   118.152  105.57       256.048    105.57       183.821     105.57       
1 1 1 13 25 17 o 0 8.6    7.2   ?    ?   182.111  -102.712     19.5855    -102.712     91.2762     77.2881      
1 1 1 13 25 18 o 0 8.6    8.5   ?    ?   182.435  149.534      28.5074    149.534      80.5014     -30.4659     
1 1 1 13 25 19 o 0 25     9.6   ?    ?   213.242  -159.203     113.426    -159.203     13.0086     20.7969      
1 1 1 13 25 20 f 1 12.8   8.6   ?    ?   58.3442  -44.8784     67.7708    -44.8784     35.4749     -44.8784     
1 1 1 13 25 21 f 1 -4.1   7.9   ?    ?   110.045  -54.8248     0.604827   -54.8248     59.7789     125.175      
1 1 1 13 25 22 o 0 10.8   7.6   ?    ?   140.662  -49.0899     71.6896    -49.0899     2.05583     -49.0899     
1 1 1 13 26 0  o 0 3.6    10.1  ?    ?   16.3978  90           3.91085    90           6.89039     -90          
1 1 1 13 26 1  o 0 0.3    5.9   ?    ?   168.228  -162.958     46.2131    17.0422      157.204     17.0422      
1 1 1 13 26 2  o 0 97.2   11.6  ?    ?   366.594  -61.6288     328.741    -61.6288     86.6322     -61.6288     
1 1 1 13 26 3  o 0 57.7   8.2   ?    ?   361.908  -81.7392     196.545    -81.7392     42.5696     98.2608      
1 1 1 13 26 4  f 1 17.4   5.4   ?    ?   189.797  -171.191     78.1668    -171.191     46.8928     8.80894      
1 1 1 13 26 5  o 0 29.1   5.8   ?    ?   174.16   -112.09      160.369    -112.09      45.3973     -112.09      
1 1 1 13 26 6  o 0 -8     5     ?    ?   95.619   -120.797     43.2026    59.2032      106.386     59.2032      
1 1 1 13 26 7  o 0 8.8    4.9   ?    ?   105.461  155.659      23.4263    155.659      46.1376     -24.3414     
1 1 1 13 26 8  o 0 24.1   6.2   ?    ?   121.395  73.81        143.848    73.81        63.9562     73.81        
1 1 1 13 26 9  o 0 -3.6   6.4   ?    ?   72.3055  155.256      19.3184    -24.7439     66.7715     -24.7439     
1 1 1 13 26 10 o 0 111.6  13.1  ?    ?   549.826  58.6282      259.709    58.6282      92.1324     -121.372     
1 1 1 13 26 11 o 0 19.3   5.6   ?    ?   240.299  38.9943      76.6108    38.9943      76.5802     -141.006     
1 1 1 13 26 12 f 1 14.2   5.4   ?    ?   155.53   -89.1231     69.1326    -89.1231     29.3419     90.8769      
1 1 1 13 26 13 o 0 6      4.8   ?    ?   66.4459  161.903      13.0778    161.903      27.7424     -18.0967     
1 1 1 13 26 14 o 0 24.9   5.1   ?    ?   260.479  82.4861      107.701    82.4861      51.485      -97.5139     
1 1 1 13 26 15 o 0 4.6    7     ?    ?   78.1899  115.138      14.2652    115.138      33.2455     -64.8619     
1 1 1 13 26 16 o 0 46.1   8.8   ?    ?   276.145  -108.943     201.403    -108.943     36.5365     -108.943     
1 1 1 13 26 17 o 0 0.7    7.5   ?    ?   106.096  -81.004      4.92667    -81.004      57.9917     98.996       
1 1 1 13 26 18 o 0 10.7   9     ?    ?   150.772  -141.595     59.0808    -141.595     24.6954     38.4049      
1 1 1 13 26 19 o 0 1.8    8.7   ?    ?   75.699   -26.4724     24.4612    -26.4724     17.2774     153.528      
1 1 1 13 26 20 o 0 11.1   9.4   ?    ?   161.238  75.4768      67.8147    75.4768      12.2681     -104.523     
1 1 1 13 27 0  o 0 11.7   9.6   ?    ?   38.4949  -90          17.4951    -90          7.46069     90           
1 1 1 13 27 1  o 0 14.9   6.1   ?    ?   219.392  -79.0563     41.3597    -79.0563     101.134     100.944      
1 1 1 13 27 2  o 0 10     6.1   ?    ?   144.614  -132.803     27.7248    -132.803     66.3181     47.197       
1 1 1 13 27 3  o 0 12.9   5.5   ?    ?   221.61   117.922      31.8821    117.922      109.191     -62.0778     
1 1 1 13 27 4  o 0 1.7    5.4   ?    ?   24.362   73.3009      1.77596    -106.699     17.2856     -106.699     
1 1 1 13 27 5  o 0 3.4    5.5   ?    ?   75.9297  -139.083     0.709158   40.9165      49.0248     40.9165      
1 1 1 13 27 6  o 0 40.1   6.8   ?    ?   239.395  122.266      193.648    122.266      41.4739     122.266      
1 1 1 13 27 7  o 0 62.8   8.5   ?    ?   184.64   134.855      313.687    134.855      196.504     134.855      
1 1 1 13 27 8  o 0 -3.6   5.2   ?    ?   61.7857  -53.8866     18.6284    126.113      57.7585     126.113      
1 1 1 13 27 9  o 0 5.2    7     ?    ?   131.501  33.6763      12.8533    33.6763      67.9177     -146.324     
1 1 1 13 27 10 o 0 11.3   6     ?    ?   81.049   134.795      51.3615    134.795      1.73548     134.795      
1 1 1 13 27 11 o 0 99.7   13.2  ?    ?   327.699  -40.5675     354.852    -40.5675     154.934     -40.5675     
1 1 1 13 27 12 o 0 2.8    5.5   ?    ?   91.6668  22.098       1.89473    -157.902     57.5856     -157.902     
1 1 1 13 27 13 f 1 3.3    4.3   ?    ?   32.536   15.7536      2.17154    15.7536      17.2307     -164.246     
1 1 1 13 27 14 o 0 26.2   6.8   ?    ?   77.9487  -122.139     164.042    -122.139     117.678     -122.139     
1 1 1 13 27 15 o 0 46.7   8.7   ?    ?   150.778  -65.9961     268.46     -65.9961     184.301     -65.9961     
1 1 1 13 27 16 o 0 80     11.3  ?    ?   326.761  96.6322      300.865    96.6322      119.6       96.6322      
1 1 1 13 27 17 o 0 13.5   9.3   ?    ?   98.2472  155.967      97.1237    155.967      47.9527     155.967      
1 1 1 13 27 18 f 1 6.8    9.4   ?    ?   34.6057  96.0278      38.7151    96.0278      21.5636     96.0278      
1 1 1 13 28 0  o 0 -12.4  7.6   ?    ?   28.2758  90           2.22129    90           14.8902     -90          
1 1 1 13 28 1  o 0 23.8   6.7   ?    ?   331.665  154.62       58.1053    154.62       143.027     -25.3797     
1 1 1 13 28 2  o 0 9.3    5.8   ?    ?   150.148  -64.4614     31.981     -64.4614     59.2078     115.539      
1 1 1 13 28 3  o 0 84.9   10.4  ?    ?   337.901  -34.857      308.099    -34.857      102.703     -34.857      
1 1 1 13 28 4  o 0 3.8    5.2   ?    ?   38.3671  -133.756     3.06147    -133.756     20.2672     46.2437      
1 1 1 13 28 5  o 0 5.2    5.1   ?    ?   85.2998  -7.8071      9.58296    -7.8071      42.2679     172.193      
1 1 1 13 28 6  o 0 23.7   5.6   ?    ?   231.749  103.93       112.862    103.93       27.8913     -76.0697     
1 1 1 13 28 7  f 1 56.7   8.1   ?    ?   161.076  23.8747      298.21     23.8747      200.768     23.8747      
1 1 1 13 28 8  o 0 -4.8   5.6   ?    ?   143.569  169.743      37.7852    -10.2566     123.708     -10.2566     
1 1 1 13 28 9  o 0 7.3    4.7   ?    ?   98.7038  -171.939     29.7104    -171.939     29.2159     8.06131      
1 1 1 13 28 10 o 0 41.1   7.4   ?    ?   253.474  172.337      192.719    172.337      41.8476     172.337      
1 1 1 13 28 11 o 0 105.3  10.7  ?    ?   380.244  -43.6562     358.511    -43.6562     145.669     -43.6562     
1 1 1 13 28 12 o 0 7.8    5.1   ?    ?   56.3228  -72.7827     35.6847    -72.7827     4.28496     -72.7827     
1 1 1 13 28 13 o 0 17.1   7.5   ?    ?   127.58   -131.01      106.333    -131.01      35.5309     -131.01      
1 1 1 13 28 14 o 0 46.1   9     ?    ?   316.857  -90.4064     201.623    -90.4064     42.7216     -90.4064     
1 1 1 13 29 0  o 0 -6     7.3   ?    ?   11.2358  90           1.33101    90           5.26087     -90          
1 1 1 13 29 1  o 0 6.7    6.9   ?    ?   76.6826  48.7745      29.4729    48.7745      15.6203     -131.225     
1 1 1 13 29 2  o 0 28.7   7.1   ?    ?   186.638  -98.2465     160.293    -98.2465     50.3533     -98.2465     
1 1 1 13 29 3  o 0 -5.3   6     ?    ?   52.3741  123.37       9.96527    -56.6302     40.8502     -56.6302     
1 1 1 13 29 4  o 0 7.7    5.2   ?    ?   98.1031  176.384      32.0795    176.384      25.8008     -3.61614     
1 1 1 13 29 5  o 0 5.1    5.2   ?    ?   23.4429  -7.71209     10.324     -7.71209     2.72797     172.288      
1 1 1 13 29 6  o 0 24.4   6.1   ?    ?   262.384  94.8148      113.308    94.8148      32.6807     -85.1852     
1 1 1 13 29 7  o 0 15.2   5.5   ?    ?   262.909  81.2034      47.4001    81.2034      98.7028     -98.7966     
1 1 1 13 29 8  o 0 -2.3   5.1   ?    ?   35.2736  -130.51      2.90328    49.4897      22.4707     49.4897      
1 1 1 13 29 9  o 0 2.7    4.3   ?    ?   61.9169  57.5873      5.62507    57.5873      28.643      -122.413     
1 1 1 13 29 10 o 0 -2.3   12    ?    ?   157.523  -74.1712     32.7884    -74.1712     46.1673     105.829      
1 1 1 13 29 11 o 0 3.7    5.9   ?    ?   107.839  91.8476      32.2117    91.8476      21.6582     -88.1524     
1 1 1 13 29 12 o 0 -3.6   5     ?    ?   54.446   -95.7547     0.288199   -95.7547     26.8034     84.2453      
1 1 1 13 30 0  o 0 2.8    8.1   ?    ?   116.999  90           34.0035    90           23.6447     -90          
1 1 1 13 30 1  o 0 10.4   5.3   ?    ?   133.747  -108.797     73.7346    -108.797     7.66589     -108.797     
1 1 1 13 30 2  o 0 22     6.7   ?    ?   226.234  176.346      119.999    176.346      8.02775     176.346      
1 1 1 13 30 3  o 0 28     6.9   ?    ?   183.716  102.999      176.402    102.999      85.3547     102.999      
1 1 1 13 30 4  o 0 -2.2   6.3   ?    ?   81.3985  64.9015      11.859     64.9015      28.5094     -115.098     
1 1 1 13 30 5  o 0 -6     5     ?    ?   114.74   -172.076     15.0033    7.92446      71.9137     7.92446      
1 1 1 13 30 6  o 0 7.3    5.4   ?    ?   96.3072  -57.0397     54.6697    -57.0397     6.92415     -57.0397     
1 1 1 13 30 7  o 0 17.2   5.3   ?    ?   406.461  47.4489      11.4822    47.4489      189.817     -132.551     
1 1 1 14 0  1  o 0 8      3.1   ?    ?   198.617  -90          28.7816    -90          114.288     90           
1 1 1 14 0  2  o 0 43.2   6.4   ?    ?   216.954  0            158.629    0            3.12566     0            
1 1 1 14 0  3  o 0 71     8     ?    ?   554.217  90           268.808    90           126.282     -90          
1 1 1 14 0  4  o 0 108.3  12    ?    ?   355.121  180          327.539    180          74.6614     180          
1 1 1 14 0  5  o 0 498.8  52.8  ?    ?   886.684  -90          703.142    -90          75.4967     -90          
1 1 1 14 0  6  o 0 4.5    2.9   ?    ?   432.409  -180         27.6037    180          276.619     3.28712e-15  
1 1 1 14 0  7  o 0 139.8  15.4  ?    ?   505.478  -90          369.086    -90          15.645      -90          
1 1 1 14 0  8  f 1 2.2    3.3   ?    ?   215.559  2.47608e-14  8.28874    0            141.116     -180         
1 1 1 14 0  9  o 0 144.5  14.3  ?    ?   141.294  90           310.029    90           212.455     90           
1 1 1 14 0  10 o 0 81.1   8.6   ?    ?   600.243  1.08764e-15  276.137    0            135.786     -180         
1 1 1 14 0  11 o 0 1.4    3.8   ?    ?   35.9775  90           1.27514    90           23.2597     -90          
1 1 1 14 0  12 o 0 924.5  84.8  ?    ?   1553.18  0            918.061    0            145.6       180          
1 1 1 14 0  13 o 0 107.5  13.2  ?    ?   287.295  -90          302.012    -90          106.533     -90          
1 1 1 14 0  14 o 0 1212.4 128.1 ?    ?   1330.38  180          1032.63    180          133.399     180          
1 1 1 14 0  15 o 0 273.6  26.2  ?    ?   564.633  90           455.612    90           104.093     90           
1 1 1 14 0  16 o 0 272.7  26.3  ?    ?   511.657  180          451.607    180          135.303     180          
1 1 1 14 0  17 o 0 99.9   14.9  ?    ?   430.73   90           268.696    90           3.55269     90           
1 1 1 14 0  18 o 0 -5.2   8.4   ?    ?   40.0116  1.52672e-13  1.48333    0            22.9589     -180         
1 1 1 14 0  19 f 1 67.8   12.6  ?    ?   32.5668  -90          40.0985    -90          20.4135     -90          
1 1 1 14 0  20 o 0 4.4    9.6   ?    ?   47.2471  -180         4.00685    180          24.3241     2.71148e-15  
1 1 1 14 0  21 o 0 219.5  23.4  ?    ?   608.841  90           388.614    90           26.7505     90           
1 1 1 14 0  22 o 0 22.3   9.7   ?    ?   24.7143  180          9.12713    180          5.59322     1.145e-14    
1 1 1 14 0  23 o 0 54.6   12.1  ?    ?   108.412  90           110.735    90           42.7527     90           
1 1 1 14 0  24 o 0 192.2  25    ?    ?   455.537  180          373.782    180          88.1532     180          
1 1 1 14 0  25 o 0 110.2  17.2  ?    ?   335.307  90           278.124    90           70.1643     90           
1 1 1 14 0  26 o 0 642.9  70.2  ?    ?   876.274  9.5063e-16   663.646    0            137.197     -3.64772e-15 
1 1 1 14 0  27 o 0 219    27.5  ?    ?   411.789  -90          384.476    -90          153.11      -90          
1 1 1 14 0  28 o 0 10.7   10.6  ?    ?   239.723  180          42.3717    180          90.6178     3.28092e-15  
1 1 1 14 0  29 o 0 2.6    11.8  ?    ?   421.672  -90          42.3214    -90          180.378     90           
1 1 1 14 0  30 o 0 21.9   17.2  ?    ?   259.39   180          80.1214    180          53.0966     1.0588e-14   
1 1 1 14 0  31 o 0 61.6   18    ?    ?   213.119  90           177.737    90           69.8725     90           
1 1 1 14 0  32 o 0 18.6   15.7  ?    ?   260.51   0            90.064     0            78.5228     180          
1 1 1 14 0  33 o 0 9      11.7  ?    ?   24.3943  -90          8.819      -90          7.03029     90           
1 1 1 14 0  34 o 0 20.3   11.5  ?    ?   352.108  0            105.843    0            119.646     180          
1 1 1 14 0  36 o 0 58.5   21.1  ?    ?   384.179  180          184.175    180          41.7352     3.09644e-14  
1 1 1 14 0  37 o 0 43.5   13.2  ?    ?   133.964  -90          163.772    -90          87.3321     -90          
1 1 1 14 0  38 o 0 28.1   13    ?    ?   217.997  180          114.51     180          0.623543    1.28858e-12  
1 1 1 14 1  0  o 0 4.2    3     ?    ?   227.926  1.75027e-13  14.2502    0            149.552     -180         
1 1 1 14 1  1  o 0 152.8  12.7  ?    ?   485.619  12.928       399.748    12.928       52.3398     12.928       
1 1 1 14 1  2  o 0 27.3   3     ?    ?   228.121  -94.744      49.6375    -94.744      112.729     85.256       
1 1 1 14 1  3  o 0 188.6  15.6  ?    ?   682.975  23.1943      357.547    23.1943      125.896     -156.806     
1 1 1 14 1  4  o 0 45.9   4.1   ?    ?   332.106  -55.3529     119.8      -55.3529     115.012     124.647      
1 1 1 14 1  5  o 0 212    16.1  ?    ?   660.984  -156.722     418.801    -156.722     45.7649     23.2779      
1 1 1 14 1  6  o 0 73.3   5.6   ?    ?   128.333  119.214      239.043    119.214      149.39      119.214      
1 1 1 14 1  7  o 0 41.8   3.7   ?    ?   259.326  -157.114     123.382    -157.114     56.6812     22.8863      
1 1 1 14 1  8  o 0 1771.1 122.2 ?    ?   1710.08  -151.535     1374.27    -151.535     194.101     -151.535     
1 1 1 14 1  9  o 0 258.6  19.7  ?    ?   674.804  93.2793      493.414    93.2794      30.5461     93.2794      
1 1 1 14 1  10 o 0 166.3  12.9  ?    ?   587.065  23.3176      351.29     23.3176      48.9458     -156.682     
1 1 1 14 1  11 o 0 92     7.8   ?    ?   457.36   22.5182      224.817    22.5182      85.0873     -157.482     
1 1 1 14 1  12 o 0 39.9   4.5   ?    ?   331.372  136.43       82.2774    136.43       143.25      -43.5696     
1 1 1 14 1  13 o 0 1046.4 68.2  ?    ?   1023.49  170.967      1221.43    170.967      529.209     170.967      
1 1 1 14 1  14 o 0 905.8  59    ?    ?   1383.42  -25.9304     844.745    -25.9304     84.9409     154.07       
1 1 1 14 1  15 o 0 3.1    3.9   ?    ?   153.908  89.2024      72.138     -90.7976     167.424     -90.7976     
1 1 1 14 1  16 o 0 389.2  27.6  ?    ?   1159.14  -16.9406     344.337    -16.9406     370.601     163.059      
1 1 1 14 1  17 o 0 264.6  21.3  ?    ?   639.622  -124.438     458.998    -124.438     67.2753     -124.438     
1 1 1 14 1  18 o 0 1218.5 91.4  ?    ?   1282.28  -168.919     1066.87    -168.919     287.361     -168.919     
1 1 1 14 1  19 o 0 83.4   10.2  ?    ?   153.243  104.066      252.147    104.066      159.911     104.066      
1 1 1 14 1  20 o 0 70.3   9.9   ?    ?   236.615  59.2594      215.094    59.2594      73.8368     59.2594      
1 1 1 14 1  21 o 0 61.9   7.6   ?    ?   443.479  -141.58      107.747    -141.58      154.732     38.4201      
1 1 1 14 1  22 o 0 412.6  28.6  ?    ?   825.456  3.2391       544.576    3.2391       54.862      3.2391       
1 1 1 14 1  23 o 0 99.9   10.7  ?    ?   578.259  60.762       155.362    60.762       205.895     -119.238     
1 1 1 14 1  24 o 0 126.9  12.4  ?    ?   378.405  -32.2772     331.804    -32.2772     95.3716     -32.2772     
1 1 1 14 1  25 o 0 -3.1   8.1   ?    ?   176.816  77.473       73.4761    -102.527     182.777     -102.527     
1 1 1 14 1  26 o 0 718.3  55.3  ?    ?   944.164  142.05       823.839    142.05       258.354     142.05       
1 1 1 14 1  27 o 0 32.4   8.8   ?    ?   221.757  -64.8345     110.349    -64.8345     13.8879     115.165      
1 1 1 14 1  28 o 0 84.4   12.1  ?    ?   455.371  155.484      194.052    155.484      57.8948     -24.5164     
1 1 1 14 1  29 o 0 95.5   12.6  ?    ?   416.318  64.7425      250.284    64.7425      30.958      64.7425      
1 1 1 14 1  30 o 0 144.8  18.1  ?    ?   339.499  -76.0805     396.507    -76.0805     222.545     -76.0805     
1 1 1 14 1  31 o 0 73.5   13.3  ?    ?   467.725  -78.7073     154.451    -78.7073     92.6878     101.293      
1 1 1 14 1  32 o 0 1.2    10.3  ?    ?   90.4797  94.8417      3.35536    -85.1583     61.7967     -85.1583     
1 1 1 14 1  33 o 0 49.9   12.6  ?    ?   274.603  -94.605      201.604    -94.605      23.499      -94.605      
1 1 1 14 1  34 o 0 39.2   10.2  ?    ?   275.789  140.249      154.437    140.249      21.9025     -39.7509     
1 1 1 14 1  35 o 0 6.9    8.3   ?    ?   65.0597  125.9        23.2069    125.9        16.7961     -54.1001     
1 1 1 14 1  36 o 0 14.2   8.1   ?    ?   121.07   -163.515     70.7908    -163.515     0.315992    16.4851      
1 1 1 14 1  37 o 0 -15.5  10.5  ?    ?   49.8459  178.606      3.00129    -1.39362     31.4134     -1.39362     
1 1 1 14 1  38 o 0 78.5   13    ?    ?   528.292  -85.2176     173.241    -85.2176     105.525     94.7824      
1 1 1 14 2  0  o 0 737.9  78.1  ?    ?   1321.85  -5.06853e-14 862.924    0            80.0647     180          
1 1 1 14 2  2  o 0 2.9    2     ?    ?   30.5293  156.105      17.6444    -23.8952     39.2113     -23.8952     
1 1 1 14 2  3  o 0 91.8   8     ?    ?   403.89   -161.029     263.673    -161.029     21.3998     18.9714      
1 1 1 14 2  4  o 0 1145   79.2  ?    ?   1281.02  -66.395      1192.45    -66.395      293.466     -66.395      
1 1 1 14 2  5  o 0 4.7    2     ?    ?   323.421  -61.9081     167.258    118.092      392.891     118.092      
1 1 1 14 2  6  o 0 63.1   5     ?    ?   338.776  72.7858      189.056    72.7858      45.8847     -107.214     
1 1 1 14 2  7  o 0 12     2.4   ?    ?   189.44   114.551      39.908     -65.4487     170.501     -65.4487     
1 1 1 14 2  8  o 0 24.6   3.2   ?    ?   335.895  -155.546     1.03313    24.4539      231.208     24.4539      
1 1 1 14 2  9  f 1 180.3  14.1  ?    ?   470.137  152.542      453.998    152.542      134.567     152.542      
1 1 1 14 2  10 o 0 89.1   6.9   ?    ?   253.12   110.868      308.543    110.868      137.139     110.868      
1 1 1 14 2  11 o 0 62.8   5.6   ?    ?   291.452  66.8778      201.275    66.8778      5.08421     66.8778      
1 1 1 14 2  12 o 0 1869.1 139.3 ?    ?   1842.51  148.7        1305.73    148.7        59.7378     148.7        
1 1 1 14 2  13 o 0 1861.7 128.8 ?    ?   1496.42  -92.4975     1528.98    -92.4975     523.146     -92.4975     
1 1 1 14 2  14 o 0 702.6  45.8  ?    ?   964.748  -23.3013     902.225    -23.3013     257.771     -23.3013     
1 1 1 14 2  15 o 0 131.6  9.9   ?    ?   376.413  -122.642     341.4      -122.642     109.707     -122.642     
1 1 1 14 2  16 o 0 306.4  20.7  ?    ?   721.888  -30.988      480.449    -30.988      37.6803     -30.988      
1 1 1 14 2  17 o 0 622.3  47.3  ?    ?   749.654  128.413      858.065    128.413      401.419     128.413      
1 1 1 14 2  18 o 0 271.3  24.1  ?    ?   629.376  81.3329      469.087    81.3329      88.459      81.3329      
1 1 1 14 2  19 o 0 122.3  12.3  ?    ?   478.787  -173.48      261.302    -173.48      25.451      6.52009      
1 1 1 14 2  20 o 0 160.2  15.2  ?    ?   274.859  143.284      433.702    143.284      270.392     143.284      
1 1 1 14 2  21 o 0 780.2  51.5  ?    ?   1120.76  -160.185     776.258    -160.185     115.931     -160.185     
1 1 1 14 2  22 o 0 92.7   10    ?    ?   405.113  122.609      217.425    122.609      21.8708     -57.3911     
1 1 1 14 2  23 o 0 106    11.2  ?    ?   406.621  -3.71592     264.435    -3.71592     11.4577     -3.71592     
1 1 1 14 2  24 o 0 137.4  13    ?    ?   496.466  28.3033      291.898    28.3033      17.0774     -151.697     
1 1 1 14 2  25 o 0 -4.9   8     ?    ?   58.2772  109.155      24.8907    -70.8446     60.7804     -70.8446     
1 1 1 14 2  26 o 0 275.1  26.4  ?    ?   566.657  -113.334     509.14     -113.334     170.961     -113.334     
1 1 1 14 2  27 o 0 9.7    8.1   ?    ?   160.264  136.542      8.73473    -43.4582     98.2187     -43.4582     
1 1 1 14 2  28 o 0 21.1   8.3   ?    ?   274.994  -101.011     28.2807    -101.011     123.384     78.9885      
1 1 1 14 2  29 o 0 55.3   10.9  ?    ?   383.531  -144.525     144.923    -144.525     56.5239     35.4748      
1 1 1 14 2  30 o 0 244.4  24.6  ?    ?   554.675  -68.2194     473.88     -68.2194     190.463     -68.2194     
1 1 1 14 2  31 f 1 105.5  19.8  ?    ?   518.005  43.6084      207.071    43.6084      65.2077     -136.392     
1 1 1 14 2  32 o 0 7.1    9.2   ?    ?   162.417  139.981      0.869632   139.981      103.777     -40.0187     
1 1 1 14 2  33 o 0 73     11.8  ?    ?   227.59   -6.60045     318.028    -6.60045     170.757     -6.60045     
1 1 1 14 2  34 o 0 45.6   10.7  ?    ?   343.26   13.8328      144.999    13.8328      74.0111     -166.167     
1 1 1 14 2  35 o 0 8.4    9.1   ?    ?   141.617  125.373      31.7937    125.373      55.1091     -54.6267     
1 1 1 14 2  36 o 0 71.2   12.5  ?    ?   311.102  -93.1792     260.509    -93.1792     78.1263     -93.1792     
1 1 1 14 2  37 o 0 35     10.1  ?    ?   263.595  87.5398      140.408    87.5398      9.59035     -92.4602     
1 1 1 14 2  38 o 0 8.5    8.7   ?    ?   175.238  169.435      49.568     169.435      34.2869     -10.5651     
1 1 1 14 3  0  o 0 507.6  66.1  ?    ?   1382.58  180          708.263    180          270.331     -7.56767e-14 
1 1 1 14 3  1  o 0 117.5  10    ?    ?   492.992  -176.339     292.507    -176.339     56.4303     3.6611       
1 1 1 14 3  2  o 0 74.8   6.1   ?    ?   408.647  64.9908      201.281    64.9908      86.4826     -115.009     
1 1 1 14 3  3  o 0 140.1  10.8  ?    ?   682.085  -144.428     233.055    -144.428     244.652     35.572       
1 1 1 14 3  4  o 0 666.6  50    ?    ?   1143.68  110.851      787.438    110.851      9.0289      -69.1495     
1 1 1 14 3  5  o 0 458    31.9  ?    ?   872.028  55.5344      696.789    55.5344      93.0031     55.5344      
1 1 1 14 3  6  o 0 68.4   5.4   ?    ?   441.66   -115.691     155.145    -115.691     148.877     64.3087      
1 1 1 14 3  7  f 1 3.4    2.3   ?    ?   27.4737  178.339      14.6808    -1.66091     33.4342     -1.66091     
1 1 1 14 3  8  o 0 43.2   4.1   ?    ?   316.259  68.0177      109.077    68.0177      106.101     -111.982     
1 1 1 14 3  9  f 1 1660.1 114.8 ?    ?   1392.59  13.0836      1488.52    13.0836      548.917     13.0836      
1 1 1 14 3  10 f 1 92.9   7.2   ?    ?   654.134  -119.896     109.943    -119.896     328.875     60.1038      
1 1 1 14 3  11 o 0 139.1  11.2  ?    ?   514.108  -156.084     321.967    -156.084     21.8138     23.9157      
1 1 1 14 3  12 o 0 98.9   8.4   ?    ?   382.984  -124.597     277.645    -124.597     20.3217     -124.597     
1 1 1 14 3  13 o 0 893.7  62.3  ?    ?   910.766  9.95797      1134.24    9.95797      525.898     9.95797      
1 1 1 14 3  14 o 0 549.8  41.6  ?    ?   1222.64  118.643      509.884    118.643      242.888     -61.3568     
1 1 1 14 3  15 o 0 23     4.3   ?    ?   322.264  -106.082     8.47086    73.9185      205.66      73.9185      
1 1 1 14 3  16 o 0 128    9.8   ?    ?   707.308  123.741      152.223    123.741      279.115     -56.2594     
1 1 1 14 3  17 o 0 990.4  69    ?    ?   1050.73  -91.9865     1023.81    -91.9865     387.317     -91.9865     
1 1 1 14 3  18 f 1 566.6  53.2  ?    ?   947.147  39.1066      670.796    39.1066      102.534     39.1066      
1 1 1 14 3  19 o 0 35.5   7.4   ?    ?   368.579  31.1304      39.9044    31.1304      179.696     -148.87      
1 1 1 14 3  20 o 0 8.4    6.8   ?    ?   160.063  -112.3       43.656     67.7003      138.282     67.7003      
1 1 1 14 3  21 o 0 59.5   8.9   ?    ?   503.237  0.492877     68.6768    0.492877     226.382     -179.507     
1 1 1 14 3  22 o 0 112.2  11.4  ?    ?   238.311  -172.693     332.175    -172.693     192.064     -172.693     
1 1 1 14 3  23 f 1 111.8  12.5  ?    ?   366.83   6.51224      298.146    6.51224      71.5333     6.51224      
1 1 1 14 3  24 o 0 17.7   8     ?    ?   154.329  -10.1792     11.8087    -10.1792     83.8228     169.821      
1 1 1 14 3  25 o 0 650.5  56.6  ?    ?   1054.77  11.0375      677.993    11.0375      31.1146     11.0375      
1 1 1 14 3  26 o 0 132.5  13    ?    ?   421.134  70.9208      322.361    70.9208      72.0306     70.9208      
1 1 1 14 3  27 o 0 83     10.8  ?    ?   556.867  163.629      140.768    163.629      168.974     -16.3709     
1 1 1 14 3  28 o 0 30     8.9   ?    ?   155.427  -60.8337     102.356    -60.8337     16.9483     -60.8337     
1 1 1 14 3  29 o 0 141.1  18.5  ?    ?   572.141  142.144      277.294    142.144      22.1718     -37.8555     
1 1 1 14 3  30 o 0 202.1  23.4  ?    ?   570.38   -123.334     393.502    -123.334     103.029     -123.334     
1 1 1 14 3  31 o 0 123.1  17    ?    ?   497.921  145.931      261.141    145.931      0.424951    -34.069      
1 1 1 14 3  32 o 0 19.6   12.4  ?    ?   171.028  -85.7979     85.3927    -85.7979     26.6808     94.2021      
1 1 1 14 3  33 f 1 23.8   10    ?    ?   77.1762  109.226      103.653    109.226      53.984      109.226      
1 1 1 14 3  34 o 0 28.5   9     ?    ?   152.345  -61.0905     149.996    -61.0905     53.0584     -61.0905     
1 1 1 14 3  35 o 0 13.2   8.4   ?    ?   87.0809  -91.8409     58.3473    -91.841      5.0472      -91.841      
1 1 1 14 3  36 o 0 29.2   10.8  ?    ?   132.946  -13.6184     154.238    -13.6184     76.4873     -13.6184     
1 1 1 14 3  37 o 0 2.9    9.7   ?    ?   48.9518  107.087      18.5279    107.087      9.26474     -72.9135     
1 1 1 14 3  38 o 0 72     9.9   ?    ?   321.111  63.8356      283.564    63.8356      130.232     63.8356      
1 1 1 14 4  0  o 0 585.4  62.1  ?    ?   1311.4   180          758.137    180          166.8       3.18922e-14  
1 1 1 14 4  1  o 0 239.6  18.1  ?    ?   762.701  42.6496      409.14     42.6496      126.343     -137.35      
1 1 1 14 4  2  o 0 26.4   2.9   ?    ?   206.977  -109.483     48.8595    -109.483     95.7309     70.5166      
1 1 1 14 4  3  o 0 230.9  17.5  ?    ?   601.186  32.7188      491.61     32.7188      73.861      32.7188      
1 1 1 14 4  4  o 0 78     6.4   ?    ?   565.159  -0.958502    117.38     -0.958502    273.172     179.042      
1 1 1 14 4  5  f 1 95.5   7.1   ?    ?   559.025  149.062      179.607    149.062      203.549     -30.9375     
1 1 1 14 4  6  o 0 37.5   3.4   ?    ?   261.336  134.223      99.2036    134.223      79.3607     -45.7767     
1 1 1 14 4  7  o 0 -1.3   2.3   ?    ?   112.71   -107.891     70.7758    72.1093      147.351     72.1093      
1 1 1 14 4  8  o 0 669.9  46.5  ?    ?   1056.71  89.787       828.749    89.787       114.865     89.787       
1 1 1 14 4  9  o 0 551.7  38.5  ?    ?   995.479  34.1293      722.176    34.1293      53.4297     34.1293      
1 1 1 14 4  10 o 0 83.4   6.7   ?    ?   411.827  -140.889     218.707    -140.889     56.4042     39.1115      
1 1 1 14 4  11 o 0 0.1    3     ?    ?   215.674  -154.25      126.634    25.7498      271.427     25.7498      
1 1 1 14 4  12 o 0 832    57.8  ?    ?   1197.98  -30.3594     886.286    -30.3594     86.5612     -30.3594     
1 1 1 14 4  13 o 0 381.3  29.2  ?    ?   963.772  49.2874      487.783    49.2874      151.914     -130.713     
1 1 1 14 4  14 o 0 759.5  53    ?    ?   971.599  -162.403     877.785    -162.403     283.248     -162.403     
1 1 1 14 4  15 o 0 50     5.8   ?    ?   285.9    43.1205      130.853    43.1205      43.0392     -136.879     
1 1 1 14 4  16 o 0 576.5  47.8  ?    ?   981.822  152.426      668.681    152.426      73.4303     152.426      
1 1 1 14 4  17 o 0 200.1  16.3  ?    ?   716.216  -13.8268     295.861    -13.8268     135.525     166.173      
1 1 1 14 4  18 o 0 101.1  10.8  ?    ?   407.981  -112.691     239.887    -112.691     4.16169     67.3089      
1 1 1 14 4  19 o 0 244.9  22.5  ?    ?   633.294  48.5128      416.622    48.5128      41.3386     48.5128      
1 1 1 14 4  20 o 0 77.9   9.7   ?    ?   335.862  92.361       205.555    92.361       8.04302     92.361       
1 1 1 14 4  21 o 0 202.3  20.1  ?    ?   640.155  15.47        330.906    15.47        46.8247     -164.53      
1 1 1 14 4  22 o 0 1058.9 87.4  ?    ?   1257.25  -57.9973     894.579    -57.9973     159.061     -57.9973     
1 1 1 14 4  23 o 0 76.7   9.3   ?    ?   314.519  173.887      225.386    173.887      29.5223     173.887      
1 1 1 14 4  24 o 0 22     8.5   ?    ?   178.97   -39.9548     32.6286    -39.9548     77.7559     140.045      
1 1 1 14 4  25 o 0 137.3  12.9  ?    ?   405.637  123.373      343.631    123.373      100.964     123.373      
1 1 1 14 4  26 o 0 212.1  17.4  ?    ?   653.322  -93.6235     354.164    -93.6235     32.4888     86.3765      
1 1 1 14 4  27 o 0 60.2   10.8  ?    ?   279.243  -122.819     200.102    -122.819     45.4363     -122.819     
1 1 1 14 4  28 o 0 21.9   12.6  ?    ?   294.614  67.2585      32.823     67.2585      122.729     -112.741     
1 1 1 14 4  29 o 0 12.8   9.6   ?    ?   208.508  -44.7217     7.9189     -44.7217     100.787     135.278      
1 1 1 14 4  30 o 0 133.7  15.6  ?    ?   624.945  77.685       238.851    77.685       78.2017     -102.315     
1 1 1 14 4  31 o 0 19.2   8.9   ?    ?   205.135  -97.2055     53.4819    -97.2055     53.8846     82.7945      
1 1 1 14 4  32 f 1 -5.1   8.8   ?    ?   148      -87.8483     33.6663    92.1517      130.06      92.1517      
1 1 1 14 4  33 o 0 21     10.7  ?    ?   69.8457  128.857      89.281     128.857      44.2673     128.857      
1 1 1 14 4  34 o 0 72.4   10.3  ?    ?   345.006  100.782      255.125    100.782      41.0655     100.782      
1 1 1 14 4  35 o 0 26.5   8.3   ?    ?   195.443  -95.0163     131.966    -95.0163     16.0041     -95.0163     
1 1 1 14 4  36 f 1 20.6   9     ?    ?   151.869  125.401      110.642    125.401      23.3159     125.401      
1 1 1 14 4  37 o 0 3.9    8.2   ?    ?   74.4717  -104.242     30.2013    -104.242     9.58779     75.758       
1 1 1 14 4  38 o 0 -2.2   8.3   ?    ?   86.4632  -4.45832     24.1906    -4.45832     16.9834     175.542      
1 1 1 14 5  0  o 0 424.7  45.5  ?    ?   860.907  -6.34715e-14 641.682    0            39.542      9.66534e-13  
1 1 1 14 5  1  o 0 176    13.5  ?    ?   982.767  -8.23155     121.715    -8.23155     562.622     171.768      
1 1 1 14 5  2  o 0 117.1  9.2   ?    ?   699.752  -103.978     156.222    -103.978     328.688     76.0223      
1 1 1 14 5  3  o 0 49.2   4.5   ?    ?   397.967  -21.7251     100.346    -21.7251     174.02      158.275      
1 1 1 14 5  4  o 0 419    29.3  ?    ?   879.551  -87.3418     628.758    -87.3418     25.6068     -87.3418     
1 1 1 14 5  5  o 0 255.8  16.9  ?    ?   912.423  161.482      332.364    161.482      289.929     -18.5183     
1 1 1 14 5  6  f 1 115.9  7.9   ?    ?   578.892  18.2231      225.949    18.2231      165.694     -161.777     
1 1 1 14 5  7  o 0 76.3   5.6   ?    ?   748.347  135.189      4.73565    -44.8111     509.54      -44.8111     
1 1 1 14 5  8  o 0 302.1  21.2  ?    ?   721.836  -29.6713     531.748    -29.6713     47.4923     -29.6713     
1 1 1 14 5  9  o 0 549.4  36    ?    ?   924.205  -59.9313     761.355    -59.9313     144.718     -59.9313     
1 1 1 14 5  10 o 0 72.2   6.1   ?    ?   559.843  64.6045      96.0276    64.6045      275.471     -115.395     
1 1 1 14 5  11 f 1 132.4  10.1  ?    ?   337.571  -14.0698     391.06     -14.0698     166.488     -14.0698     
1 1 1 14 5  12 o 0 89.8   7.5   ?    ?   538.071  -11.4541     161.156    -11.4541     195.748     168.546      
1 1 1 14 5  13 o 0 2004.6 138.7 ?    ?   1939.33  162.421      1207.68    162.421      21.4618     162.421      
1 1 1 14 5  14 o 0 51     5.7   ?    ?   146.356  122.341      137.976    122.341      48.9673     122.341      
1 1 1 14 5  15 o 0 73.9   7.4   ?    ?   468.071  33.1431      135.17     33.1431      148.678     -146.857     
1 1 1 14 5  16 o 0 93.7   9.1   ?    ?   583.207  173.938      131.687    173.938      219.811     -6.06247     
1 1 1 14 5  17 f 1 505.2  38.6  ?    ?   769.719  177.462      703.528    177.462      243.78      177.462      
1 1 1 14 5  18 o 0 107.7  13.1  ?    ?   593.998  40.9313      162.073    40.9313      190.474     -139.069     
1 1 1 14 5  19 o 0 17     7.4   ?    ?   220.877  -59.2197     15.6732    120.78       145.836     120.78       
1 1 1 14 5  20 o 0 124.1  14    ?    ?   558.381  63.78        218.062    63.78        108.524     -116.22      
1 1 1 14 5  21 o 0 133.2  13.6  ?    ?   518.43   -153.114     257.244    -153.114     47.0348     26.8859      
1 1 1 14 5  22 o 0 240.9  18.2  ?    ?   590.638  -92.0166     446.274    -92.0166     80.8081     -92.0166     
1 1 1 14 5  23 o 0 177.8  14.8  ?    ?   507.073  -166.165     371.391    -166.165     57.2212     -166.165     
1 1 1 14 5  24 o 0 34     8     ?    ?   74.4329  21.2242      65.3634    21.2242      19.683      21.2242      
1 1 1 14 5  25 o 0 483.1  38.9  ?    ?   1065.09  -117.902     502.13     -117.902     131.96      62.0979      
1 1 1 14 5  26 o 0 113.2  11.9  ?    ?   555.566  -136.199     202.45     -136.199     124.794     43.8015      
1 1 1 14 5  27 o 0 170    15.4  ?    ?   444.688  25.8396      397.933    25.8396      152.767     25.8396      
1 1 1 14 5  28 o 0 44.5   10.3  ?    ?   307.889  12.825       137.916    12.825       23.9159     -167.175     
1 1 1 14 5  29 o 0 136.4  15.6  ?    ?   619.749  -59.4526     243.087    -59.4526     78.6091     120.547      
1 1 1 14 5  30 o 0 30.5   9.7   ?    ?   298.371  175.228      84.7247    175.228      66.0045     -4.77241     
1 1 1 14 5  31 o 0 88.9   12.2  ?    ?   380.033  4.39565      294.197    4.39565      48.3669     4.39565      
1 1 1 14 5  32 o 0 10.3   9.6   ?    ?   199.088  66.7208      18.0279    66.7208      111.453     -113.279     
1 1 1 14 5  33 o 0 22.2   10.3  ?    ?   167.511  129.346      103.627    129.346      3.90976     -50.6538     
1 1 1 14 5  34 o 0 89.3   13.2  ?    ?   233.512  81.1877      363.203    81.1877      218.866     81.1877      
1 1 1 14 5  35 o 0 95.9   11.4  ?    ?   483.012  -11.7203     250.434    -11.7203     35.108      168.28       
1 1 1 14 5  36 o 0 8.8    8.9   ?    ?   38.722   -151.054     28.8284    -151.054     6.58433     -151.054     
1 1 1 14 5  37 o 0 10.1   7.6   ?    ?   84.2157  6.92762      58.0286    6.92763      13.1867     6.92763      
1 1 1 14 5  38 o 0 16.1   8.5   ?    ?   149.3    -112.834     96.4027    -112.834     25.5397     -112.834     
1 1 1 14 6  0  o 0 77.4   9     ?    ?   517.352  -4.71423e-14 271.687    0            87.1034     180          
1 1 1 14 6  1  o 0 779    58.2  ?    ?   1199.26  -174.836     871.288    -174.836     43.0867     -174.836     
1 1 1 14 6  2  o 0 72.5   6.1   ?    ?   469.525  71.7462      154.211    71.7462      168.543     -108.254     
1 1 1 14 6  3  o 0 188    13.4  ?    ?   651.713  -153.389     362.037    -153.389     83.7543     26.6106      
1 1 1 14 6  4  o 0 766.8  53.2  ?    ?   1184.57  116.747      857.806    116.747      51.6576     116.747      
1 1 1 14 6  5  o 0 282.6  18.6  ?    ?   462.67   139.639      660.344    139.639      347.124     139.639      
1 1 1 14 6  6  o 0 35     3.5   ?    ?   197.924  17.3564      94.0626    17.3564      39.22       -162.644     
1 1 1 14 6  7  o 0 91     6.9   ?    ?   410.172  118.277      244.817    118.277      29.9286     -61.7232     
1 1 1 14 6  8  o 0 129.5  9     ?    ?   531.765  -90.2779     285.901    -90.2779     68.4022     89.7221      
1 1 1 14 6  9  o 0 643.3  41.9  ?    ?   938.647  -60.371      860.858    -60.371      238.774     -60.371      
1 1 1 14 6  10 o 0 26.6   3.5   ?    ?   126.71   41.4448      42.8316    41.4448      41.5878     -138.555     
1 1 1 14 6  11 o 0 7.8    2.9   ?    ?   144      14.2333      52.2666    -165.767     147.694     -165.767     
1 1 1 14 6  12 o 0 368.7  24.4  ?    ?   868.7    123.668      526.528    123.668      46.0447     -56.3317     
1 1 1 14 6  13 f 1 590.9  41.5  ?    ?   808.713  7.61879      794.646    7.61879      304.318     7.61879      
1 1 1 14 6  14 o 0 33     4.7   ?    ?   151.325  158.054      68.7232    158.054      22.7444     -21.9463     
1 1 1 14 6  15 o 0 111    9.2   ?    ?   336.132  151.006      300.109    151.006      97.4994     151.006      
1 1 1 14 6  16 o 0 72.1   7.9   ?    ?   326.5    -55.938      192.062    -55.938      3.55086     124.062      
1 1 1 14 6  17 o 0 231.3  23.4  ?    ?   691.651  -98.3464     360.421    -98.3464     51.3383     81.6536      
1 1 1 14 6  18 o 0 508.7  48.1  ?    ?   852.729  -23.1578     647.32     -23.1578     144.131     -23.1578     
1 1 1 14 6  19 o 0 151.2  15    ?    ?   259.767  -163.827     413.23     -163.827     261.019     -163.827     
1 1 1 14 6  20 o 0 130.1  13.1  ?    ?   610.746  -85.2897     201.72     -85.2897     157.588     94.7103      
1 1 1 14 6  21 o 0 184.3  16.8  ?    ?   563.935  31.9353      335.653    31.9353      6.49247     31.9353      
1 1 1 14 6  22 o 0 579.4  39.1  ?    ?   1194.01  93.753       543.415    93.753       191.384     -86.247      
1 1 1 14 6  23 o 0 8.7    8.2   ?    ?   305.321  147.836      83.1797    -32.1644     271.338     -32.1644     
1 1 1 14 6  24 o 0 17.8   7.3   ?    ?   170.961  131.777      10.435     131.777      93.9349     -48.2229     
1 1 1 14 6  25 o 0 358.9  25.9  ?    ?   733.813  133.426      536.826    133.426      102.214     133.426      
1 1 1 14 6  26 o 0 92.6   11.2  ?    ?   599.092  170.709      145.206    170.709      187.134     -9.29057     
1 1 1 14 6  27 o 0 146.7  14.7  ?    ?   381.465  -72.3772     377.764    -72.3772     168.5       -72.3772     
1 1 1 14 6  28 o 0 26.9   8.8   ?    ?   275.835  125.495      68.5839    125.495      75.6926     -54.5047     
1 1 1 14 6  29 o 0 16.1   9.7   ?    ?   378.843  145.211      26.6286    -34.7885     219.623     -34.7885     
1 1 1 14 6  30 o 0 138.1  13.6  ?    ?   642.983  -145.866     238.525    -145.866     84.7751     34.1341      
1 1 1 14 6  31 o 0 26.4   9     ?    ?   191.443  81.1348      117.638    81.1348      5.63328     -98.8652     
1 1 1 14 6  32 o 0 4.7    9.6   ?    ?   91.8604  28.0541      13.1084    28.0541      46.368      -151.946     
1 1 1 14 6  33 o 0 7.3    9.6   ?    ?   152.366  -147.382     19.936     -147.382     77.4509     32.6185      
1 1 1 14 6  34 o 0 16     9.4   ?    ?   182.185  -107.081     65.15      -107.081     46.9812     72.9187      
1 1 1 14 6  35 o 0 116.4  13.6  ?    ?   512.544  -3.42272     286.375    -3.42272     15.3643     176.577      
1 1 1 14 6  36 o 0 29.7   9.2   ?    ?   207.496  -77.376      141.511    -77.376      22.7978     -77.376      
1 1 1 14 6  37 o 0 2.3    7.3   ?    ?   117.905  5.00111      16.3422    5.00111      46.1898     -174.999     
1 1 1 14 6  38 o 0 25.2   8.4   ?    ?   231.74   -62.0819     122.279    -62.0819     12.7099     -62.0819     
1 1 1 14 7  0  f 1 121.8  13.8  ?    ?   602.232  -180         338.873    180          74.1564     8.24578e-14  
1 1 1 14 7  1  o 0 972.2  72.6  ?    ?   1258.3   34.9126      1021.31    34.9126      159.526     34.9126      
1 1 1 14 7  2  f 1 54.5   4.9   ?    ?   208.881  102.346      186.607    102.346      44.539      102.346      
1 1 1 14 7  3  o 0 171.9  14.6  ?    ?   637.704  49.1591      331.113    49.1591      101.708     -130.841     
1 1 1 14 7  4  o 0 344.5  24.3  ?    ?   614.127  -115.183     673.706    -115.183     258.914     -115.183     
1 1 1 14 7  5  o 0 232.2  15.6  ?    ?   711.325  -28.3762     410.753    -28.3762     67.2882     151.624      
1 1 1 14 7  6  o 0 76     5.6   ?    ?   313.397  93.3351      240.472    93.3351      30.9247     93.3351      
1 1 1 14 7  7  o 0 43.5   3.8   ?    ?   354.512  -17.2637     92.1262    -17.2637     143.699     162.736      
1 1 1 14 7  8  o 0 455.8  31.9  ?    ?   946.223  168.423      610.845    168.423      22.0201     -11.5766     
1 1 1 14 7  9  o 0 339    24    ?    ?   734.266  98.4686      569.718    98.4686      81.1477     98.4686      
1 1 1 14 7  10 o 0 156.7  10.8  ?    ?   550.861  -59.7513     332.614    -59.7513     32.0237     120.249      
1 1 1 14 7  11 o 0 93.9   7.1   ?    ?   563.711  86.715       157.642    86.715       213.551     -93.285      
1 1 1 14 7  12 o 0 256    17.2  ?    ?   664.325  65.2422      430.156    65.2422      26.6429     65.2422      
1 1 1 14 7  13 o 0 639.9  42    ?    ?   1137.66  -10.8162     649.828    -10.8162     37.4507     169.184      
1 1 1 14 7  14 o 0 573.2  37.7  ?    ?   1152.28  -37.0561     563.973    -37.0561     130.385     142.944      
1 1 1 14 7  15 o 0 89.8   9.5   ?    ?   445.897  -136.542     191.35     -136.542     75.7992     43.4578      
1 1 1 14 7  16 o 0 378    32    ?    ?   984.776  -4.24908     416.614    -4.24908     169.858     175.751      
1 1 1 14 7  17 o 0 232.6  20.9  ?    ?   640.133  -140.446     391.023    -140.446     13.0088     -140.446     
1 1 1 14 7  18 f 1 1051.2 97.2  ?    ?   1329.45  -142.257     868.63     -142.257     90.7419     -142.257     
1 1 1 14 7  19 o 0 146.4  14.6  ?    ?   364.74   65.8525      361.67     65.8525      149.194     65.8525      
1 1 1 14 7  20 o 0 128    13.1  ?    ?   590.576  -78.2498     206.54     -78.2497     138.898     101.75       
1 1 1 14 7  21 o 0 21.6   8.3   ?    ?   135.092  173.087      24.6917    173.087      58.6646     -6.91344     
1 1 1 14 7  22 o 0 47.3   8     ?    ?   255.089  106.255      143.701    106.255      14.0065     -73.7453     
1 1 1 14 7  23 o 0 332.3  25.1  ?    ?   598.174  6.21166      574.421    6.21166      207.85      6.21166      
1 1 1 14 7  24 f 1 82.3   9.9   ?    ?   395.028  169.807      208.139    169.807      26.2574     -10.1926     
1 1 1 14 7  25 o 0 4.2    7.5   ?    ?   90.342   -97.3257     22.6253    82.6743      75.8394     82.6743      
1 1 1 14 7  26 o 0 424    30.2  ?    ?   851.504  -18.9289     571.374    -18.9289     101.558     -18.9289     
1 1 1 14 7  27 o 0 58.1   10.9  ?    ?   378.537  101.46       157.208    101.46       42.0684     -78.5398     
1 1 1 14 7  28 o 0 50.4   10.1  ?    ?   309.536  155.474      157.325    155.474      3.72941     -24.5257     
1 1 1 14 7  29 o 0 177.1  18.4  ?    ?   615.187  93.2881      329.042    93.2881      17.2676     93.2881      
1 1 1 14 7  30 o 0 25.8   8.1   ?    ?   19.4573  -112.887     27.2477    -112.887     17.0647     -112.887     
1 1 1 14 7  31 o 0 13.5   8.2   ?    ?   58.3903  128.399      39.9355    128.399      1.7731      128.399      
1 1 1 14 7  32 o 0 4.7    9.9   ?    ?   68.7787  -112.505     13.0426    -112.505     31.2699     67.495       
1 1 1 14 7  33 o 0 10.2   11.8  ?    ?   68.6146  49.1124      39.6646    49.1124      3.9793      -130.888     
1 1 1 14 7  34 f 1 88.3   13.6  ?    ?   398.749  141.755      265.947    141.755      22.3195     141.755      
1 1 1 14 7  35 o 0 57.2   9.6   ?    ?   142.738  -142.804     292.31     -142.804     208.671     -142.804     
1 1 1 14 7  36 o 0 5.2    9.5   ?    ?   135.238  -59.7724     27.0591    -59.7724     49.9602     120.228      
1 1 1 14 7  37 o 0 6.4    10.1  ?    ?   126.14   123.796      59.1497    123.796      1.33866     -56.2039     
1 1 1 14 8  1  o 0 245.6  18.8  ?    ?   441.969  -176.321     604.686    -176.321     304.508     -176.321     
1 1 1 14 8  2  o 0 9.5    2.3   ?    ?   342.306  -123.965     119.765    56.0346      351.308     56.0346      
1 1 1 14 8  3  o 0 89.4   6.9   ?    ?   292.904  26.7678      295.462    26.7678      98.2027     26.7678      
1 1 1 14 8  4  o 0 465.8  35.2  ?    ?   539.155  -154.867     894.218    -154.867     532.786     -154.867     
1 1 1 14 8  5  f 1 679.2  47.2  ?    ?   1255.2   2.75041      703.509    2.75041      131.78      -177.25      
1 1 1 14 8  6  o 0 104.7  7.4   ?    ?   530.669  -64.1806     212.695    -64.1806     143.385     115.819      
1 1 1 14 8  7  o 0 9.4    2.5   ?    ?   142.179  51.3235      41.7024    -128.676     136.635     -128.676     
1 1 1 14 8  8  o 0 75.9   5.9   ?    ?   181.553  32.0726      255.55     32.0726      134.93      32.0726      
1 1 1 14 8  9  o 0 1327.8 86    ?    ?   1443.49  -104.613     1157.97    -104.613     203.751     -104.613     
1 1 1 14 8  10 o 0 52.5   4.7   ?    ?   357.202  20.5686      115.272    20.5686      102.591     -159.431     
1 1 1 14 8  11 o 0 13.1   3.4   ?    ?   197.256  84.9108      32.4394    -95.0892     152.132     -95.0892     
1 1 1 14 8  12 o 0 86.8   7.6   ?    ?   646.754  -47.2337     78.8605    -47.2337     311.534     132.766      
1 1 1 14 8  13 f 1 1050.5 73.2  ?    ?   1534.83  -115.642     783.752    -115.642     138.189     64.3578      
1 1 1 14 8  14 o 0 249.5  18.1  ?    ?   564.842  -39.0594     465.125    -39.0594     126.835     -39.0594     
1 1 1 14 8  15 o 0 13.8   4.6   ?    ?   203.853  -28.8102     31.7666    151.19       153.159     151.19       
1 1 1 14 8  16 o 0 4.3    4.6   ?    ?   202.592  88.2572      82.2664    -91.7428     201.93      -91.7428     
1 1 1 14 8  17 o 0 475    44.9  ?    ?   1075.93  -142.354     479.008    -142.354     152.534     37.6462      
1 1 1 14 8  18 o 0 308.3  35.5  ?    ?   793.129  -164.741     417.573    -164.741     44.912      15.2593      
1 1 1 14 8  19 o 0 22     8.6   ?    ?   217.704  47.7203      18.2679    47.7203      109.251     -132.28      
1 1 1 14 8  20 o 0 97     11.4  ?    ?   191.484  -39.7263     295.819    -39.7263     184.482     -39.7263     
1 1 1 14 8  21 f 1 79.8   10.5  ?    ?   536.61   9.60887      118.885    9.60886      209.419     -170.391     
1 1 1 14 8  22 o 0 715.6  50.8  ?    ?   976.349  -41.3562     800.121    -41.3562     200.045     -41.3562     
1 1 1 14 8  23 o 0 92.8   10.5  ?    ?   519.537  147.18       162.487    147.18       154.034     -32.82       
1 1 1 14 8  24 o 0 30.6   8.1   ?    ?   184.726  -34.9894     94.3282    -34.9894     14.9267     145.011      
1 1 1 14 8  25 o 0 5.6    8     ?    ?   133.018  99.2946      20.2422    -80.7054     93.9811     -80.7054     
1 1 1 14 8  26 o 0 39.6   8.9   ?    ?   284.76   36.5455      119.906    36.5455      36.3116     -143.455     
1 1 1 14 8  27 o 0 25.4   9.4   ?    ?   67.6792  54.4866      55.7723    54.4866      20.3454     54.4866      
1 1 1 14 8  28 o 0 23.3   8.8   ?    ?   116.54   -72.1493     77.1919    -72.1493     17.7321     -72.1493     
1 1 1 14 8  29 f 1 -3.7   8.9   ?    ?   254.487  -100.35      64.5794    79.6496      192.506     79.6496      
1 1 1 14 8  30 o 0 9.1    8.4   ?    ?   217.833  -167.056     8.04129    12.9441      148.743     12.9441      
1 1 1 14 8  31 o 0 32.7   8.9   ?    ?   130.68   21.0958      182.531    21.0958      97.5868     21.0958      
1 1 1 14 8  32 o 0 10.9   8.9   ?    ?   41.6592  104.214      25.4692    104.214      1.28533     -75.7855     
1 1 1 14 8  33 f 1 14.9   10.4  ?    ?   191.864  94.1682      54.1452    94.1682      64.3035     -85.8318     
1 1 1 14 8  34 o 0 31     10.4  ?    ?   157.811  -133.807     162.165    -133.807     68.6562     -133.807     
1 1 1 14 8  35 o 0 32     8.9   ?    ?   134.781  136.112      187.92     136.112      110.24      136.112      
1 1 1 14 8  36 o 0 12.6   9.6   ?    ?   125.117  85.2829      74.1956    85.2829      7.29116     85.2829      
1 1 1 14 8  37 o 0 4.5    8.1   ?    ?   70.4431  -77.5239     43.7125    -77.5239     10.1019     -77.5239     
1 1 1 14 9  0  o 0 162.8  18.4  ?    ?   87.4813  2.18522e-14  253.691    0            194.574     -6.63925e-15 
1 1 1 14 9  1  f 1 1172.7 81.1  ?    ?   1488.19  -112.461     1042.63    -112.461     42.9059     -112.461     
1 1 1 14 9  2  f 1 73.3   5.9   ?    ?   276.281  81.4872      245.298    81.4872      60.3994     81.4872      
1 1 1 14 9  3  o 0 434.9  30.4  ?    ?   1002.59  -93.6523     550.529    -93.6523     126.56      86.3477      
1 1 1 14 9  4  o 0 2042.6 141.1 ?    ?   1673.68  96.569       1528.99    96.569       403.569     96.569       
1 1 1 14 9  5  o 0 655.3  42.7  ?    ?   1138.98  98.2886      737.568    98.2886      24.868      -81.7114     
1 1 1 14 9  6  o 0 347.6  22.8  ?    ?   899.121  -95.8826     480.078    -95.8826     119.007     84.1174      
1 1 1 14 9  7  o 0 142.6  10.5  ?    ?   666.877  -137.45      229.242    -137.45      212.998     42.5502      
1 1 1 14 9  8  o 0 450.8  29.5  ?    ?   860.488  -82.4517     650.85     -82.4517     82.9577     -82.4517     
1 1 1 14 9  9  o 0 264.1  17.8  ?    ?   615.671  -75.8869     472.119    -75.8869     97.1569     -75.8869     
1 1 1 14 9  10 o 0 103.5  8.3   ?    ?   452.758  55.2263      229.203    55.2263      45.1748     -124.774     
1 1 1 14 9  11 o 0 143.6  11.1  ?    ?   672.988  -84.1133     206.115    -84.1133     200.91      95.8867      
1 1 1 14 9  12 o 0 93     7.7   ?    ?   636.206  -85.1733     100.731    -85.1733     282.064     94.8267      
1 1 1 14 9  13 o 0 785.6  59.4  ?    ?   1096.45  153.173      804.235    153.173      148.02      153.173      
1 1 1 14 9  14 o 0 143.3  11.3  ?    ?   629.342  134.406      226.008    134.406      148.585     -45.5937     
1 1 1 14 9  15 o 0 2.4    4.6   ?    ?   52.264   -8.6445      23.1231    171.355      54.0541     171.355      
1 1 1 14 9  16 o 0 30     6.8   ?    ?   262.072  -43.6455     49.6812    -43.6455     104.164     136.355      
1 1 1 14 9  17 o 0 37.8   10.2  ?    ?   258.988  -141.115     85.1919    -141.115     65.8947     38.8848      
1 1 1 14 9  18 o 0 256.4  19.9  ?    ?   737.343  116.711      367.853    116.711      64.3945     -63.2892     
1 1 1 14 9  19 o 0 157.5  15.7  ?    ?   395.911  -109.81      367.501    -109.81      137.018     -109.81      
1 1 1 14 9  20 o 0 76.5   10.5  ?    ?   275.097  46.0646      234.473    46.0646      65.4502     46.0646      
1 1 1 14 9  21 o 0 281.8  24.2  ?    ?   696.692  -171.363     443.115    -171.363     14.0007     -171.363     
1 1 1 14 9  22 o 0 412.5  30.6  ?    ?   533.09   163.91       717.974    163.91       392.333     163.91       
1 1 1 14 9  23 o 0 59.9   9.1   ?    ?   245.269  -95.1915     201.839    -95.1915     56.3127     -95.1915     
1 1 1 14 9  24 o 0 16.9   7.5   ?    ?   88.8361  -150.551     17.6859    -150.551     34.5357     29.4485      
1 1 1 14 9  25 o 0 58.9   9.2   ?    ?   499.975  -97.991      94.5055    -97.991      180.976     82.009       
1 1 1 14 9  26 o 0 104.4  12.7  ?    ?   405.201  -1.60272     278.014    -1.60272     64.8498     -1.60272     
1 1 1 14 9  27 o 0 48.8   9.4   ?    ?   241.696  -105.877     176.23     -105.877     50.4745     -105.877     
1 1 1 14 9  28 o 0 22     8.7   ?    ?   196.598  -65.6438     69.3479    -65.6438     30.3586     114.356      
1 1 1 14 9  29 o 0 36     8.6   ?    ?   189.414  -23.4995     146.74     -23.4995     47.4655     -23.4995     
1 1 1 14 9  30 o 0 130.4  14    ?    ?   438.543  -110.266     376.745    -110.266     95.1556     -110.266     
1 1 1 14 9  31 o 0 39.2   8.4   ?    ?   206.681  111.3        193.607    111.3        60.0474     111.3        
1 1 1 14 9  32 o 0 21     9.4   ?    ?   147.792  17.2288      102.52     17.2288      8.1558      17.2288      
1 1 1 14 9  33 f 1 53.1   10.3  ?    ?   231.013  -81.0968     241.405    -81.0968     99.6084     -81.0968     
1 1 1 14 9  34 o 0 23.9   9.7   ?    ?   245.581  56.396       86.4101    56.396       58.275      -123.604     
1 1 1 14 9  35 o 0 46.6   10.2  ?    ?   250.109  96.4777      203.655    96.4777      60.3199     96.4777      
1 1 1 14 9  36 o 0 5.9    10.1  ?    ?   145.528  -111.37      37.8193    -111.37      39.5655     68.6304      
1 1 1 14 9  37 o 0 -1.4   8.3   ?    ?   118.472  -143.872     23.3351    -143.872     32.8795     36.1277      
1 1 1 14 10 1  o 0 58     5.1   ?    ?   213.312  -131.153     193.743    -131.153     49.7817     -131.153     
1 1 1 14 10 2  o 0 27.4   3.4   ?    ?   306.123  55.0538      24.1567    55.0538      181.733     -124.946     
1 1 1 14 10 3  o 0 151.6  11.2  ?    ?   730.949  -136.397     213.684    -136.397     276.082     43.603       
1 1 1 14 10 4  o 0 138.3  10.3  ?    ?   631.172  76.9928      241.861    76.9928      179.346     -103.007     
1 1 1 14 10 5  o 0 445.6  29.2  ?    ?   1096.24  134.306      496.828    134.306      231.635     -45.6944     
1 1 1 14 10 6  o 0 258.5  17.2  ?    ?   725.099  74.2994      435.708    74.2994      44.0104     -105.701     
1 1 1 14 10 7  f 1 28.3   3.5   ?    ?   445.988  129.196      31.5453    -50.8039     303.228     -50.8039     
1 1 1 14 10 8  o 0 787.8  54.8  ?    ?   1383.66  72.1231      654.515    72.1231      186.622     -107.877     
1 1 1 14 10 9  o 0 273.6  21.2  ?    ?   420.385  73.3499      586.941    73.3499      332.598     73.3499      
1 1 1 14 10 10 o 0 95     7.8   ?    ?   442.893  -95.7481     209.227    -95.7481     58.2516     84.2519      
1 1 1 14 10 11 o 0 39.9   4.6   ?    ?   349.953  -87.1515     65.2058    -87.1515     145.094     92.8485      
1 1 1 14 10 12 o 0 399.6  28.2  ?    ?   1054.06  42.5794      408.616    42.5794      221.571     -137.421     
1 1 1 14 10 13 o 0 1150.3 86.1  ?    ?   1191.95  75.0128      1044.99    75.0128      336.119     75.0128      
1 1 1 14 10 14 o 0 949.4  71.3  ?    ?   1244.8   -159.678     850.424    -159.678     115.747     -159.678     
1 1 1 14 10 15 o 0 28.8   7.1   ?    ?   86.7475  -163.917     39.1579    -163.917     11.7489     16.0828      
1 1 1 14 10 16 o 0 202.2  15.8  ?    ?   646.037  -144.731     330.765    -144.731     46.0981     35.2692      
1 1 1 14 10 17 o 0 1206.9 90.9  ?    ?   1470.11  11.2864      900.102    11.2864      47.8782     11.2864      
1 1 1 14 10 18 o 0 51.6   7.4   ?    ?   190.764  27.1844      155.892    27.1844      44.7673     27.1844      
1 1 1 14 10 19 o 0 61     8.5   ?    ?   404.153  154.841      127.962    154.841      120.608     -25.159      
1 1 1 14 10 20 o 0 51.8   9.6   ?    ?   374.93   94.6997      109.964    94.6997      121.301     -85.3003     
1 1 1 14 10 21 o 0 8.9    8.1   ?    ?   276.886  112.043      70.3766    -67.9568     239.835     -67.9568     
1 1 1 14 10 22 o 0 192.6  16.7  ?    ?   333.26   -124.672     490.421    -124.672     292.214     -124.672     
1 1 1 14 10 23 o 0 190.7  16.4  ?    ?   635.903  -88.2572     323.346    -88.2572     51.5505     91.7428      
1 1 1 14 10 24 o 0 32.3   7.8   ?    ?   153.424  43.2489      115.377    43.2489      30.5504     43.2489      
1 1 1 14 10 25 o 0 46.8   8.4   ?    ?   269.852  -170.721     154.051    -170.721     6.31499     -170.721     
1 1 1 14 10 26 o 0 389.7  32.3  ?    ?   619.721  136.047      646.807    136.047      322.871     136.047      
1 1 1 14 10 27 o 0 20.5   8.6   ?    ?   72.3171  -106.659     48.1898    -106.659     11.3211     -106.659     
1 1 1 14 10 28 o 0 27.3   8.4   ?    ?   225.38   -89.1463     94.7797    -89.1463     18.797      90.8537      
1 1 1 14 10 29 o 0 8.6    8.4   ?    ?   32.9274  -167.314     7.09959    -167.314     14.1819     12.6858      
1 1 1 14 10 30 o 0 41.6   8.9   ?    ?   270.418  -25.4402     174.43     -25.4402     1.58294     154.56       
1 1 1 14 10 31 o 0 3.4    7.3   ?    ?   233.508  103.707      43.424     -76.2929     193.701     -76.2929     
1 1 1 14 10 32 o 0 9.2    8.7   ?    ?   84.7394  -104.385     37.8109    -104.385     14.7877     75.6148      
1 1 1 14 10 33 o 0 12.2   8.9   ?    ?   24.264   84.807       22.6208    84.807       8.19142     84.807       
1 1 1 14 10 34 o 0 4      10.4  ?    ?   196.497  92.1625      8.85466    92.1625      104.896     -87.8375     
1 1 1 14 10 35 o 0 -0.5   8.4   ?    ?   188.18   -168.109     6.0957     11.8914      107.249     11.8914      
1 1 1 14 10 36 o 0 17.3   7.8   ?    ?   117.688  -37.751      117.05     -37.751      60.5575     -37.751      
1 1 1 14 11 0  o 0 344.7  37.5  ?    ?   471.641  -3.22505e-14 549.893    0            233.504     4.36983e-14  
1 1 1 14 11 1  o 0 998.9  69.2  ?    ?   1304.94  19.257       908.236    19.257       98.6115     19.257       
1 1 1 14 11 2  o 0 180.5  13.1  ?    ?   551.334  -101.135     360.795    -101.135     19.7872     -101.135     
1 1 1 14 11 3  o 0 201.5  14.6  ?    ?   351.469  32.8408      502.712    32.8408      286.072     32.8408      
1 1 1 14 11 4  o 0 1811.4 125.3 ?    ?   1375.07  -148.666     1438.18    -148.666     593.773     -148.666     
1 1 1 14 11 5  f 1 281.4  18.9  ?    ?   515.08   153.353      558.331    153.353      244.096     153.353      
1 1 1 14 11 6  f 1 305.2  21.7  ?    ?   1039.36  36.218       294.269    36.218       337.168     -143.782     
1 1 1 14 11 7  o 0 356.3  23.5  ?    ?   713.684  25.6553      555.964    25.6553      123.146     25.6553      
1 1 1 14 11 8  f 1 1291.8 83.7  ?    ?   1508.32  34.6755      991.265    34.6755      80.1915     34.6755      
1 1 1 14 11 9  o 0 301.1  21.5  ?    ?   501.247  -12.3212     584.9      -12.3212     282.749     -12.3212     
1 1 1 14 11 10 o 0 308.5  21.9  ?    ?   801.129  -137.815     427.958    -137.815     52.6693     42.185       
1 1 1 14 11 11 o 0 36.2   4.6   ?    ?   116.169  138.762      71.4648    138.762      2.11147     138.762      
1 1 1 14 11 12 o 0 75.2   8     ?    ?   560.552  161.667      88.5565    161.667      244.403     -18.3334     
1 1 1 14 11 13 o 0 134.7  10.6  ?    ?   486.747  138.782      282.325    138.782      4.65982     -41.2184     
1 1 1 14 11 14 o 0 221.7  17.7  ?    ?   677.779  -41.5911     349.747    -41.5911     47.6914     138.409      
1 1 1 14 11 15 o 0 10.2   4.8   ?    ?   94.7184  31.3087      20.9204    -148.691     76.1456     -148.691     
1 1 1 14 11 16 o 0 144.6  12.2  ?    ?   248.232  -164.966     403.559    -164.966     258.033     -164.966     
1 1 1 14 11 17 o 0 563.6  43.5  ?    ?   1014.72  -6.13743     598.836    -6.13743     7.68765     -6.13743     
1 1 1 14 11 18 o 0 84.3   10.8  ?    ?   489.512  5.36978      157.693    5.36978      143.505     -174.63      
1 1 1 14 11 19 o 0 37.3   7.7   ?    ?   252.729  74.8339      101.444    74.8339      54.5691     -105.166     
1 1 1 14 11 20 o 0 1.9    7.8   ?    ?   95.559   63.7521      32.6148    -116.248     91.1691     -116.248     
1 1 1 14 11 21 o 0 23     8.3   ?    ?   182.175  44.0915      51.0304    44.0915      57.4967     -135.909     
1 1 1 14 11 22 o 0 610.8  44.3  ?    ?   692.053  168.852      853.422    168.852      444.56      168.852      
1 1 1 14 11 23 o 0 9      7.2   ?    ?   120.066  -149.507     7.72181    30.4935      74.2786     30.4935      
1 1 1 14 11 24 o 0 6.9    7.4   ?    ?   79.859   -21.7373     8.87538    158.263      52.7331     158.263      
1 1 1 14 11 25 o 0 134.2  15    ?    ?   452.75   -26.7017     323.942    -26.7017     86.4108     -26.7017     
1 1 1 14 11 26 o 0 54     9.6   ?    ?   282.948  85.4861      180.192    85.4861      33.2868     85.4861      
1 1 1 14 11 27 o 0 83     11.2  ?    ?   431.717  94.7441      209.319    94.7441      9.29636     -85.2559     
1 1 1 14 11 28 o 0 -1.7   7.4   ?    ?   89.4689  -47.5208     18.3168    132.479      65.1674     132.479      
1 1 1 14 11 29 o 0 72.7   9.9   ?    ?   391.247  -149.968     232.121    -149.968     24.0999     30.0322      
1 1 1 14 11 30 o 0 69     9.9   ?    ?   355.724  17.5184      236.246    17.5184      6.26511     17.5184      
1 1 1 14 11 31 o 0 103.1  12.4  ?    ?   349.552  -78.9086     343.561    -78.9086     120.111     -78.9086     
1 1 1 14 11 32 o 0 30.7   8.6   ?    ?   241.266  148.47       135.5      148.47       13.254      -31.5296     
1 1 1 14 11 33 o 0 36.3   10.4  ?    ?   307.434  138.353      126.953    138.353      54.6542     -41.6475     
1 1 1 14 11 34 o 0 15.6   8     ?    ?   219.71   83.1594      52.9267    83.1594      73.4167     -96.8406     
1 1 1 14 11 35 o 0 78     12.1  ?    ?   349.717  -25.6771     268.858    -25.6771     82.1154     -25.6771     
1 1 1 14 11 36 o 0 4.4    7.4   ?    ?   100.629  2.49949      42.4531    2.49949      5.53303     -177.501     
1 1 1 14 12 1  o 0 361.1  25.5  ?    ?   734.121  -27.5411     558.487    -27.5411     107.068     -27.5411     
1 1 1 14 12 2  o 0 112.2  8.2   ?    ?   505.652  -122.797     227.376    -122.797     82.7015     57.2025      
1 1 1 14 12 3  o 0 605.2  45.6  ?    ?   1125.68  28.3127      625.711    28.3127      62.4255     -151.687     
1 1 1 14 12 4  o 0 734.8  55.4  ?    ?   1245.65  -150.187     683.476    -150.187     77.7057     29.8127      
1 1 1 14 12 5  o 0 451.9  29.7  ?    ?   829.629  -117.574     616.198    -117.574     111.115     -117.574     
1 1 1 14 12 6  f 1 11.4   3.1   ?    ?   145.683  -71.4747     28.696     108.525      116.812     108.525      
1 1 1 14 12 7  o 0 48.1   4.9   ?    ?   456.043  -71.6069     51.0848    -71.6069     224.323     108.393      
1 1 1 14 12 8  o 0 379.8  26.8  ?    ?   749.579  -150.015     560.152    -150.015     109.427     -150.015     
1 1 1 14 12 9  o 0 105.4  9.3   ?    ?   429.622  -30.7608     241.377    -30.7608     15.7997     149.239      
1 1 1 14 12 10 f 1 24.3   4.3   ?    ?   179.381  169.893      30.5552    169.893      76.0507     -10.1069     
1 1 1 14 12 11 o 0 0.9    3.5   ?    ?   246.936  -137.76      121.588    42.2396      267.695     42.2396      
1 1 1 14 12 12 o 0 13.3   3.9   ?    ?   94.6128  -21.672      8.95692    158.328      64.6572     158.328      
1 1 1 14 12 13 o 0 468.3  31.2  ?    ?   882.476  135.737      584.742    135.737      67.9217     135.737      
1 1 1 14 12 14 o 0 15.9   4.7   ?    ?   140.495  -64.932      3.62757    115.068      85.4602     115.068      
1 1 1 14 12 15 o 0 57.5   6.8   ?    ?   184.715  67.3338      178.134    67.3338      69.9247     67.3338      
1 1 1 14 12 16 o 0 -7.1   5.6   ?    ?   220.108  122.014      109.311    -57.9859     237.482     -57.9859     
1 1 1 14 12 17 o 0 57.8   7.8   ?    ?   218.41   -88.5587     186.049    -88.5587     51.6805     -88.5587     
1 1 1 14 12 18 o 0 49.8   7.5   ?    ?   250.975  -39.9748     154.898    -39.9748     0.0621926   140.025      
1 1 1 14 12 19 o 0 24.7   7.6   ?    ?   86.3415  -18.9275     40.4832    -18.9275     12.4523     161.073      
1 1 1 14 12 20 o 0 52.7   9.6   ?    ?   330.415  -120.163     142.721    -120.163     54.3039     59.8369      
1 1 1 14 12 21 o 0 26.1   8.3   ?    ?   115.409  -65.1236     66.5909    -65.1236     1.68591     114.876      
1 1 1 14 12 22 o 0 113.7  11.5  ?    ?   434.399  131.653      283.658    131.653      42.4155     131.653      
1 1 1 14 12 23 o 0 94.6   11.4  ?    ?   380.826  50.6146      257.756    50.6146      48.1282     50.6146      
1 1 1 14 12 24 f 1 85     10.8  ?    ?   472.741  -142.589     196.815    -142.589     51.2621     37.4112      
1 1 1 14 12 25 f 1 201.6  20.6  ?    ?   723.174  -3.47704     318.266    -3.47704     57.4898     176.523      
1 1 1 14 12 26 o 0 117.5  13.8  ?    ?   468.64   61.9498      278.763    61.9498      40.5242     61.9498      
1 1 1 14 12 27 o 0 69.2   10.7  ?    ?   390.465  160.494      180.908    160.494      24.4772     -19.5059     
1 1 1 14 12 28 o 0 28.9   8     ?    ?   208.719  88.1603      134.413    88.1603      0.258808    -91.8397     
1 1 1 14 12 29 f 1 47.4   9.2   ?    ?   376.235  -128.986     140.678    -128.986     103.323     51.0142      
1 1 1 14 12 30 o 0 50.6   8.5   ?    ?   359.19   165.916      163.502    165.916      67.5671     -14.0844     
1 1 1 14 12 31 o 0 38.8   8.5   ?    ?   187.078  52.9803      203.754    52.9803      87.6006     52.9803      
1 1 1 14 12 32 o 0 12.6   8.3   ?    ?   140.309  -23.4446     58.1705    -23.4446     25.3503     156.555      
1 1 1 14 12 33 o 0 -6.6   9.6   ?    ?   55.8442  150.841      3.16701    150.841      29.2152     -29.1589     
1 1 1 14 12 34 o 0 21     8     ?    ?   165.024  -119.923     119.095    -119.923     30.1745     -119.923     
1 1 1 14 12 35 f 1 24.8   9.2   ?    ?   256.727  -63.9948     107.383    -63.9948     15.9239     116.005      
1 1 1 14 13 0  o 0 208.9  23.6  ?    ?   553.929  180          389.715    180          50.5384     -180         
1 1 1 14 13 1  o 0 155.8  12.7  ?    ?   603.672  166.203      274.022    166.203      94.8926     -13.7969     
1 1 1 14 13 2  o 0 50.7   5.6   ?    ?   259.467  56.1962      140.618    56.1962      17.5651     -123.804     
1 1 1 14 13 3  o 0 145    11    ?    ?   595.302  45.0874      253.664    45.0874      108.246     -134.913     
1 1 1 14 13 4  o 0 897.9  58.5  ?    ?   1333.62  -48.4376     778.805    -48.4376     29.4124     131.562      
1 1 1 14 13 5  f 1 550.9  36.1  ?    ?   1100.7   -135.275     572.28     -135.275     90.7755     44.7246      
1 1 1 14 13 6  o 0 249.2  17.8  ?    ?   840.532  178.799      312.237    178.799      193.523     -1.20103     
1 1 1 14 13 7  o 0 259.3  20.2  ?    ?   720.193  -171.528     395.588    -171.528     36.0603     8.4719       
1 1 1 14 13 8  o 0 686.2  51.6  ?    ?   1057.15  -137.94      728.399    -137.94      97.4208     -137.94      
1 1 1 14 13 9  o 0 516.8  36.3  ?    ?   880.165  142.187      649.722    142.187      127.791     142.187      
1 1 1 14 13 10 o 0 313.7  22.3  ?    ?   749.115  55.9212      459.835    55.9212      17.6324     55.9212      
1 1 1 14 13 11 o 0 49.8   5.3   ?    ?   216.291  -57.6472     143.114    -57.6472     16.0432     -57.6472     
1 1 1 14 13 12 o 0 75     6.8   ?    ?   322.618  48.4594      201.277    48.4594      12.6803     48.4594      
1 1 1 14 13 13 o 0 406.4  29.2  ?    ?   649.304  -118.876     632.452    -118.876     254.85      -118.876     
1 1 1 14 13 14 o 0 97.6   9.2   ?    ?   499.965  -123.668     181.256    -123.668     111.25      56.3325      
1 1 1 14 13 15 o 0 14.3   5.1   ?    ?   91.6704  86.401       3.47622    -93.599      56.8019     -93.599      
1 1 1 14 13 16 o 0 115.1  13.3  ?    ?   657.551  -110.817     146.753    -110.817     257.483     69.183       
1 1 1 14 13 17 f 1 653.8  50.2  ?    ?   1084.22  69.4927      676.448    69.4927      9.01985     69.4927      
1 1 1 14 13 18 o 0 86.3   9.4   ?    ?   468.625  -8.26174     173.448    -8.26174     113.839     171.738      
1 1 1 14 13 19 o 0 10.7   6.8   ?    ?   230.734  -129.326     35.9753    50.6735      173.598     50.6735      
1 1 1 14 13 20 o 0 6.4    7.5   ?    ?   199.115  -129.324     46.7573    50.6759      164.633     50.6759      
1 1 1 14 13 21 o 0 103.8  12    ?    ?   307.01   89.3399      317.604    89.3399      146.924     89.3399      
1 1 1 14 13 22 o 0 584.1  42.8  ?    ?   923.905  38.5664      709.736    38.5664      200.398     38.5664      
1 1 1 14 13 23 o 0 14.6   7.6   ?    ?   114.629  -102.322     25.1829    -102.322     35.2447     77.678       
1 1 1 14 13 24 o 0 16     8.2   ?    ?   34.348   144.748      12.6984    144.748      5.23878     -35.2519     
1 1 1 14 13 25 o 0 24.4   8.5   ?    ?   227.537  168.964      76.65      168.964      39.3674     -11.0358     
1 1 1 14 13 26 o 0 419.4  37.3  ?    ?   1064.42  -142.589     445.908    -142.589     91.1555     37.4106      
1 1 1 14 13 27 o 0 26.4   7.8   ?    ?   281.449  -46.5684     87.9155    -46.5684     94.4271     133.432      
1 1 1 14 13 28 o 0 16.1   7.2   ?    ?   173.37   138.659      64.4185    138.659      48.8357     -41.3407     
1 1 1 14 13 29 o 0 45.2   8.5   ?    ?   298.032  56.2513      176.039    56.2513      16.7009     -123.749     
1 1 1 14 13 30 o 0 26.4   8.3   ?    ?   191.828  141.412      132.312    141.412      12.5052     141.412      
1 1 1 14 13 31 o 0 -5.4   7.9   ?    ?   98.5378  99.6835      16.9236    -80.3165     77.6397     -80.3165     
1 1 1 14 13 32 o 0 21.9   8.7   ?    ?   203.857  12.6013      96.4818    12.6013      23.9447     -167.399     
1 1 1 14 13 33 o 0 3.7    7.4   ?    ?   74.5043  -35.5795     16.9276    -35.5795     25.947      144.421      
1 1 1 14 13 34 o 0 1.3    9     ?    ?   183.546  -72.337      3.89605    -72.337      94.2543     107.663      
1 1 1 14 13 35 o 0 18.9   10.6  ?    ?   173.081  110.404      100.296    110.404      17.5826     110.404      
1 1 1 14 14 1  o 0 71.4   7     ?    ?   269.879  -177.77      210.618    -177.77      47.2683     -177.77      
1 1 1 14 14 2  o 0 43.2   5.2   ?    ?   478.274  129.248      20.1956    129.248      268.692     -50.7517     
1 1 1 14 14 3  o 0 133.5  11.3  ?    ?   648.782  -166.201     195.67     -166.201     195.237     13.7988      
1 1 1 14 14 4  o 0 105.7  10.1  ?    ?   280.23   50.2111      305.405    50.2111      137.041     50.2111      
1 1 1 14 14 5  o 0 674.8  50.9  ?    ?   1359.85  -5.59665     541.787    -5.59665     272.627     174.403      
1 1 1 14 14 6  o 0 111.2  9.5   ?    ?   526.9    -122.798     208.154    -122.798     105.636     57.2024      
1 1 1 14 14 7  o 0 13.1   3.7   ?    ?   127.916  -65.9557     14.6233    114.044      90.5181     114.044      
1 1 1 14 14 8  o 0 106.9  8.7   ?    ?   416.924  -6.43259     251.026    -6.43259     4.63976     -6.43259     
1 1 1 14 14 9  o 0 457.2  32.2  ?    ?   1043.79  148.713      481.938    148.713      132.306     -31.2874     
1 1 1 14 14 10 o 0 35.4   4.8   ?    ?   442.531  89.7805      6.31779    89.7805      252.945     -90.2195     
1 1 1 14 14 11 o 0 57.7   5.9   ?    ?   421.476  18.3026      102.64     18.3026      143.134     -161.697     
1 1 1 14 14 12 f 1 125.4  9.7   ?    ?   491.271  51.1387      255.213    51.1387      32.3992     -128.861     
1 1 1 14 14 13 o 0 662.1  46.7  ?    ?   960.607  93.673       732.261    93.673       171.34      93.673       
1 1 1 14 14 14 f 1 20.3   4.8   ?    ?   231.07   169.825      12.3719    169.825      129.937     -10.1747     
1 1 1 14 14 15 o 0 58     7.9   ?    ?   376.524  -154.873     133.286    -154.873     100.257     25.1267      
1 1 1 14 14 16 o 0 36.7   6.4   ?    ?   270.7    173.48       93.2546    173.48       73.6368     -6.51955     
1 1 1 14 14 17 o 0 52.7   7.6   ?    ?   638.846  -157.49      30.0255    22.5099      421.374     22.5099      
1 1 1 14 14 18 o 0 70.3   10.3  ?    ?   212.932  -1.40648     246.419    -1.40648     119.466     -1.40648     
1 1 1 14 14 19 o 0 59.7   9.8   ?    ?   351.56   -48.6651     156.448    -48.6651     51.6653     131.335      
1 1 1 14 14 20 o 0 29.8   7.8   ?    ?   369.433  -18.395      42.5596    -18.395      162.894     161.605      
1 1 1 14 14 21 o 0 68.1   9.9   ?    ?   270.978  -40.6158     228.913    -40.6158     79.415      -40.6158     
1 1 1 14 14 22 o 0 163    14.3  ?    ?   455.532  150.119      386.24     150.119      145.82      150.119      
1 1 1 14 14 23 o 0 19.7   7.4   ?    ?   100.001  135.711      47.7199    135.711      4.58814     -44.2888     
1 1 1 14 14 24 o 0 58.9   11.1  ?    ?   415.351  20.6325      145.763    20.6325      66.4663     -159.367     
1 1 1 14 14 25 o 0 220.6  21.9  ?    ?   603.925  102.781      407.091    102.781      101.575     102.781      
1 1 1 14 14 26 o 0 249.7  23    ?    ?   329.054  -71.1136     705.035    -71.1136     491.179     -71.1136     
1 1 1 14 14 27 o 0 20.3   8.1   ?    ?   150.982  -54.3139     99.5086    -54.3139     0.514199    -54.3139     
1 1 1 14 14 28 o 0 1.7    7     ?    ?   39.1293  177.534      0.996855   -2.46624     26.4102     -2.46624     
1 1 1 14 14 29 o 0 58     8.8   ?    ?   343.732  111.269      201.641    111.269      18.8762     -68.7306     
1 1 1 14 14 30 f 1 38.8   8.2   ?    ?   261.833  -1.57362     168.336    -1.57362     6.53661     -1.57362     
1 1 1 14 14 31 o 0 82     10.6  ?    ?   359.047  -36.3689     280.065    -36.3689     66.6664     -36.3689     
1 1 1 14 14 32 o 0 -0.3   7.3   ?    ?   89.8764  127.255      3.29669    127.255      48.773      -52.7446     
1 1 1 14 14 33 o 0 12.8   7.9   ?    ?   216.706  74.8219      42.6043    74.8219      74.1365     -105.178     
1 1 1 14 14 34 o 0 -3.6   9.3   ?    ?   41.0439  114.408      18.5592    114.408      1.21383     -65.5917     
1 1 1 14 15 0  o 0 322.8  35.4  ?    ?   1002.5   -4.26741e-14 473.79     0            126.376     180          
1 1 1 14 15 1  o 0 148.1  12.5  ?    ?   518.46   -155.042     299.402    -155.042     10.6004     24.9576      
1 1 1 14 15 2  o 0 23.9   4.8   ?    ?   168.512  -130.174     32.9503    -130.174     67.6337     49.8259      
1 1 1 14 15 3  o 0 72.3   7.7   ?    ?   463.41   -143.053     132.434    -143.053     143.574     36.9471      
1 1 1 14 15 4  o 0 156.6  12.1  ?    ?   508.187  174.74       321.221    174.74       19.3177     174.74       
1 1 1 14 15 5  o 0 134.9  10.4  ?    ?   624.115  44.3115      211.4      44.3115      158.295     -135.689     
1 1 1 14 15 6  o 0 60.4   5.8   ?    ?   423.846  -8.95183     112.167    -8.95183     138.088     171.048      
1 1 1 14 15 7  o 0 39.2   4.9   ?    ?   264.678  53.3967      92.1032    53.3967      63.6212     -126.603     
1 1 1 14 15 8  o 0 390.9  27.7  ?    ?   751.692  165.899      561.471    165.899      120.891     165.899      
1 1 1 14 15 9  o 0 521.3  34.6  ?    ?   991.208  -72.7065     577.193    -72.7065     8.07941     107.294      
1 1 1 14 15 10 o 0 98.3   8.1   ?    ?   487.682  21.0421      190.548    21.0421      96.1646     -158.958     
1 1 1 14 15 11 o 0 49.1   6.2   ?    ?   264.345  150.399      135.946    150.399      18.7512     -29.6006     
1 1 1 14 15 12 f 1 300.4  20.7  ?    ?   696.667  8.01245      484.601    8.01245      54.3505     8.01245      
1 1 1 14 15 13 o 0 156.7  13    ?    ?   520.635  -12.1105     321.703    -12.1105     0.993397    -12.1105     
1 1 1 14 15 14 o 0 90.8   10.1  ?    ?   300.774  54.4742      271.742    54.4742      85.5687     54.4742      
1 1 1 14 15 15 o 0 10.2   5.7   ?    ?   295.447  -132.369     76.553     47.6308      258.381     47.6308      
1 1 1 14 15 16 o 0 150.8  13.9  ?    ?   597.59   14.8117      259.683    14.8117      105.866     -165.188     
1 1 1 14 15 17 f 1 19.9   6.6   ?    ?   75.9731  -159.754     27.9139    -159.754     17.2159     20.2459      
1 1 1 14 15 18 f 1 516.2  37.7  ?    ?   843.947  150.248      667.184    150.248      169.258     150.248      
1 1 1 14 15 19 o 0 19.7   7.2   ?    ?   71.6736  -158.318     33.1831    -158.318     6.66078     21.6819      
1 1 1 14 15 20 f 1 4.1    6.8   ?    ?   179.616  142.949      42.7125    -37.0505     141.55      -37.0505     
1 1 1 14 15 21 o 0 45.9   7.7   ?    ?   138.153  175.184      180.847    175.184      107.904     175.184      
1 1 1 14 15 22 o 0 23.9   7.5   ?    ?   181.319  -118.993     80.4636    -118.993     14.4571     61.0067      
1 1 1 14 15 23 o 0 69.7   9.7   ?    ?   307.84   -1.59811     228.177    -1.59811     70.6835     -1.59811     
1 1 1 14 15 24 o 0 18.7   7.8   ?    ?   213.723  84.9987      47.1484    84.9987      61.1586     -95.0013     
1 1 1 14 15 25 o 0 124.5  13    ?    ?   523.134  -41.3599     316.757    -41.3599     23.995      138.64       
1 1 1 14 15 26 o 0 148    13.2  ?    ?   485.666  12.8666      394.013    12.8666      74.7003     12.8666      
1 1 1 14 15 27 o 0 35.1   8.8   ?    ?   376.497  129.182      81.0163    129.182      163.775     -50.8177     
1 1 1 14 15 28 o 0 21.8   7.9   ?    ?   151.664  8.8169       112.31     8.8169       14.6368     8.8169       
1 1 1 14 15 29 o 0 7.5    8.9   ?    ?   196.372  -103.501     9.53327    -103.501     112.667     76.4991      
1 1 1 14 15 30 f 1 31.5   8.1   ?    ?   197.635  -135.416     165.097    -135.416     47.3461     -135.416     
1 1 1 14 15 31 o 0 26.4   8.1   ?    ?   216.108  -179.193     125.79     -179.193     0.118469    0.80741      
1 1 1 14 15 32 o 0 3.3    6.5   ?    ?   97.9076  -1.68837     20.106     -1.68837     32.9684     178.312      
1 1 1 14 15 33 o 0 -0.9   8.9   ?    ?   38.8089  -122.795     21.4073    -122.795     2.58156     -122.795     
1 1 1 14 16 0  o 0 489.1  90    ?    ?   775.524  180          563.968    180          104.703     180          
1 1 1 14 16 1  o 0 15.4   4.9   ?    ?   161.784  5.40227      8.98365    -174.598     104.706     -174.598     
1 1 1 14 16 2  o 0 7.8    4.9   ?    ?   307.879  -9.76372     105.243    170.236      287.149     170.236      
1 1 1 14 16 3  o 0 12.1   4.8   ?    ?   94.3694  -59.7575     14.7208    120.243      70.3743     120.243      
1 1 1 14 16 4  o 0 129.4  10.3  ?    ?   542.31   -129.828     241.023    -129.828     78.0741     50.1719      
1 1 1 14 16 5  o 0 98.6   8.8   ?    ?   625.124  -153.893     120.995    -153.893     245.855     26.1068      
1 1 1 14 16 6  o 0 12.2   4.2   ?    ?   76.8106  147.4        8.53942    -32.6        53.9983     -32.6        
1 1 1 14 16 7  o 0 -3.3   4     ?    ?   113.509  85.8376      58.3159    -94.1624     125.271     -94.1624     
1 1 1 14 16 8  o 0 166.1  12.2  ?    ?   520.762  153.998      326.483    153.998      20.421      153.998      
1 1 1 14 16 9  o 0 245.5  17.3  ?    ?   706.905  21.0206      366.744    21.0206      47.0865     -158.979     
1 1 1 14 16 10 o 0 158.2  12.1  ?    ?   608.862  -19.539      277.532    -19.539      99.834      160.461      
1 1 1 14 16 11 o 0 16.2   4.8   ?    ?   98.9597  -149.043     10.7223    -149.043     50.9661     30.9569      
1 1 1 14 16 12 o 0 110.2  10.9  ?    ?   624.21   -59.7596     152.629    -59.7596     234.617     120.24       
1 1 1 14 16 13 o 0 280.5  23    ?    ?   761.18   -50.4749     404.481    -50.4749     65.3314     129.525      
1 1 1 14 16 14 o 0 108.2  12.4  ?    ?   519.522  156.36       204.443    156.36       114.48      -23.6396     
1 1 1 14 16 15 o 0 7.7    6.2   ?    ?   304.16   43.3361      85.0905    -136.664     267.001     -136.664     
1 1 1 14 16 16 o 0 126.6  11.7  ?    ?   555.256  -133.393     237.321    -133.393     92.7459     46.6067      
1 1 1 14 16 17 o 0 361.7  27.2  ?    ?   755.073  49.4137      525.457    49.4137      79.5012     49.4137      
1 1 1 14 16 18 o 0 29.7   6.6   ?    ?   260.467  63.6582      86.5215    63.6581      58.1042     -116.342     
1 1 1 14 16 19 o 0 11.3   8.4   ?    ?   131.86   150.462      2.59283    150.462      70.0944     -29.5382     
1 1 1 14 16 20 o 0 33.3   9.5   ?    ?   218.091  125.682      121.154    125.682      6.053       125.682      
1 1 1 14 16 21 o 0 17     5.9   ?    ?   228.407  -95.2921     28.8533    -95.2921     90.7176     84.7079      
1 1 1 14 16 22 o 0 237.1  19.6  ?    ?   740.141  -48.087      376.706    -48.087      2.11739     131.913      
1 1 1 14 16 23 o 0 36.7   7.9   ?    ?   207.447  -176.605     143.885    -176.605     38.6667     -176.605     
1 1 1 14 16 24 o 0 52.7   9.6   ?    ?   295.552  -143.206     212.074    -143.206     19.3038     -143.206     
1 1 1 14 16 25 o 0 67.7   9.6   ?    ?   427.394  -93.2055     193.289    -93.2055     88.2253     86.7945      
1 1 1 14 16 26 f 1 17.5   7.3   ?    ?   253.046  74.4177      40.5637    74.4177      123.923     -105.582     
1 1 1 14 16 27 o 0 10.9   6.9   ?    ?   82.8797  -137.447     37.5287    -137.447     15.9996     42.5534      
1 1 1 14 16 28 f 1 13.7   7.4   ?    ?   54.0361  174.519      49.3298    174.519      15.6755     174.519      
1 1 1 14 16 29 o 0 44.6   9.5   ?    ?   257.305  -103.929     197.341    -103.929     43.0303     -103.929     
1 1 1 14 16 30 o 0 0      8.3   ?    ?   122.528  2.07658      5.55067    2.07658      66.163      -177.923     
1 1 1 14 16 31 o 0 3.6    6.6   ?    ?   238.657  165.696      21.5214    -14.304      151.564     -14.304      
1 1 1 14 16 32 f 1 15     8.4   ?    ?   175.26   113.629      86.1242    113.629      0.834838    113.629      
1 1 1 14 17 0  o 0 8      8.5   ?    ?   207.164  6.12498e-14  22.8518    0            99.8399     -180         
1 1 1 14 17 1  o 0 80.7   8     ?    ?   474.963  34.1844      149.724    34.1844      131.411     -145.816     
1 1 1 14 17 2  o 0 19     5.3   ?    ?   257.643  -19.2321     2.86872    160.768      155.205     160.768      
1 1 1 14 17 3  o 0 28.5   5.1   ?    ?   195.842  38.7785      60.5097    38.7785      55.106      -141.222     
1 1 1 14 17 4  o 0 92.4   8.7   ?    ?   585.011  -28.4785     123.613    -28.4785     221.061     151.521      
1 1 1 14 17 5  o 0 240.9  18.1  ?    ?   580.188  165.304      429.694    165.304      88.6799     165.304      
1 1 1 14 17 6  o 0 80     8     ?    ?   449.276  153.168      169.129    153.168      110.853     -26.8319     
1 1 1 14 17 7  o 0 18.1   4.8   ?    ?   153.792  53.7428      11.7675    53.7428      83.7737     -126.257     
1 1 1 14 17 8  o 0 433.1  33.3  ?    ?   802.082  98.1083      606.393    98.1083      109.833     98.1083      
1 1 1 14 17 9  o 0 568    40.4  ?    ?   630.662  112.037      864.016    112.037      471.04      112.037      
1 1 1 14 17 10 o 0 217.1  16.8  ?    ?   800.011  -75.3384     276.727    -75.3384     219.728     104.662      
1 1 1 14 17 11 o 0 3.8    5.3   ?    ?   142.709  -115.375     54.5136    64.6253      142.682     64.6253      
1 1 1 14 17 12 o 0 4.9    6.2   ?    ?   142.444  -130.613     47.3646    49.3872      134.953     49.3872      
1 1 1 14 17 13 o 0 55.5   8.7   ?    ?   478.289  -112.565     79.1449    -112.565     207.579     67.4351      
1 1 1 14 17 14 o 0 6.5    5.9   ?    ?   19.9506  -126.9       4.43803    53.1004      16.3336     53.1004      
1 1 1 14 17 15 o 0 63.5   8     ?    ?   325.375  70.8007      182.376    70.8007      10.5175     -109.199     
1 1 1 14 17 16 o 0 85.4   8.4   ?    ?   298.834  -88.3031     273.536    -88.3031     106.861     -88.3031     
1 1 1 14 17 17 o 0 429.3  34.5  ?    ?   974.388  -20.3617     510.38     -20.3617     29.5766     159.638      
1 1 1 14 17 18 f 1 72.5   10.5  ?    ?   306.628  -154.564     236.791    -154.564     74.4006     -154.564     
1 1 1 14 17 19 o 0 59.2   8.1   ?    ?   296.944  83.7936      197.541    83.7936      41.0195     83.7936      
1 1 1 14 17 20 o 0 40.1   9     ?    ?   212.002  -84.9661     159.127    -84.9661     49.7767     -84.9661     
1 1 1 14 17 21 o 0 10.9   6.1   ?    ?   111.105  -77.2937     12.5942    -77.2936     44.2475     102.706      
1 1 1 14 17 22 o 0 145.5  13.6  ?    ?   460.408  84.5743      335.231    84.5743      90.9283     84.5743      
1 1 1 14 17 23 o 0 89.2   10.7  ?    ?   380.482  -145.183     299.368    -145.183     51.0931     -145.183     
1 1 1 14 17 24 o 0 -5.3   7     ?    ?   95.4338  0.358393     28.8924    -179.642     91.8097     -179.642     
1 1 1 14 17 25 o 0 48.2   8.4   ?    ?   363.656  -170.617     153.718    -170.617     84.1295     9.38282      
1 1 1 14 17 26 o 0 -0.2   7.3   ?    ?   166.478  115.361      32.2319    -64.6391     139.957     -64.6391     
1 1 1 14 17 27 o 0 27.9   7.4   ?    ?   261.438  11.1435      114.768    11.1435      48.8751     -168.856     
1 1 1 14 17 28 o 0 1.8    7.4   ?    ?   108.302  -77.9698     2.78478    -77.9698     62.3583     102.03       
1 1 1 14 17 29 o 0 45.6   8.4   ?    ?   270.287  41.3526      200.054    41.3526      41.3011     41.3526      
1 1 1 14 17 30 o 0 72.7   8.9   ?    ?   400.245  105.274      243.659    105.274      24.6721     105.274      
1 1 1 14 17 31 o 0 21.1   6.9   ?    ?   146.987  159.201      128.52     159.201      49.1879     159.201      
1 1 1 14 17 32 o 0 4.9    8.3   ?    ?   155.851  -95.4842     37.6934    -95.4842     37.6223     84.5158      
1 1 1 14 18 0  o 0 27.4   9.3   ?    ?   232.483  -2.22584e-14 96.642     0            48.0081     180          
1 1 1 14 18 1  o 0 0.5    6     ?    ?   244.846  -3.14906     110.766    176.851      263.072     176.851      
1 1 1 14 18 2  o 0 6.5    5.5   ?    ?   171.849  -42.7902     58.2245    137.21       165.04      137.21       
1 1 1 14 18 3  o 0 64.4   7.2   ?    ?   399.219  82.105       145.926    82.105       104.462     -97.895      
1 1 1 14 18 4  o 0 245    19.7  ?    ?   693.676  -175.453     391.979    -175.453     42.3452     4.54697      
1 1 1 14 18 5  o 0 108.5  9.8   ?    ?   454.735  -32.2271     245.823    -32.2271     38.2855     147.773      
1 1 1 14 18 6  o 0 23.3   5.2   ?    ?   314.642  12.1951      8.60379    12.1951      187.477     -167.805     
1 1 1 14 18 7  o 0 89.4   8.8   ?    ?   605.476  -89.9023     107.773    -89.9023     268.45      90.0977      
1 1 1 14 18 8  f 1 101.8  9.8   ?    ?   268.865  -177.635     315.615    -177.635     149.528     -177.635     
1 1 1 14 18 9  o 0 431    34    ?    ?   727.231  163.129      635.82     163.129      187.065     163.129      
1 1 1 14 18 10 o 0 70.3   9.4   ?    ?   201.838  28.673       251.756    28.673       130.2       28.673       
1 1 1 14 18 11 o 0 73.5   9.4   ?    ?   271.418  -158.217     239.668    -158.217     76.9126     -158.217     
1 1 1 14 18 12 o 0 32.4   6.8   ?    ?   172.014  40.9788      105.303    40.9788      2.63586     40.9788      
1 1 1 14 18 13 f 1 470.4  36.9  ?    ?   959.2    8.9108       548.462    8.9108       19.7116     -171.089     
1 1 1 14 18 14 o 0 30.8   6.5   ?    ?   310.47   -33.4545     73.9037    -33.4545     99.6919     146.545      
1 1 1 14 18 15 o 0 28     7.5   ?    ?   167.372  -131.802     95.701     -131.802     2.65188     -131.802     
1 1 1 14 18 16 o 0 40.4   8     ?    ?   415.708  56.8517      67.2566    56.8517      162.445     -123.148     
1 1 1 14 18 17 o 0 279    22.8  ?    ?   849.45   -115.749     388.395    -115.749     61.5049     64.2507      
1 1 1 14 18 18 f 1 279.2  23.1  ?    ?   718.107  -111.272     451.318    -111.272     74.5699     -111.272     
1 1 1 14 18 19 o 0 40.4   7.1   ?    ?   348.437  104.881      112.222    104.881      67.1926     -75.1192     
1 1 1 14 18 20 o 0 12.7   5.6   ?    ?   144.782  138.053      22.025     138.053      51.9482     -41.9468     
1 1 1 14 18 21 o 0 24.7   6.1   ?    ?   183.822  127.573      98.7724    127.573      1.31974     127.573      
1 1 1 14 18 22 o 0 94.3   10.7  ?    ?   380.677  71.2327      315.423    71.2327      67.1356     71.2327      
1 1 1 14 18 23 o 0 20.2   7.5   ?    ?   213.561  -53.4743     79.7666    -53.4743     61.0275     126.526      
1 1 1 14 18 24 o 0 80.4   9.8   ?    ?   267.693  55.5062      330.761    55.5062      155.597     55.5062      
1 1 1 14 18 25 o 0 23.8   6.5   ?    ?   170.081  0.54         129.158    0.54         18.9981     0.54         
1 1 1 14 18 26 o 0 105    11.2  ?    ?   426.961  -135.501     312.772    -135.501     45.1366     -135.501     
1 1 1 14 18 27 o 0 -5     7.1   ?    ?   113.898  -76.2738     21.5897    103.726      90.234      103.726      
1 1 1 14 18 28 o 0 8.4    8.1   ?    ?   86.5725  -20.25       43.6935    -20.25       7.282       159.75       
1 1 1 14 18 29 o 0 6.2    5.9   ?    ?   182.067  -49.6683     14.0467    -49.6683     85.8729     130.332      
1 1 1 14 18 30 o 0 2.9    6     ?    ?   168.934  -73.0505     1.97503    106.949      93.4838     106.949      
1 1 1 14 18 31 o 0 17.4   6.7   ?    ?   183.711  125.063      103.33     125.063      14.1769     125.063      
1 1 1 14 19 0  o 0 776.8  102   ?    ?   1407.88  180          732.806    180          141.179     -1.26272e-14 
1 1 1 14 19 1  o 0 77     10.8  ?    ?   184.138  80.2598      262.931    80.2598      148.614     80.2598      
1 1 1 14 19 2  o 0 0.4    5.7   ?    ?   84.7883  -1.52728     36.7817    178.473      89.3961     178.473      
1 1 1 14 19 3  o 0 79.1   7.9   ?    ?   326.59   28.9016      226.714    28.9016      24.2495     28.9016      
1 1 1 14 19 4  o 0 504.7  35.9  ?    ?   811.289  79.8321      679.581    79.8321      177.364     79.8321      
1 1 1 14 19 5  o 0 151.4  12.4  ?    ?   609.623  -95.2933     257.249    -95.2933     119.414     84.7067      
1 1 1 14 19 6  o 0 56.6   7     ?    ?   322.818  142.903      163.406    142.903      31.5845     -37.0974     
1 1 1 14 19 7  o 0 49.4   9.5   ?    ?   221.43   -23.6533     172.479    -23.6533     39.0935     -23.6533     
1 1 1 14 19 8  o 0 604.4  46.5  ?    ?   869.589  136.02       756.352    136.02       234.156     136.02       
1 1 1 14 19 9  o 0 705.2  50.1  ?    ?   958.532  84.2892      805.162    84.2892      231.563     84.2892      
1 1 1 14 19 10 o 0 15.2   5.9   ?    ?   213.755  -129.512     1.17237    50.4881      128.593     50.4881      
1 1 1 14 19 11 o 0 16.7   6.1   ?    ?   78.3115  -178.207     24.7111    -178.207     19.2912     1.79341      
1 1 1 14 19 12 o 0 10.4   5.4   ?    ?   89.7045  41.4089      1.11512    -138.591     51.2881     -138.591     
1 1 1 14 19 13 o 0 39.3   8.7   ?    ?   309.408  68.139       110.971    68.139       61.2296     -111.861     
1 1 1 14 19 14 o 0 114.7  11.7  ?    ?   315.428  -146.952     339.255    -146.952     164.639     -146.952     
1 1 1 14 19 15 o 0 68.7   8.6   ?    ?   264.731  -136.036     241.971    -136.036     101.387     -136.036     
1 1 1 14 19 16 o 0 4.3    5.4   ?    ?   168.365  -126         38.4057    53.9997      127.271     53.9997      
1 1 1 14 19 17 o 0 187.1  17.7  ?    ?   516      -164.446     404.045    -164.446     137.213     -164.446     
1 1 1 14 19 18 o 0 86.6   10    ?    ?   228.541  97.4104      306.736    97.4104      189.37      97.4104      
1 1 1 14 19 19 o 0 11.8   5.2   ?    ?   271.841  -102.467     12.1229    77.5327      157.102     77.5327      
1 1 1 14 19 20 o 0 27.4   8.8   ?    ?   158.119  47.8315      134.826    47.8315      30.9862     47.8315      
1 1 1 14 19 21 o 0 90.7   10.4  ?    ?   447.236  -36.1724     262.077    -36.1724     35.0774     143.828      
1 1 1 14 19 22 o 0 11.8   5.9   ?    ?   206.065  -65.3578     19.5467    -65.3578     116.177     114.642      
1 1 1 14 19 23 o 0 18.3   6.7   ?    ?   141.778  79.2116      94.5688    79.2116      1.84313     79.2116      
1 1 1 14 19 24 o 0 -3.5   6.2   ?    ?   123.636  -143.672     31.5472    36.3284      109.883     36.3284      
1 1 1 14 19 25 o 0 -12.5  6.7   ?    ?   41.361   132.359      14.4837    -47.6412     40.4223     -47.6412     
1 1 1 14 19 26 o 0 46.2   7.9   ?    ?   381.463  -114.844     142.848    -114.844     87.2748     65.1557      
1 1 1 14 19 27 o 0 79     9.7   ?    ?   360.244  -141.928     275.951    -141.928     63.5176     -141.928     
1 1 1 14 19 28 o 0 16     6.1   ?    ?   235.818  155.371      64.2881    155.371      65.3919     -24.6289     
1 1 1 14 19 29 o 0 0.2    7     ?    ?   61.5239  3.16293      10.1018    3.16293      23.3103     -176.837     
1 1 1 14 19 30 o 0 101.9  12.1  ?    ?   427.569  59.4713      324.287    59.4713      116.139     59.4713      
1 1 1 14 20 0  o 0 660.6  71.6  ?    ?   905.334  180          672.141    180          128.643     -180         
1 1 1 14 20 1  o 0 17.3   7.1   ?    ?   258.134  107.422      1.18874    -72.578      156.212     -72.578      
1 1 1 14 20 2  f 1 4.6    5.3   ?    ?   85.3788  80.5178      26.1746    -99.4822     77.3086     -99.4822     
1 1 1 14 20 3  o 0 44.4   6.4   ?    ?   182.048  33.0463      159.333    33.0463      50.0978     33.0463      
1 1 1 14 20 4  o 0 160.9  14.3  ?    ?   799.495  75.8519      175.874    75.8519      303.283     -104.148     
1 1 1 14 20 5  o 0 69.8   9.5   ?    ?   142.506  -100.75      247.512    -100.75      162.246     -100.75      
1 1 1 14 20 6  o 0 18.4   5.1   ?    ?   103.598  -163.709     30.3921    -163.709     31.4641     16.291       
1 1 1 14 20 7  o 0 13.9   5     ?    ?   181.27   81.5057      1.64789    -98.4943     109.607     -98.4943     
1 1 1 14 20 8  o 0 38.3   6.2   ?    ?   450.85   -35.9111     43.7267    -35.9111     209.698     144.089      
1 1 1 14 20 9  o 0 61.9   7.3   ?    ?   485.653  63.7029      114.513    63.7029      157.565     -116.297     
1 1 1 14 20 10 o 0 41.8   8     ?    ?   162.142  160.294      159.462    160.294      68.9635     160.294      
1 1 1 14 20 11 o 0 39     7.8   ?    ?   269.52   6.00044      125.024    6.00044      24.7884     -174         
1 1 1 14 20 12 o 0 5.1    6.2   ?    ?   308.738  39.8935      77.5045    -140.107     242.326     -140.107     
1 1 1 14 20 13 o 0 129.4  12.8  ?    ?   539.893  67.0514      276.263    67.0514      10.5551     -112.949     
1 1 1 14 20 14 o 0 24     6.1   ?    ?   201.406  164.772      80.1683    164.772      26.2646     -15.2276     
1 1 1 14 20 15 o 0 11.6   5.7   ?    ?   131.424  20.3185      16.3223    20.3185      51.7775     -159.682     
1 1 1 14 20 16 o 0 18.6   8     ?    ?   178.219  46.5993      54.1572    46.5993      37.6294     -133.401     
1 1 1 14 20 17 o 0 123.1  14.7  ?    ?   467.92   43.1992      284.11     43.1992      33.6292     43.1992      
1 1 1 14 20 18 o 0 74.4   10.3  ?    ?   200.576  162.019      345.559    162.019      213.232     162.019      
1 1 1 14 20 19 o 0 24.3   7.6   ?    ?   115.728  -9.0623      119.567    -9.0623      43.778      -9.0623      
1 1 1 14 20 20 f 1 15.5   7.1   ?    ?   135.186  175.559      69.2082    175.559      20.1701     -4.44085     
1 1 1 14 20 21 o 0 2.8    5.3   ?    ?   85.7277  -62.0654     10.4349    117.935      66.9141     117.935      
1 1 1 14 20 22 o 0 32.9   7.3   ?    ?   93.9898  63.7675      188.249    63.7675      126.869     63.7675      
1 1 1 14 20 23 o 0 6.7    5.5   ?    ?   33.1992  -27.8369     9.20929    -27.8369     11.8046     152.163      
1 1 1 14 20 24 f 1 12.7   6.2   ?    ?   189.705  -134.683     46.9449    -134.683     68.3825     45.3174      
1 1 1 14 20 25 o 0 57.5   8.3   ?    ?   265.837  147.099      251.585    147.099      91.2216     147.099      
1 1 1 14 20 27 o 0 32.8   6.9   ?    ?   290.873  64.7225      141.986    64.7225      18.1274     -115.277     
1 1 1 14 20 28 o 0 -12.9  5.6   ?    ?   38.9344  -141.835     6.0408     38.1655      25.274      38.1655      
1 1 1 14 21 1  o 0 129.1  14.3  ?    ?   486.547  3.76464      295.43     3.76464      22.556      3.76464      
1 1 1 14 21 2  o 0 17.3   6.6   ?    ?   133.676  -164.438     33.9988    -164.438     40.9802     15.5622      
1 1 1 14 21 3  o 0 21.9   6.5   ?    ?   188.777  52.7909      62.3816    52.7909      43.4591     -127.209     
1 1 1 14 21 4  f 1 381.3  27.7  ?    ?   731.193  -90.9038     591.454    -90.9038     182.934     -90.9038     
1 1 1 14 21 5  o 0 72.2   8.4   ?    ?   261.058  40.5282      249.595    40.5283      103.572     40.5283      
1 1 1 14 21 6  o 0 33.6   6.1   ?    ?   313.329  46.433       86.0108    46.433       88.9205     -133.567     
1 1 1 14 21 7  o 0 19.2   5.1   ?    ?   122.884  6.20376      47.4666    6.20376      20.9796     -173.796     
1 1 1 14 21 8  o 0 162.6  14.7  ?    ?   448.519  -43.2109     394.438    -43.2109     154.079     -43.2109     
1 1 1 14 21 9  o 0 124.3  12.2  ?    ?   449.859  -123.737     310.352    -123.737     70.0418     -123.737     
1 1 1 14 21 10 o 0 100.5  10.3  ?    ?   492.775  50.1332      231.09     50.1332      31.1994     -129.867     
1 1 1 14 21 11 o 0 83.5   9.4   ?    ?   320.886  60.971       262.946    60.971       92.8309     60.971       
1 1 1 14 21 12 o 0 64.8   9.2   ?    ?   427.053  122.308      164.129    122.308      58.1464     -57.6922     
1 1 1 14 21 13 o 0 78.2   9.2   ?    ?   578.718  139.242      131.807    139.242      167.958     -40.7583     
1 1 1 14 21 14 o 0 173.7  19.3  ?    ?   637.675  -46.2057     315.391    -46.2057     13.1902     133.794      
1 1 1 14 21 15 o 0 -3.7   7.6   ?    ?   133.148  46.6162      33.1267    -133.384     104.499     -133.384     
1 1 1 14 21 16 o 0 -2     7.2   ?    ?   74.0466  -91.351      20.238     88.649       69.1982     88.649       
1 1 1 14 21 17 o 0 40.8   7.9   ?    ?   274.148  -5.85397     171.854    -5.85397     8.24083     174.146      
1 1 1 14 21 18 o 0 24.6   7.5   ?    ?   181.916  12.1282      128.609    12.1282      7.54098     12.1282      
1 1 1 14 21 19 o 0 -0.3   7     ?    ?   46.1692  -173.755     7.10541    6.24489      37.6054     6.24489      
1 1 1 14 21 20 o 0 3.3    8.2   ?    ?   42.6999  50.096       5.27465    50.096       22.7744     -129.904     
1 1 1 14 21 21 o 0 112.8  13.9  ?    ?   335.318  114.561      389.634    114.561      175.942     114.561      
1 1 1 14 21 22 o 0 58.4   10.9  ?    ?   245.763  -115.11      260.147    -115.11      104.902     -115.11      
1 1 1 14 21 23 o 0 -4.6   8     ?    ?   22.8142  102          1.38408    -77.9999     15.2678     -77.9999     
1 1 1 14 21 24 o 0 4.8    6     ?    ?   6.02225  40.8825      1.99982    40.8825      1.5881      -139.117     
1 1 1 14 21 25 o 0 20.3   6.8   ?    ?   156.851  104.549      116.731    104.549      24.2456     104.549      
1 1 1 14 21 26 o 0 62.2   8.3   ?    ?   311.699  62.9091      253.303    62.9091      81.7356     62.9091      
1 1 1 14 21 27 o 0 28.8   8.6   ?    ?   221.557  -13.1366     152.554    -13.1366     43.0556     -13.1366     
1 1 1 14 22 0  o 0 239.9  29.3  ?    ?   439.317  2.28827e-14  394.775    0            160.647     -3.33495e-14 
1 1 1 14 22 1  o 0 0.1    9.8   ?    ?   320.177  -171.135     80.9953    8.86539      251.793     8.86539      
1 1 1 14 22 2  o 0 15.1   5.9   ?    ?   107.712  -131.254     28.4451    -131.254     29.0361     48.7459      
1 1 1 14 22 3  o 0 17.9   5.7   ?    ?   197.345  160.598      46.4021    160.598      58.8953     -19.4017     
1 1 1 14 22 4  o 0 837.5  58.9  ?    ?   1257.43  -83.908      786.117    -83.9081     115.647     -83.9081     
1 1 1 14 22 5  o 0 34     6.2   ?    ?   224.836  -88.1783     126.49     -88.1783     6.74834     -88.1783     
1 1 1 14 22 6  o 0 51.4   7.3   ?    ?   306.567  135.654      168.357    135.654      5.3589      135.654      
1 1 1 14 22 7  o 0 10.5   4.8   ?    ?   102.211  -109.374     4.13132    -109.374     50.0975     70.6261      
1 1 1 14 22 8  o 0 11.6   4.8   ?    ?   363.175  147.469      56.3523    -32.531      248.539     -32.531      
1 1 1 14 22 9  o 0 173.4  16.2  ?    ?   472.684  -54.9184     402.139    -54.9184     156.218     -54.9184     
1 1 1 14 22 10 o 0 5.9    5.2   ?    ?   235.705  6.60569      43.8324    -173.394     166.038     -173.394     
1 1 1 14 22 11 o 0 3.9    6.2   ?    ?   185.732  -133.64      35.0168    46.3603      130.939     46.3603      
1 1 1 14 22 12 o 0 113.2  11.9  ?    ?   501.507  67.7939      257.059    67.7939      0.82986     -112.206     
1 1 1 14 22 13 o 0 98.6   13.3  ?    ?   454.023  105.533      232.425    105.533      10.6713     -74.4666     
1 1 1 14 22 14 o 0 225.5  19.2  ?    ?   488.008  -38.5769     578.049    -38.5769     255.451     -38.5769     
1 1 1 14 22 15 f 1 6.1    7.6   ?    ?   192.218  -171.549     12.0154    8.4512       140.583     8.4512       
1 1 1 14 22 16 o 0 40.7   7.6   ?    ?   267.58   -18.6998     177.969    -18.6998     0.387048    161.3        
1 1 1 14 22 17 o 0 111    10.2  ?    ?   365.833  -81.7755     373.671    -81.7755     131.399     -81.7755     
1 1 1 14 22 18 o 0 72.4   8.3   ?    ?   268.293  127.445      306.843    127.445      130.007     127.445      
1 1 1 14 22 19 o 0 -1.8   5.1   ?    ?   94.7923  -110.345     30.1277    69.6549      92.1469     69.6549      
1 1 1 14 22 20 o 0 40.5   7.2   ?    ?   231.21   -23.8713     199.001    -23.8713     52.1767     -23.8713     
1 1 1 14 22 21 o 0 23.4   6     ?    ?   187.653  -56.3074     131.201    -56.3074     16.2885     -56.3074     
1 1 1 14 22 22 o 0 25.2   6.3   ?    ?   163.298  -151.785     149.601    -151.785     50.4829     -151.785     
1 1 1 14 22 23 o 0 64.6   11.9  ?    ?   286.555  113.757      261.244    113.757      90.8814     113.757      
1 1 1 14 22 24 o 0 -3.2   8     ?    ?   124.128  6.97801      2.06167    6.97801      66.8992     -173.022     
1 1 1 14 22 25 o 0 23.7   6.2   ?    ?   225.657  -20.6492     123.331    -20.6492     0.737965    159.351      
1 1 1 14 22 26 o 0 79.5   10.8  ?    ?   435.397  16.6584      260.292    16.6584      45.2388     16.6584      
1 1 1 14 23 0  f 1 43.4   12.6  ?    ?   302.056  2.90613e-15  156.868    0            0.917104    -4.94177e-13 
1 1 1 14 23 1  o 0 14.9   6.3   ?    ?   115.536  -122.644     35.3851    -122.644     24.493      57.3557      
1 1 1 14 23 2  o 0 16.4   7.4   ?    ?   194.786  -98.914      39.0662    -98.914      61.951      81.086       
1 1 1 14 23 3  o 0 36.8   8.4   ?    ?   509.381  -85.3462     22.8307    -85.3462     241.363     94.6538      
1 1 1 14 23 4  o 0 266.4  22.7  ?    ?   670.15   118.071      461.549    118.071      114.124     118.071      
1 1 1 14 23 5  f 1 433.8  31.7  ?    ?   579.281  122.115      730.742    122.115      431.485     122.115      
1 1 1 14 23 6  o 0 40.7   5.9   ?    ?   277.057  -92.3287     143.665    -92.3287     0.376603    -92.3287     
1 1 1 14 23 7  o 0 19.2   5     ?    ?   26.4067  117.952      20.2987    117.952      6.66812     117.952      
1 1 1 14 23 8  o 0 167.5  13.2  ?    ?   615.433  134.915      319.214    134.915      2.30538     134.915      
1 1 1 14 23 9  o 0 114.8  10.9  ?    ?   325.006  157.529      338.098    157.529      163.515     157.529      
1 1 1 14 23 10 o 0 34.5   6.1   ?    ?   354.196  -90.9585     99.9334    -90.9585     135.403     89.0415      
1 1 1 14 23 11 f 1 4.6    9.3   ?    ?   206.535  -98.0078     24.3114    81.9922      160.67      81.9922      
1 1 1 14 23 12 o 0 47.8   7.1   ?    ?   364.982  -69.5819     156.61     -69.5819     83.9639     110.418      
1 1 1 14 23 13 o 0 289.2  26.2  ?    ?   538.629  -68.3214     649.412    -68.3214     288.919     -68.3214     
1 1 1 14 23 14 o 0 107.9  11.3  ?    ?   385.734  138.416      353.237    138.416      96.3868     138.416      
1 1 1 14 23 15 o 0 -1.7   7.2   ?    ?   33.6315  31.5327      4.74981    -148.467     27.0693     -148.467     
1 1 1 14 23 16 o 0 13.3   5.3   ?    ?   53.2331  -16.4063     43.2769    -16.4063     8.16009     -16.4063     
1 1 1 14 23 17 o 0 39.4   6.4   ?    ?   208.055  10.9013      201.789    10.9013      65.4218     10.9013      
1 1 1 14 23 18 o 0 73.7   8.6   ?    ?   402.902  -132.265     235.525    -132.265     21.0314     47.7352      
1 1 1 14 23 19 o 0 0      5.3   ?    ?   165.74   149.653      36.629     -30.3472     138.499     -30.3472     
1 1 1 14 23 20 o 0 16.5   6.1   ?    ?   213.932  162.922      66.5667    162.922      63.8932     -17.0783     
1 1 1 14 23 21 o 0 58.5   9.5   ?    ?   256.08   -87.5247     262.069    -87.5247     108.959     -87.5247     
1 1 1 14 23 22 f 1 63.5   8.1   ?    ?   342.762  6.17749      235.132    6.17749      32.5256     6.17749      
1 1 1 14 23 23 o 0 8.1    5.2   ?    ?   88.7369  -88.1824     44.6205    -88.1824     4.54528     91.8176      
1 1 1 14 23 24 o 0 4.5    5.2   ?    ?   49.9978  -45.0566     28.127     -45.0566     3.2149      -45.0566     
1 1 1 14 24 0  o 0 101.1  16.8  ?    ?   312.743  -2.84229e-14 246.699    0            80.0083     5.92165e-14  
1 1 1 14 24 1  o 0 67.8   9.7   ?    ?   376.387  -165.383     187        -165.383     13.9133     14.617       
1 1 1 14 24 2  o 0 11.5   6.3   ?    ?   112.942  87.5109      22.3812    87.5109      37.9618     -92.4891     
1 1 1 14 24 3  f 1 62.4   8.6   ?    ?   488.544  -155.137     116.853    -155.137     143.587     24.8632      
1 1 1 14 24 4  o 0 64.1   8.6   ?    ?   352.303  164.068      187.732    164.068      0.524664    -15.9325     
1 1 1 14 24 5  o 0 160.4  15.3  ?    ?   340.344  13.5663      525.551    13.5663      300.017     13.5663      
1 1 1 14 24 6  o 0 90.7   8.8   ?    ?   263.428  13.5984      376.378    13.5984      202.03      13.5984      
1 1 1 14 24 7  o 0 6.6    4.8   ?    ?   67.2984  54.8702      3.03425    -125.13      47.4974     -125.13      
1 1 1 14 24 8  o 0 38.7   6.6   ?    ?   377.085  47.5715      106.617    47.5715      141.962     -132.428     
1 1 1 14 24 9  o 0 115.7  13.3  ?    ?   273.361  -159.917     442.47     -159.917     259.139     -159.917     
1 1 1 14 24 10 f 1 24.6   5.6   ?    ?   90.9963  4.81231      136.23     4.81231      75.5526     4.81231      
1 1 1 14 24 11 o 0 13.2   5.8   ?    ?   75.5355  126.361      47.0033    126.361      3.31039     -53.6393     
1 1 1 14 24 12 o 0 1.9    5.4   ?    ?   96.2902  -128.251     16.1028    51.7487      80.1186     51.7487      
1 1 1 14 24 13 o 0 0.5    6.1   ?    ?   81.2721  23.8327      13.6237    -156.167     67.4091     -156.167     
1 1 1 14 24 14 o 0 77.1   9.3   ?    ?   264.844  -172.197     323.544    -172.197     149.15      -172.197     
1 1 1 14 24 15 f 1 14.1   4.9   ?    ?   122.142  -157.166     76.715     -157.166     1.33327     22.8341      
1 1 1 14 24 16 o 0 49.3   6.9   ?    ?   366.007  -139.523     164.831    -139.523     68.257      40.4767      
1 1 1 14 24 17 o 0 4.4    4.9   ?    ?   122.325  121.996      1.29328    -58.0043     76.5601     -58.0043     
1 1 1 14 24 18 f 1 187.1  21.1  ?    ?   509.003  41.2363      455.458    41.2363      145.218     41.2363      
1 1 1 14 24 19 o 0 -12.7  9.1   ?    ?   31.1698  -156.969     3.01167    23.031       21.7048     23.031       
1 1 1 14 24 20 f 1 1.1    9.3   ?    ?   107.805  148.722      16.8525    148.722      47.129      -31.2777     
1 1 1 14 24 21 o 0 27     8.3   ?    ?   165.198  128.786      158.598    128.786      66.6043     128.786      
1 1 1 14 24 22 o 0 28.3   8.2   ?    ?   210.564  164.563      164.5      164.563      58.9441     164.563      
1 1 1 14 24 23 o 0 15.3   5.1   ?    ?   104.512  -14.2143     120.971    -14.2143     69.0687     -14.2143     
1 1 1 14 25 0  o 0 10.2   10.8  ?    ?   218.385  180          62.7267    180          82.207      -1.84218e-14 
1 1 1 14 25 1  f 1 276.9  23.9  ?    ?   605.494  -167.493     584.605    -167.493     183.088     -167.493     
1 1 1 14 25 2  o 0 40.8   8.5   ?    ?   237.961  104.389      192.275    104.389      33.8866     104.389      
1 1 1 14 25 3  o 0 20.9   6.3   ?    ?   295.955  150.083      50.3734    150.083      146.732     -29.917      
1 1 1 14 25 4  o 0 82.4   8.8   ?    ?   330.253  -149.785     308.654    -149.785     88.6991     -149.785     
1 1 1 14 25 5  o 0 32.3   5.8   ?    ?   253.642  -60.8762     144.198    -60.8762     24.6458     119.124      
1 1 1 14 25 6  o 0 0.5    5.1   ?    ?   138.051  54.2905      40.8007    -125.71      132.603     -125.71      
1 1 1 14 25 7  o 0 14.1   5.6   ?    ?   68.1742  -148.705     50.1139    -148.705     4.84948     -148.705     
1 1 1 14 25 8  o 0 10.9   5.9   ?    ?   248.251  -38.4114     4.88468    141.589      169.734     141.589      
1 1 1 14 25 9  o 0 221.1  21    ?    ?   409.375  -20.3393     596.54     -20.3393     325.39      -20.3393     
1 1 1 14 25 10 o 0 78.8   8.7   ?    ?   340.747  121.367      287.519    121.367      62.5096     121.367      
1 1 1 14 25 11 o 0 4      5.7   ?    ?   130.597  145.193      12.3948    -34.8073     98.3305     -34.8073     
1 1 1 14 25 12 o 0 3.2    7.3   ?    ?   96.6725  86.2265      5.6876     86.2265      56.2943     -93.7735     
1 1 1 14 25 13 o 0 14.5   6.3   ?    ?   79.6273  36.2612      70.4192    36.2612      19.5934     36.2612      
1 1 1 14 25 14 o 0 21.3   6.7   ?    ?   95.0792  -154.474     122.741    -154.474     62.3515     -154.474     
1 1 1 14 25 15 f 1 -5.7   5.3   ?    ?   66.8677  142.259      20.6807    -37.7406     61.6508     -37.7406     
1 1 1 14 25 16 o 0 28.8   6.4   ?    ?   181.073  146.806      164.75     146.806      54.1735     146.806      
1 1 1 14 25 17 o 0 13.2   7.8   ?    ?   15.8117  -153.732     20.1772    -153.732     10.6913     -153.732     
1 1 1 14 25 18 o 0 54.7   11.3  ?    ?   356.912  25.2633      183.349    25.2633      29.3079     -154.737     
1 1 1 14 25 19 o 0 0.8    9.3   ?    ?   179.398  -24.2185     6.01304    -24.2185     94.1238     155.782      
1 1 1 14 25 20 o 0 -5.5   11.9  ?    ?   112.966  -1.33448     36.77      -1.33448     20.0514     178.666      
1 1 1 14 25 21 o 0 40.8   9     ?    ?   173.391  151.199      237.993    151.199      151.504     151.199      
1 1 1 14 26 0  o 0 -4.2   7.6   ?    ?   32.5551  180          3.65744    180          17.6239     -4.06525e-14 
1 1 1 14 26 1  o 0 25.6   6.6   ?    ?   246.128  -166.826     107.515    -166.826     53.7037     13.1743      
1 1 1 14 26 2  o 0 3      6.3   ?    ?   66.1956  -152.336     2.26506    27.6644      45.6857     27.6644      
1 1 1 14 26 3  o 0 20.6   7.5   ?    ?   134.549  126.095      110.585    126.095      22.2551     126.095      
1 1 1 14 26 4  o 0 164.8  15.7  ?    ?   490.099  -165.474     425.999    -165.474     104.173     -165.474     
1 1 1 14 26 5  o 0 99.2   10    ?    ?   342.082  59.492       349.409    59.492       124.847     59.492       
1 1 1 14 26 6  o 0 29.8   5.9   ?    ?   172.403  -43.9371     167.41     -43.9371     54.3295     -43.9371     
1 1 1 14 26 7  o 0 5.4    5.5   ?    ?   91.5072  -56.1183     8.31451    -56.1183     50.3212     123.882      
1 1 1 14 26 8  o 0 80.8   10.3  ?    ?   338.173  -22.4342     296.033    -22.4342     79.7475     -22.4342     
1 1 1 14 26 9  o 0 51     7.4   ?    ?   275.013  52.9929      223.882    52.9929      48.4116     52.9929      
1 1 1 14 26 10 o 0 57.8   7.5   ?    ?   311.377  -163.965     230.177    -163.965     32.0785     -163.965     
1 1 1 14 26 11 o 0 19     5.9   ?    ?   170.812  -1.9274      108.914    -1.9274      3.59955     -1.9274      
1 1 1 14 26 12 f 1 21.7   7.8   ?    ?   146.621  -122.138     124.319    -122.138     34.5013     -122.138     
1 1 1 14 26 13 o 0 51.6   10.9  ?    ?   269.928  122.737      221.283    122.737      56.2249     122.737      
1 1 1 14 26 14 o 0 14.2   5.5   ?    ?   146.39   -55.1482     81.5506    -55.1482     6.52357     124.852      
1 1 1 14 26 15 o 0 17.9   5.5   ?    ?   249.112  -7.72535     69.4462    -7.72535     79.6318     172.275      
1 1 1 14 26 16 f 1 5.9    7.5   ?    ?   98.6398  -154.569     39.2956    -154.569     15.9467     25.4306      
1 1 1 14 26 18 o 0 11.8   9.4   ?    ?   208.205  81.8683      55.6857    81.8683      49.1041     -98.1317     
1 1 1 14 26 19 f 1 -12.8  9.7   ?    ?   61.4515  19.3543      11.5319    19.3543      19.0921     -160.646     
1 1 1 14 27 0  o 0 19.8   8     ?    ?   246.339  -1.26469e-14 113.336    0            41.3794     180          
1 1 1 14 27 1  o 0 172.8  15.4  ?    ?   465.63   177.48       457.528    177.48       164.424     177.48       
1 1 1 14 27 2  o 0 16     6.7   ?    ?   74.007   63.5125      76.4184    63.5125      29.7558     63.5125      
1 1 1 14 27 3  o 0 28.7   7     ?    ?   258.337  143.848      122.08     143.848      40.9773     -36.152      
1 1 1 14 27 4  o 0 172.8  14.8  ?    ?   453.318  64.9389      466.375    64.9389      180.111     64.9389      
1 1 1 14 27 5  o 0 10.9   6.9   ?    ?   162.17   65.8079      42.3418    65.8079      57.2309     -114.192     
1 1 1 14 27 6  o 0 -2.3   5.6   ?    ?   118.444  -8.91982     27.2453    171.08       99.924      171.08       
1 1 1 14 27 7  o 0 38.9   7     ?    ?   256.129  106.925      181.88     106.925      24.901      106.925      
1 1 1 14 27 8  o 0 -3.9   5.2   ?    ?   136.416  70.8126      41.4859    -109.187     124.951     -109.187     
1 1 1 14 27 9  o 0 87     10.3  ?    ?   430.626  -60.47       263.446    -60.47       0.556359    -60.47       
1 1 1 14 27 10 o 0 21.5   6.6   ?    ?   271.351  -94.9365     80.4503    -94.9365     82.8804     85.0635      
1 1 1 14 27 11 o 0 4.2    5.8   ?    ?   45.4259  -48.3134     10.6276    -48.3134     16.6262     131.687      
1 1 1 14 27 12 o 0 25.4   7.7   ?    ?   141.222  150.549      152.866    150.549      68.4559     150.549      
1 1 1 14 27 14 o 0 28.9   5.5   ?    ?   201.994  -14.3566     168.881    -14.3566     55.962      -14.3566     
1 1 1 14 27 15 o 0 1.9    4.7   ?    ?   45.6806  -47.227      13.9855    -47.227      9.08588     132.773      
1 1 1 14 27 16 o 0 7.3    7.8   ?    ?   179.856  -60.9989     39.6722    -60.9989     50.6439     119.001      
1 1 1 14 28 0  o 0 101    13.7  ?    ?   291.631  -180         284.751    180          111.935     180          
1 1 1 14 28 1  o 0 110.6  10.4  ?    ?   590.918  -3.3318      241.868    -3.3318      109.174     176.668      
1 1 1 14 28 2  o 0 -0.6   6.2   ?    ?   30.7359  -36.3963     0.101693   -36.3963     18.1917     143.604      
1 1 1 14 28 3  o 0 19.1   6.7   ?    ?   236.824  -3.09604     76.1017    -3.09604     65.0316     176.904      
1 1 1 14 28 4  o 0 51     8.6   ?    ?   268.484  66.0073      226.877    66.0073      66.7641     66.0073      
1 1 1 14 28 5  o 0 27.8   6.2   ?    ?   147.938  -98.7195     175.321    -98.7195     87.0866     -98.7195     
1 1 1 14 28 6  o 0 7.2    5.8   ?    ?   78.5762  -152.943     30.11      -152.943     16.7346     27.0571      
1 1 1 14 28 7  o 0 13.6   5.9   ?    ?   168.865  -27.55       65.9967    -27.55       34.5756     152.45       
1 1 1 14 28 8  o 0 18     6.2   ?    ?   95.4469  81.5572      124.713    81.5572      71.1475     81.5572      
1 1 1 14 28 9  o 0 22.9   5.8   ?    ?   194.543  -140.304     137.095    -140.304     28.1413     -140.304     
1 1 1 14 28 10 o 0 3.3    6.1   ?    ?   64.051   -105.063     16.8994    -105.063     18.8794     74.9368      
1 1 1 14 28 11 o 0 2.4    5.5   ?    ?   133.989  -129.716     2.67082    -129.716     71.9424     50.2843      
1 1 1 14 28 12 f 1 2.9    5.6   ?    ?   78.6694  -11.08       28.0774    -11.08       11.4643     168.92       
1 1 1 14 28 13 o 0 41.2   10.4  ?    ?   408.402  119.691      127.664    119.691      77.2891     -60.3088     
1 1 1 14 29 1  o 0 34.4   6.2   ?    ?   289.165  20.024       151.85     20.024       7.17119     -159.976     
1 1 1 14 29 2  o 0 12     8.1   ?    ?   72.9987  -105.687     67.7125    -105.687     27.4833     -105.687     
1 1 1 14 29 3  f 1 36.7   7.7   ?    ?   167.031  -6.30668     214.8      -6.30668     122.849     -6.30668     
1 1 1 14 29 4  o 0 98.7   12.2  ?    ?   427.636  114.002      302.962    114.002      66.726      114.002      
1 1 1 14 29 5  o 0 16.6   5.7   ?    ?   123.991  147.42       111.06     147.42       42.5421     147.42       
1 1 1 14 29 6  o 0 8.4    5.9   ?    ?   172.739  -109.223     46.988     -109.223     39.6872     70.7765      
1 1 1 14 29 7  f 1 3.7    5.7   ?    ?   90.7801  -59.1422     33.0586    -59.1422     12.3385     120.858      
1 1 1 14 29 8  o 0 63.6   8.5   ?    ?   439.645  -123.194     214.286    -123.194     5.83798     56.8059      
1 1 1 14 29 9  f 1 2      4.7   ?    ?   21.4856  -104.517     7.37456    -104.517     3.3349      75.4835      
1 1 1 15 0  1  o 0 126.3  12    ?    ?   701.533  -90          359.683    -90          142.119     90           
1 1 1 15 0  2  o 0 144.6  13.8  ?    ?   265.267  180          375.058    180          186.069     -180         
1 1 1 15 0  3  o 0 11.2   2.8   ?    ?   9.91212  -90          2.38233    -90          4.648       90           
1 1 1 15 0  4  o 0 -3.1   2.7   ?    ?   102.826  180          1.11843    180          71.458      -6.14116e-15 
1 1 1 15 0  5  o 0 -3.6   2.8   ?    ?   82.6503  90           0.874142   90           57.1606     -90          
1 1 1 15 0  6  o 0 11.3   3.5   ?    ?   84.8197  180          19.1597    180          40.077      3.3545e-15   
1 1 1 15 0  7  o 0 43.6   6     ?    ?   194.672  -90          147.362    -90          12.1628     -90          
1 1 1 15 0  8  o 0 51.5   6.2   ?    ?   364.476  180          210.771    180          40.9112     3.61495e-14  
1 1 1 15 0  9  o 0 47.1   6     ?    ?   204.306  90           159.558    90           19.2981     90           
1 1 1 15 0  10 o 0 11.4   4.2   ?    ?   31.6812  -9.07592e-14 6.63763    0            15.2133     180          
1 1 1 15 0  11 o 0 1436.8 131.7 ?    ?   1438.06  -90          1142.67    -90          156.801     -90          
1 1 1 15 0  12 o 0 642.2  68.7  ?    ?   1400.46  180          760.731    180          193.456     1.1771e-14   
1 1 1 15 0  13 o 0 130    15.5  ?    ?   567.948  -90          316.166    -90          40.4204     90           
1 1 1 15 0  14 o 0 304    29    ?    ?   951.25   180          481.095    180          112.279     2.44089e-14  
1 1 1 15 0  15 o 0 221.2  25.5  ?    ?   522.218  -90          406.874    -90          82.3117     -90          
1 1 1 15 0  16 o 0 1415   149.8 ?    ?   1321.67  -7.04038e-15 1012.34    0            196.609     2.92105e-14  
1 1 1 15 0  17 o 0 62.2   12.5  ?    ?   184.692  -90          161.199    -90          48.0313     -90          
1 1 1 15 0  18 f 1 13.3   11.3  ?    ?   520.285  -7.4889e-15  65.1938    0            249.706     180          
1 1 1 15 0  19 o 0 175.9  19.3  ?    ?   773.899  -90          352.423    -90          113.474     90           
1 1 1 15 0  20 o 0 54.9   11.2  ?    ?   210.457  -180         156.007    180          30.3595     180          
1 1 1 15 0  21 o 0 3.6    9.4   ?    ?   168.241  -90          13.9312    -90          86.7859     90           
1 1 1 15 0  22 o 0 123.5  18.2  ?    ?   541.521  -7.31748e-15 304.108    0            37.4026     180          
1 1 1 15 0  23 o 0 110.8  17.8  ?    ?   361.952  -90          284.007    -90          55.6109     -90          
1 1 1 15 0  24 o 0 48.7   12.6  ?    ?   237.249  -1.33242e-14 162.773    0            14.5864     1.35364e-13  
1 1 1 15 0  25 o 0 7.6    10.6  ?    ?   275.117  -90          37.4339    -90          129.148     90           
1 1 1 15 0  26 o 0 -6.9   11.2  ?    ?   51.7455  -180         3.86966    180          25.4551     3.40086e-14  
1 1 1 15 0  27 o 0 96.4   16.1  ?    ?   654.852  -90          253.036    -90          113.694     90           
1 1 1 15 0  28 o 0 -13.9  11.9  ?    ?   25.8079  180          1.66071    180          12.1102     9.62223e-16  
1 1 1 15 0  29 o 0 20.4   15    ?    ?   66.8943  90           28.7353    90           6.00627     -90          
1 1 1 15 0  30 o 0 69.6   19.1  ?    ?   240.125  180          195.955    180          72.9447     180          
1 1 1 15 0  31 o 0 32.8   41.2  ?    ?   187.563  90           112.582    90           10.3895     -90          
1 1 1 15 0  32 o 0 19.6   10.9  ?    ?   143.205  -180         84.1976    180          10.1556     7.02449e-14  
1 1 1 15 0  33 o 0 19.6   11.2  ?    ?   82.4386  -90          59.4942    -90          5.90431     -90          
1 1 1 15 0  34 o 0 39     12.6  ?    ?   235.688  180          167.258    180          19.8035     180          
1 1 1 15 0  35 o 0 -7.4   11.9  ?    ?   32.5963  -90          5.96196    -90          13.5343     90           
1 1 1 15 0  38 o 0 46.6   14.4  ?    ?   263.383  8.24128e-16  164.175    0            37.8337     -2.75209e-15 
1 1 1 15 1  0  o 0 7.6    2.6   ?    ?   154.849  -90          22.9911    -90          87.475      90           
1 1 1 15 1  1  o 0 44.3   3.4   ?    ?   304.166  22.2112      124.375    22.2112      91.8476     -157.789     
1 1 1 15 1  2  o 0 266.1  17.5  ?    ?   509.99   33.8879      630.069    33.8879      269.013     33.8879      
1 1 1 15 1  3  o 0 326.1  21.3  ?    ?   996.659  165.623      416.129    165.623      286.265     -14.3765     
1 1 1 15 1  4  o 0 19     2.5   ?    ?   498.694  -172.814     125.356    7.18626      475.087     7.18626      
1 1 1 15 1  5  o 0 93.8   7     ?    ?   501.297  171.801      211.38     171.801      138.358     -8.19906     
1 1 1 15 1  6  o 0 66.2   5.1   ?    ?   271.966  -22.7166     227.572    -22.7166     38.8493     -22.7166     
1 1 1 15 1  7  o 0 42.3   3.9   ?    ?   131.826  148.583      118.521    148.583      27.5489     148.583      
1 1 1 15 1  8  o 0 5      2.8   ?    ?   212.271  24.9372      102.825    -155.063     248.488     -155.063     
1 1 1 15 1  9  o 0 35     4.2   ?    ?   159.505  -146.654     92.54      -146.654     16.2905     33.3463      
1 1 1 15 1  10 o 0 1.9    3.1   ?    ?   77.0922  38.4119      43.4273    -141.588     96.2791     -141.588     
1 1 1 15 1  12 o 0 78.6   6.5   ?    ?   299.411  178.354      252.143    178.354      49.3064     178.354      
1 1 1 15 1  13 o 0 3.5    3.8   ?    ?   118.039  -59.509      54.8539    120.491      128.555     120.491      
1 1 1 15 1  14 f 1 14.4   4.5   ?    ?   484.03   -135.034     138.106    44.966       437.651     44.966       
1 1 1 15 1  15 o 0 99.8   10.9  ?    ?   115.269  136.648      271.166    136.648      199.894     136.648      
1 1 1 15 1  16 o 0 864.2  65.8  ?    ?   1156.44  -174.455     861.814    -174.455     151.598     -174.455     
1 1 1 15 1  17 o 0 44.1   8.1   ?    ?   190.769  -42.3543     120.081    -42.3543     3.74418     -42.3543     
1 1 1 15 1  18 o 0 110.6  12    ?    ?   386.702  -152.053     279.868    -152.053     46.2798     -152.053     
1 1 1 15 1  19 o 0 267.6  20.6  ?    ?   654.917  -77.9339     448.081    -77.9339     55.5181     -77.9339     
1 1 1 15 1  20 o 0 30.4   6.5   ?    ?   355.294  78.1573      24.5562    78.1573      189.125     -101.843     
1 1 1 15 1  21 o 0 103.8  10.5  ?    ?   321.2    -75.6237     287.116    -75.6237     95.5826     -75.6237     
1 1 1 15 1  22 o 0 159.5  14.6  ?    ?   217.027  50.0223      473.043    50.0223      336.681     50.0223      
1 1 1 15 1  23 o 0 62.7   8.8   ?    ?   414.227  138.664      132.049    138.664      128.421     -41.3364     
1 1 1 15 1  24 o 0 374.2  32.9  ?    ?   874.739  168.608      475.919    168.608      68.6519     -11.3924     
1 1 1 15 1  25 o 0 0.5    7.7   ?    ?   132.661  -57.1953     44.0984    122.805      124.176     122.805      
1 1 1 15 1  26 o 0 28.7   8.3   ?    ?   298.387  76.5164      67.8921    76.5164      100.72      -103.484     
1 1 1 15 1  27 o 0 32.8   8.6   ?    ?   280.964  31.7685      92.9894    31.7685      63.9334     -148.232     
1 1 1 15 1  28 o 0 14.4   10    ?    ?   69.0818  -11.7201     19.8459    -11.7201     16.9239     168.28       
1 1 1 15 1  29 o 0 18     10.9  ?    ?   149.755  -169.761     52.7482    -169.761     24.8482     10.2393      
1 1 1 15 1  30 o 0 37.9   12.3  ?    ?   130.235  -99.6272     143.136    -99.6272     76.5603     -99.6272     
1 1 1 15 1  31 o 0 10.6   9.2   ?    ?   60.226   178.384      19.5576    178.384      19.852      -1.61609     
1 1 1 15 1  32 o 0 59.2   9.7   ?    ?   224.882  -16.8251     275.688    -16.8251     127.781     -16.8251     
1 1 1 15 1  33 o 0 91.6   13.2  ?    ?   482.098  116.67       231.353    116.67       81.5449     -63.33       
1 1 1 15 1  34 o 0 55     11.1  ?    ?   195.006  161.53       268.333    161.53       146.502     161.53       
1 1 1 15 1  35 o 0 19.9   9.9   ?    ?   226.326  170.479      71.8532    170.479      63.3483     -9.52119     
1 1 1 15 1  36 f 1 40.3   10    ?    ?   395.277  -96.8253     102.918    -96.8253     125.895     83.1747      
1 1 1 15 1  37 f 1 153.6  16.7  ?    ?   595.592  -2.87552     335.426    -2.87552     15.9236     -2.87552     
1 1 1 15 1  38 o 0 -1.3   10.7  ?    ?   159.742  86.8669      26.6338    86.8669      49.9354     -93.1331     
1 1 1 15 2  0  o 0 78.1   7.7   ?    ?   531.512  -90          279.523    -90          97.1002     90           
1 1 1 15 2  1  o 0 56.5   4.2   ?    ?   269.509  49.9172      191.776    49.9172      1.49219     49.9172      
1 1 1 15 2  2  o 0 146.6  10.5  ?    ?   568.321  69.0459      324.528    69.0459      75.0683     -110.954     
1 1 1 15 2  3  o 0 97.3   6.8   ?    ?   577.218  -1.00418     176.533    -1.00418     227.467     178.996      
1 1 1 15 2  4  o 0 29.5   3.1   ?    ?   268.97   83.828       54.241     83.828       133.093     -96.172      
1 1 1 15 2  5  o 0 108.8  8     ?    ?   498.061  -73.841      258.388    -73.841      86.7268     106.159      
1 1 1 15 2  6  f 1 92.7   7     ?    ?   291.347  -41.2989     314.109    -41.2989     113.817     -41.2989     
1 1 1 15 2  7  o 0 1390.4 89.9  ?    ?   1684.88  117.593      1108.97    117.593      46.0259     -62.407      
1 1 1 15 2  8  o 0 165.1  12    ?    ?   525.608  42.7787      386.095    42.7787      27.7733     42.7787      
1 1 1 15 2  9  o 0 74.6   5.8   ?    ?   436.068  111.012      174.556    111.012      124.209     -68.9875     
1 1 1 15 2  10 o 0 822.9  53.5  ?    ?   1114.69  131.709      951.59     131.709      192.195     131.709      
1 1 1 15 2  11 o 0 494.1  34.9  ?    ?   876.384  -4.18976     716.645    -4.18976     123.018     -4.18976     
1 1 1 15 2  12 o 0 875.1  61    ?    ?   1460.62  -33.4445     708.051    -33.4445     204.086     146.556      
1 1 1 15 2  13 o 0 69.4   6.6   ?    ?   429.98   113.402      144.021    113.402      122.896     -66.598      
1 1 1 15 2  14 f 1 478.4  31.6  ?    ?   1043.2   2.00978      534.094    2.00978      109.834     -177.99      
1 1 1 15 2  15 o 0 1383.8 103.8 ?    ?   1526.47  113.842      1053.83    113.842      115.127     113.842      
1 1 1 15 2  16 o 0 514.3  39.4  ?    ?   959.804  156.199      616.415    156.199      30.0517     156.199      
1 1 1 15 2  17 o 0 14.8   6.8   ?    ?   172.453  -176.142     20.7309    3.85807      125.367     3.85807      
1 1 1 15 2  18 o 0 56     8.9   ?    ?   454.997  101.5        82.6       101.5        190.904     -78.5003     
1 1 1 15 2  20 f 1 241.4  18.9  ?    ?   658.293  98.9484      396.365    98.9484      3.24264     98.9484      
1 1 1 15 2  21 o 0 244.3  19.4  ?    ?   750.2    -6.18272     345.032    -6.18272     100.396     173.817      
1 1 1 15 2  22 o 0 175.8  15.1  ?    ?   599.977  146.423      321.936    146.423      53.4926     -33.5767     
1 1 1 15 2  23 o 0 69.6   9.4   ?    ?   574.492  28.2141      65.5198    28.2141      294.312     -151.786     
1 1 1 15 2  24 o 0 392.1  30.3  ?    ?   966.864  -69.2757     458.652    -69.2757     128.96      110.724      
1 1 1 15 2  25 o 0 42.8   8.7   ?    ?   325.929  -114.561     107.22     -114.561     88.8227     65.4392      
1 1 1 15 2  26 o 0 13.2   8.8   ?    ?   236.451  143.571      6.35229    -36.4294     139.517     -36.4294     
1 1 1 15 2  27 o 0 80.5   11.6  ?    ?   508.083  -85.513      157.425    -85.513      125.445     94.487       
1 1 1 15 2  28 o 0 73.5   12.2  ?    ?   157.318  -34.6344     277.43     -34.6344     193.947     -34.6344     
1 1 1 15 2  29 o 0 495.5  41.8  ?    ?   930.165  52.8023      615.965    52.8023      135.357     52.8023      
1 1 1 15 2  30 o 0 38.7   12.1  ?    ?   325.859  -4.27528     103.987    -4.27528     69.8202     175.725      
1 1 1 15 2  31 o 0 39.8   10.5  ?    ?   180.58   1.2013       200.456    1.2013       82.5854     1.2013       
1 1 1 15 2  32 o 0 70.8   11.9  ?    ?   364.038  58.234       238.413    58.234       0.46495     -121.766     
1 1 1 15 2  33 o 0 37.8   10.6  ?    ?   290.3    174.869      140.396    174.869      47.6127     -5.13123     
1 1 1 15 2  34 o 0 13.1   9     ?    ?   159.755  -120.611     55.1689    -120.611     44.4401     59.3888      
1 1 1 15 2  35 f 1 37     10.7  ?    ?   236.365  145.582      167.379    145.582      26.8009     145.582      
1 1 1 15 2  36 o 0 37.4   9.6   ?    ?   213.671  149.721      183.086    149.721      59.2876     149.721      
1 1 1 15 2  37 o 0 28.6   9     ?    ?   352.028  165.949      71.9245    165.949      117.118     -14.0508     
1 1 1 15 2  38 o 0 25.5   10.7  ?    ?   144.64   21.1631      145.339    21.1631      76.1034     21.1631      
1 1 1 15 3  0  o 0 40.6   5.4   ?    ?   403.778  90           189.735    90           94.3002     -90          
1 1 1 15 3  1  o 0 117.1  9.2   ?    ?   563.007  -177.768     245.785    -177.768     148.829     2.23176      
1 1 1 15 3  2  o 0 197    14    ?    ?   562.005  -140.021     446.713    -140.021     54.4233     -140.021     
1 1 1 15 3  3  o 0 71.9   5.5   ?    ?   556.598  11.2856      101.421    11.2856      285.338     -168.714     
1 1 1 15 3  4  o 0 143.7  10.3  ?    ?   611.884  26.5125      284.565    26.5125      138.559     -153.488     
1 1 1 15 3  5  o 0 29.4   3.4   ?    ?   277.373  109.822      50.4535    109.822      140.386     -70.1783     
1 1 1 15 3  6  f 1 393.9  29.8  ?    ?   817.337  173.916      632.056    173.916      74.0707     173.916      
1 1 1 15 3  8  o 0 140    10.3  ?    ?   595.432  -49.0771     279.489    -49.0771     123.709     130.923      
1 1 1 15 3  9  o 0 122    9.2   ?    ?   547.751  4.63857      254.669    4.63857      118.146     -175.361     
1 1 1 15 3  10 o 0 102.3  8.1   ?    ?   398.431  -38.4017     282.048    -38.4017     12.3568     -38.4017     
1 1 1 15 3  12 o 0 231.5  15.8  ?    ?   516.678  61.876       479.158    61.876       158.476     61.876       
1 1 1 15 3  13 o 0 29.5   5     ?    ?   229.194  37.7912      52.6149    37.7912      88.8122     -142.209     
1 1 1 15 3  14 o 0 597.3  41.8  ?    ?   1123.64  92.7507      619.254    92.7507      72.0869     -87.2493     
1 1 1 15 3  15 o 0 154.9  13.8  ?    ?   349.28   -91.6711     402.561    -91.6711     188.982     -91.6711     
1 1 1 15 3  16 o 0 442.4  34.6  ?    ?   694.943  20.2011      678.426    20.2011      256.194     20.2011      
1 1 1 15 3  17 o 0 13.4   7     ?    ?   198.573  -136.128     31.2055    43.8725      150.792     43.8725      
1 1 1 15 3  18 o 0 144.3  13.8  ?    ?   276.629  113.834      401.601    113.834      236.169     113.834      
1 1 1 15 3  19 o 0 39.3   7.7   ?    ?   561.903  80.6219      37.7156    -99.3781     371.286     -99.3781     
1 1 1 15 3  20 o 0 76.3   9.1   ?    ?   326.861  -82.8002     207.986    -82.8002     13.2254     -82.8002     
1 1 1 15 3  21 o 0 81.3   9.3   ?    ?   321.755  40.1092      223.01     40.1092      32.8538     40.1092      
1 1 1 15 3  22 o 0 150.3  13.3  ?    ?   350.599  -93.0978     402.756    -93.0978     182.096     -93.0978     
1 1 1 15 3  23 o 0 962.7  63.4  ?    ?   1120.11  7.94687      951.083    7.94687      252.513     7.94687      
1 1 1 15 3  24 f 1 97     12.1  ?    ?   327.476  -122.351     286.16     -122.351     88.4667     -122.351     
1 1 1 15 3  25 o 0 80     11.5  ?    ?   417.265  -178.894     190.04     -178.894     59.9461     1.10561      
1 1 1 15 3  26 o 0 69.6   10.4  ?    ?   337.306  -97.2392     209.799    -97.2392     20.5565     -97.2392     
1 1 1 15 3  27 o 0 36.6   9.3   ?    ?   468.538  171.276      24.4948    171.276      235.41      -8.72395     
1 1 1 15 3  28 o 0 162.8  17.3  ?    ?   571.76   -100.24      327.186    -100.24      24.8265     -100.24      
1 1 1 15 3  29 o 0 11.5   12.1  ?    ?   121.089  -116.306     26.6408    -116.306     35.7174     63.694       
1 1 1 15 3  30 o 0 11.2   16    ?    ?   261.132  66.8367      11.6218    66.8367      127.221     -113.163     
1 1 1 15 3  31 f 1 20.6   10.1  ?    ?   106.109  -127.399     81.8901    -127.399     13.0146     -127.399     
1 1 1 15 3  32 o 0 8.5    9.4   ?    ?   136.73   -32.0012     25.099     -32.0012     64.366      147.999      
1 1 1 15 3  33 o 0 79.7   11    ?    ?   415.594  -48.152      235.897    -48.152      32.5313     131.848      
1 1 1 15 3  34 o 0 16.9   8.7   ?    ?   142.067  93.6127      83.6852    93.6127      4.6697      -86.3873     
1 1 1 15 3  35 o 0 2.1    8.3   ?    ?   54.5929  -36.5529     9.66958    -36.5529     22.8049     143.447      
1 1 1 15 3  36 o 0 33.2   9.5   ?    ?   235.325  82.8731      150.574    82.8731      14.5378     82.8731      
1 1 1 15 3  37 o 0 18.6   10    ?    ?   190.246  -152.722     83.7654    -152.722     18.182      27.2784      
1 1 1 15 4  0  o 0 137.5  15.1  ?    ?   663.002  90           365.666    90           97.1455     -90          
1 1 1 15 4  1  o 0 2.9    2     ?    ?   334.027  86.026       192.262    -93.974      424.602     -93.974      
1 1 1 15 4  2  o 0 25.1   3.1   ?    ?   196.785  -131.778     41.9391    -131.778     94.3852     48.2225      
1 1 1 15 4  3  o 0 23     3.3   ?    ?   194.576  99.1542      29.5348    99.1542      104.663     -80.8458     
1 1 1 15 4  4  o 0 34.3   3.6   ?    ?   412.793  -130.262     19.3943    -130.262     263.965     49.7383      
1 1 1 15 4  5  o 0 3.4    2.6   ?    ?   173.896  49.1517      92.8038    -130.848     211.587     -130.848     
1 1 1 15 4  6  o 0 434.3  30.4  ?    ?   1456.46  83.2077      264.534    83.2077      725.285     -96.7923     
1 1 1 15 4  7  o 0 1448.2 100.1 ?    ?   1638.82  -16.6379     1168.69    -16.6379     60.6892     -16.6379     
1 1 1 15 4  8  o 0 492.2  34.3  ?    ?   991.101  -118.672     641.479    -118.672     32.1792     61.3276      
1 1 1 15 4  9  o 0 134.9  10.1  ?    ?   463.864  27.0787      336.324    27.0787      22.7038     27.0787      
1 1 1 15 4  10 o 0 830.9  57.7  ?    ?   1216.26  -139.164     879.613    -139.164     61.7007     -139.164     
1 1 1 15 4  11 o 0 813.9  56.7  ?    ?   1228.83  -156.273     787.363    -156.273     25.2044     -156.273     
1 1 1 15 4  12 o 0 28.5   4.4   ?    ?   208.944  122.81       50.2448    122.81       78.633      -57.1901     
1 1 1 15 4  13 o 0 91     8.4   ?    ?   405.099  -47.5733     220.681    -47.5733     27.7749     132.427      
1 1 1 15 4  14 o 0 233.5  16.1  ?    ?   834.964  -130.103     293.552    -130.103     217.133     49.8965      
1 1 1 15 4  15 o 0 462.8  39    ?    ?   825.942  -79.7206     628.719    -79.7206     126.585     -79.7206     
1 1 1 15 4  16 o 0 223.8  20    ?    ?   820.741  25.0415      279.877    25.0415      215.98      -154.958     
1 1 1 15 4  17 o 0 28.5   10.4  ?    ?   268.787  67.8808      35.0126    67.8808      125.971     -112.119     
1 1 1 15 4  18 o 0 5.4    7.2   ?    ?   85.2827  -63.0035     27.5025    116.997      78.2314     116.997      
1 1 1 15 4  19 o 0 524.4  40.6  ?    ?   984.49   33.8881      594.639    33.8881      13.242      33.8881      
1 1 1 15 4  20 o 0 612.8  43.7  ?    ?   1119.85  -77.3441     601.967    -77.3441     61.9227     102.656      
1 1 1 15 4  21 o 0 27.9   7.4   ?    ?   241.571  171.651      52.4298    171.651      98.6166     -8.34868     
1 1 1 15 4  22 o 0 134.7  14.6  ?    ?   474.605  -29.9602     299.079    -29.9602     1.79671     -29.9602     
1 1 1 15 4  23 o 0 206    18.3  ?    ?   671.344  141.002      331.627    141.002      85.1266     -38.9981     
1 1 1 15 4  24 o 0 597.2  40.6  ?    ?   1077.09  142.459      632.819    142.459      16.1623     -37.5408     
1 1 1 15 4  25 o 0 28.9   8.3   ?    ?   202.128  -46.4408     83.996     -46.4408     36.5749     133.559      
1 1 1 15 4  26 o 0 17.2   8.1   ?    ?   323.948  -127.477     13.1255    52.5226      194.111     52.5226      
1 1 1 15 4  27 o 0 180    18.5  ?    ?   606.321  -101.799     346.657    -101.799     23.4852     -101.799     
1 1 1 15 4  28 o 0 -1.8   12.3  ?    ?   368.559  164.128      91.1448    -15.8721     285.284     -15.8721     
1 1 1 15 4  29 o 0 103.5  13.8  ?    ?   397.22   138.989      279.997    138.989      76.2095     138.989      
1 1 1 15 4  30 o 0 20.5   9.7   ?    ?   151.078  -166.646     70.8206    -166.646     9.21497     13.3538      
1 1 1 15 4  31 o 0 18.2   10.5  ?    ?   186.748  121.246      72.1228    121.246      51.421      -58.7544     
1 1 1 15 4  32 o 0 -0.8   9.4   ?    ?   45.4591  -170.065     1.91339    -170.065     27.7967     9.93509      
1 1 1 15 4  33 o 0 31.6   10.3  ?    ?   264.553  -61.4216     115.936    -61.4216     54.3864     118.578      
1 1 1 15 4  34 o 0 9.9    8.6   ?    ?   72.2417  -46.477      37.9446    -46.477      6.84541     133.523      
1 1 1 15 4  35 o 0 83.7   11.6  ?    ?   312.355  -29.4976     307.305    -29.4976     122.05      -29.4976     
1 1 1 15 4  36 o 0 11.9   8.8   ?    ?   176.058  -114.483     46.106     -114.483     55.3824     65.517       
1 1 1 15 4  37 o 0 -0.8   8.5   ?    ?   172.142  71.0698      13.023     71.0698      70.5326     -108.93      
1 1 1 15 5  0  o 0 49.6   6.6   ?    ?   346.141  -90          204.167    -90          35.5361     90           
1 1 1 15 5  1  o 0 81.4   7.4   ?    ?   570.99   -2.95635     125.457    -2.95635     268.591     177.044      
1 1 1 15 5  2  o 0 775.2  58.2  ?    ?   952.931  -34.8464     1030.23    -34.8464     375.175     -34.8464     
1 1 1 15 5  3  o 0 74     5.8   ?    ?   286.927  50.2042      248.986    50.2042      52.5927     50.2042      
1 1 1 15 5  4  o 0 20.3   2.7   ?    ?   306.178  -167.5       17.7105    12.4997      226.324     12.4997      
1 1 1 15 5  5  o 0 57.1   4.8   ?    ?   202.466  69.2096      196.604    69.2096      59.3118     69.2096      
1 1 1 15 5  6  o 0 877    60.8  ?    ?   1472.1   -19.2471     777.729    -19.2471     215.602     160.753      
1 1 1 15 5  7  f 1 974.1  67.5  ?    ?   1105.13  -167.488     1104.17    -167.488     356.24      -167.488     
1 1 1 15 5  8  o 0 183.5  13.4  ?    ?   876.378  153.045      196.048    153.045      395.575     -26.9545     
1 1 1 15 5  9  o 0 -1.2   3     ?    ?   63.5892  -59.9486     38.2611    120.051      80.9677     120.051      
1 1 1 15 5  10 o 0 38.1   4.4   ?    ?   371.447  -169.276     54.2922    -169.276     193.87      10.7237      
1 1 1 15 5  11 o 0 2830   195.4 ?    ?   2218.88  160.496      1484.74    160.496      117.295     160.496      
1 1 1 15 5  12 o 0 57.5   6.2   ?    ?   305.372  121.371      154.425    121.371      32.7532     -58.629      
1 1 1 15 5  13 o 0 61.9   6.2   ?    ?   155.51   -58.3857     181.252    -58.3857     86.1687     -58.3857     
1 1 1 15 5  14 o 0 43.6   5.5   ?    ?   227.224  131.521      116.832    131.521      21.3107     -48.4788     
1 1 1 15 5  15 o 0 60.7   7.8   ?    ?   643.284  -67.2875     2.5052     112.712      391.294     112.712      
1 1 1 15 5  16 o 0 105.1  11.7  ?    ?   435.536  -141.681     237.933    -141.681     23.6856     38.3186      
1 1 1 15 5  17 o 0 147    16    ?    ?   622.103  64.2471      239.329    64.2471      131.165     -115.753     
1 1 1 15 5  18 o 0 -1.3   7     ?    ?   241.97   11.3266      105.682    -168.673     248.82      -168.673     
1 1 1 15 5  19 o 0 93.2   10.8  ?    ?   386.05   148.739      229.093    148.739      0.275811    -31.2611     
1 1 1 15 5  20 o 0 688.7  52.6  ?    ?   1227.06  -80.2243     609.964    -80.2243     113.644     99.7757      
1 1 1 15 5  21 o 0 15.4   6.8   ?    ?   229.553  128.683      23.2736    -51.3174     166.065     -51.3174     
1 1 1 15 5  22 o 0 2.3    6.7   ?    ?   277.842  -174.309     111.648    5.69097      284.804     5.69097      
1 1 1 15 5  23 o 0 128    13.3  ?    ?   478.282  -141.703     277.432    -141.703     18.0106     38.2967      
1 1 1 15 5  24 o 0 319.5  24.9  ?    ?   848.432  2.91243      420.428    2.91243      88.3197     -177.088     
1 1 1 15 5  25 o 0 44.2   8.5   ?    ?   581.9    84.7945      0.0852296  -95.2055     327.112     -95.2055     
1 1 1 15 5  26 o 0 23.1   10    ?    ?   114.483  3.51497      58.0356    3.51497      5.63212     -176.485     
1 1 1 15 5  27 o 0 176    17.2  ?    ?   803.434  65.8308      238.104    65.8308      188.225     -114.169     
1 1 1 15 5  28 o 0 146.5  16.9  ?    ?   612.64   96.3816      269.862    96.3816      51.4507     -83.6184     
1 1 1 15 5  29 o 0 31     10    ?    ?   168.216  -22.5549     118.443    -22.5549     32.5052     -22.5549     
1 1 1 15 5  30 o 0 37.8   11.3  ?    ?   134.493  -117.767     195.417    -117.767     107.357     -117.767     
1 1 1 15 5  31 o 0 30.9   13.2  ?    ?   259.208  88.4357      109.124    88.4357      61.6758     -91.5643     
1 1 1 15 5  32 o 0 33.5   10.3  ?    ?   338.643  117.01       91.847     117.01       128.624     -62.9898     
1 1 1 15 5  33 o 0 17.4   8.2   ?    ?   154.203  -172.323     85.7241    -172.323     11.0336     7.67736      
1 1 1 15 5  34 o 0 11.9   8.5   ?    ?   103.786  -127.388     58.1724    -127.388     4.1738      52.6123      
1 1 1 15 5  35 o 0 16.5   8.9   ?    ?   171.39   -36.1616     79.1545    -36.1616     20.9947     143.838      
1 1 1 15 5  36 o 0 19.5   9.2   ?    ?   119.581  -64.5112     118.09     -64.5112     53.2546     -64.5112     
1 1 1 15 5  37 o 0 80.3   14.5  ?    ?   398.726  163.968      259.033    163.968      66.1239     163.968      
1 1 1 15 6  0  o 0 151.9  16.7  ?    ?   629.002  -90          378.198    -90          53.8238     90           
1 1 1 15 6  1  o 0 44     4.9   ?    ?   189.278  58.0355      139.579    58.0355      10.0027     58.0355      
1 1 1 15 6  2  o 0 307.4  21.7  ?    ?   812.042  97.0311      491.893    97.0311      61.9372     -82.9689     
1 1 1 15 6  3  o 0 20.8   2.8   ?    ?   438.288  -99.0966     75.5411    80.9035      373.237     80.9035      
1 1 1 15 6  4  o 0 22.5   3     ?    ?   134.761  -12.6712     28.1729    -12.6712     62.9597     167.329      
1 1 1 15 6  5  o 0 41.5   4     ?    ?   261.396  102.399      114.229    102.399      63.6025     -77.6006     
1 1 1 15 6  6  o 0 579.7  40.4  ?    ?   1209.74  -74.9094     607.75     -74.9093     211.354     105.091      
1 1 1 15 6  7  o 0 774.7  58.3  ?    ?   1276.88  -155.091     781.428    -155.091     78.9508     24.909       
1 1 1 15 6  8  o 0 582.8  43.9  ?    ?   1063.55  104.593      700.324    104.593      12.7788     -75.407      
1 1 1 15 6  9  o 0 40     4.5   ?    ?   119.294  -152.942     95.6317    -152.942     16.0465     -152.942     
1 1 1 15 6  10 o 0 633.1  44.2  ?    ?   991.069  105.82       741.979    105.82       131.955     105.82       
1 1 1 15 6  11 o 0 265.4  19.2  ?    ?   654.078  80.7944      454.969    80.7944      54.4504     80.7944      
1 1 1 15 6  12 f 1 180.5  13.6  ?    ?   866.214  -63.6831     176.516    -63.6831     351.359     116.317      
1 1 1 15 6  13 o 0 5      4     ?    ?   133.215  120.104      55.0356    -59.8959     135.986     -59.8959     
1 1 1 15 6  14 o 0 265.7  22.8  ?    ?   718.942  -118.611     409.745    -118.611     24.6976     61.3893      
1 1 1 15 6  15 o 0 60.6   9.1   ?    ?   175.748  37.0009      178.477    37.0009      72.8901     37.0009      
1 1 1 15 6  16 o 0 857.9  79.2  ?    ?   1308.56  44.3569      733.942    44.3569      45.796      -135.643     
1 1 1 15 6  17 o 0 111    14.4  ?    ?   317.255  -85.3489     304.363    -85.3489     116.51      -85.3489     
1 1 1 15 6  18 o 0 343.2  30.2  ?    ?   810.431  7.67031      464.433    7.67031      12.2599     -172.33      
1 1 1 15 6  19 o 0 697.2  53.3  ?    ?   1125.27  -142.601     679.076    -142.601     14.2372     -142.601     
1 1 1 15 6  20 o 0 714.5  50.5  ?    ?   957.873  135.139      836.125    135.139      238.852     135.139      
1 1 1 15 6  21 o 0 77.2   9.4   ?    ?   258.308  177.839      250.279    177.839      88.8187     177.839      
1 1 1 15 6  22 o 0 128.3  12.3  ?    ?   438.793  42.3116      301.059    42.3116      29.0456     42.3116      
1 1 1 15 6  23 o 0 209.5  18.6  ?    ?   752.785  164.248      298.235    164.248      155.041     -15.7521     
1 1 1 15 6  24 o 0 59.4   10.5  ?    ?   277.929  -83.0409     188.628    -83.0409     22.8252     -83.0409     
1 1 1 15 6  25 o 0 82.2   10.8  ?    ?   453.859  -26.1183     191.717    -26.1183     62.0702     153.882      
1 1 1 15 6  26 o 0 39.1   9.9   ?    ?   322.463  43.5579      102.519    43.5578      75.9302     -136.442     
1 1 1 15 6  27 o 0 63.7   10.7  ?    ?   356.247  113.493      186.321    113.493      1.80322     -66.5068     
1 1 1 15 6  28 o 0 234.5  23.9  ?    ?   538.516  -52.5581     469.513    -52.5581     192.31      -52.5581     
1 1 1 15 6  29 o 0 181.4  17.1  ?    ?   611.773  -39.0945     340.064    -39.0945     28.9682     -39.0945     
1 1 1 15 6  30 o 0 -18.7  9.9   ?    ?   109.047  -101.575     41.2362    78.4247      112.313     78.4247      
1 1 1 15 6  31 o 0 -0.7   9.1   ?    ?   72.626   8.42172      3.21454    -171.578     50.8585     -171.578     
1 1 1 15 6  32 o 0 45.3   10.3  ?    ?   267.76   28.3711      189.854    28.3711      16.2827     28.3711      
1 1 1 15 6  33 o 0 31.2   8.8   ?    ?   264.19   -0.801517    127.829    -0.801517    37.2441     179.198      
1 1 1 15 6  34 o 0 7.5    8.3   ?    ?   89.3768  -166.719     32.6431    -166.719     20.8268     13.2809      
1 1 1 15 6  35 o 0 10.3   8.8   ?    ?   67.2226  39.6787      49.5646    39.6787      10.4411     39.6787      
1 1 1 15 6  36 o 0 30.3   9.3   ?    ?   290.552  11.3896      111.447    11.3896      45.4725     -168.61      
1 1 1 15 6  37 f 1 26     10.4  ?    ?   298.101  -156.091     88.2863    -156.091     55.0228     23.9085      
1 1 1 15 7  0  o 0 6.4    4     ?    ?   109.737  -90          10.5617    -90          64.18       90           
1 1 1 15 7  1  o 0 535.6  40.2  ?    ?   926.191  5.8322       754.524    5.8322       125.638     5.8322       
1 1 1 15 7  2  o 0 210.7  15.1  ?    ?   695      15.2383      374.661    15.2383      100.584     -164.762     
1 1 1 15 7  3  o 0 995.5  74.4  ?    ?   1316.84  -149.377     983.716    -149.377     86.7548     -149.377     
1 1 1 15 7  4  o 0 2.9    2.8   ?    ?   65.1698  83.4291      35.2366    -96.5709     79.442      -96.5709     
1 1 1 15 7  5  o 0 36.7   4     ?    ?   447.013  -68.9738     9.30362    -68.9738     292.582     111.026      
1 1 1 15 7  6  o 0 203.7  14.7  ?    ?   541.757  -99.5662     447.848    -99.5662     83.6405     -99.5662     
1 1 1 15 7  7  o 0 300.3  21.3  ?    ?   850.014  35.2885      435.413    35.2885      133.36      -144.711     
1 1 1 15 7  8  o 0 73.7   6.7   ?    ?   473.345  73.264       135.347    73.264       156.971     -106.736     
1 1 1 15 7  9  o 0 12.4   3.8   ?    ?   73.0694  14.5049      10.7625    -165.495     55.6678     -165.495     
1 1 1 15 7  10 o 0 445.3  33.9  ?    ?   861.025  57.4858      594.441    57.4858      67.9099     57.4858      
1 1 1 15 7  11 o 0 1116.6 77.8  ?    ?   1318.34  12.5985      975.147    12.5985      170.576     12.5985      
1 1 1 15 7  12 o 0 216    16    ?    ?   579.884  -134.061     404.367    -134.061     52.2992     -134.061     
1 1 1 15 7  13 o 0 73.9   7.6   ?    ?   227.905  176.456      226.38     176.456      88.7466     176.456      
1 1 1 15 7  14 o 0 30.8   5.8   ?    ?   447.088  -56.1027     20.2178    123.897      288.735     123.897      
1 1 1 15 7  15 o 0 743.7  68.9  ?    ?   1118.01  -156.797     743.763    -156.797     77.5668     -156.797     
1 1 1 15 7  16 o 0 214.9  21.8  ?    ?   566.215  122.616      400.597    122.616      65.2111     122.616      
1 1 1 15 7  17 o 0 146.4  16.3  ?    ?   433.88   -50.8605     332.811    -50.8605     77.4132     -50.8605     
1 1 1 15 7  18 o 0 81.5   10    ?    ?   520.021  110.115      128.122    110.115      179.48      -69.8851     
1 1 1 15 7  19 o 0 154.9  14.1  ?    ?   527.868  -9.32907     299.154    -9.32907     10.9316     170.671      
1 1 1 15 7  20 o 0 348.8  24.5  ?    ?   758.781  133.433      519.728    133.433      49.2856     133.433      
1 1 1 15 7  21 f 1 -1.7   7.5   ?    ?   167.582  -19.956      69.6841    160.044      173.578     160.044      
1 1 1 15 7  22 o 0 29.5   9.2   ?    ?   144.366  -90.994      74.6233    -90.994      14.3744     89.006       
1 1 1 15 7  23 f 1 20.4   7.4   ?    ?   58.6557  -68.1766     23.8715    -68.1766     11.1631     111.823      
1 1 1 15 7  24 o 0 241.8  19.1  ?    ?   525.104  -72.2616     477.275    -72.2616     165.712     -72.2616     
1 1 1 15 7  25 o 0 7.3    8.5   ?    ?   140.548  -96.7025     13.9558    83.2975      92.1272     83.2975      
1 1 1 15 7  26 o 0 63.2   10.5  ?    ?   245.107  -22.8167     229.625    -22.8167     99.4507     -22.8167     
1 1 1 15 7  27 o 0 31.2   11.5  ?    ?   244.958  -108.524     94.3128    -108.524     34.3718     71.4759      
1 1 1 15 7  28 o 0 148.1  16.6  ?    ?   470.105  114.532      345.47     114.532      104.717     114.532      
1 1 1 15 7  29 f 1 38.6   8.9   ?    ?   201.621  -95.7462     155.556    -95.7462     49.1079     -95.7462     
1 1 1 15 7  30 o 0 15.8   8.9   ?    ?   90.9048  -64.905      66.5453    -64.905      6.39983     -64.905      
1 1 1 15 7  31 o 0 14.8   12.1  ?    ?   157.134  -97.3052     61.216     -97.3052     41.3662     82.6948      
1 1 1 15 7  32 o 0 21.1   10    ?    ?   140.561  146.74       104.263    146.74       13.5806     146.74       
1 1 1 15 7  33 o 0 38.6   11.2  ?    ?   340.98   0.797977     116.13     0.797977     95.9263     -179.202     
1 1 1 15 7  34 o 0 -3.5   8.7   ?    ?   102.092  -22.6414     4.60788    157.359      65.4044     157.359      
1 1 1 15 7  35 o 0 35.1   9.7   ?    ?   226.036  114.19       164.866    114.19       33.9051     114.19       
1 1 1 15 7  36 o 0 1.7    9.6   ?    ?   181.966  -151.173     9.01249    -151.173     88.8295     28.8267      
1 1 1 15 7  37 o 0 10.4   10.5  ?    ?   268.927  -1.54082     22.1516    -1.54082     106.906     178.459      
1 1 1 15 8  0  o 0 35.8   5.9   ?    ?   59.6785  90           43.6503    90           2.92082     90           
1 1 1 15 8  1  o 0 908.4  68    ?    ?   1374.91  -168.142     860.836    -168.142     74.8561     11.8581      
1 1 1 15 8  3  o 0 885.6  61.4  ?    ?   1313.32  13.5967      875.002    13.5967      12.5993     -166.403     
1 1 1 15 8  4  o 0 26.7   3.6   ?    ?   479.107  -35.6328     62.7974    144.367      385.325     144.367      
1 1 1 15 8  5  o 0 147.9  11.8  ?    ?   591.483  -1.22932     290.955    -1.22932     105.565     178.771      
1 1 1 15 8  6  o 0 483.3  36.6  ?    ?   1201.13  -83.2664     481.011    -83.2664     320.708     96.7336      
1 1 1 15 8  7  o 0 290.5  19.3  ?    ?   813.314  -71.467      407.16     -71.467      94.004      108.533      
1 1 1 15 8  8  o 0 129.8  9.2   ?    ?   405.562  -91.4833     322.208    -91.4833     73.452      -91.4833     
1 1 1 15 8  9  o 0 84.6   6.6   ?    ?   426.31   -68.6322     190.936    -68.6322     69.3138     111.368      
1 1 1 15 8  10 o 0 178.9  13.1  ?    ?   417.928  -116.126     419.836    -116.126     165.157     -116.126     
1 1 1 15 8  11 f 1 702.2  53.1  ?    ?   926.184  10.1157      835.665    10.1157      275.494     10.1157      
1 1 1 15 8  12 o 0 154.7  14.2  ?    ?   411.419  37.4732      368.169    37.4732      119.961     37.4732      
1 1 1 15 8  13 o 0 -2.2   4.8   ?    ?   125.779  132.409      63.3374    -47.5914     138.822     -47.5914     
1 1 1 15 8  14 o 0 151.2  16    ?    ?   459.958  17.5199      334.406    17.5199      60.4575     17.5199      
1 1 1 15 8  15 o 0 1432.1 131.5 ?    ?   1239.9   -177.918     1193.04    -177.918     458.734     -177.918     
1 1 1 15 8  16 o 0 165    17.8  ?    ?   505.463  -179.905     335.785    -179.905     38.1998     -179.905     
1 1 1 15 8  17 o 0 44.8   7.5   ?    ?   296.577  34.7925      105.399    34.7925      68.127      -145.208     
1 1 1 15 8  18 o 0 85.4   10.2  ?    ?   337.462  -163.353     226.971    -163.353     28.5471     -163.353     
1 1 1 15 8  19 o 0 650.2  50    ?    ?   1034.99  77.8859      718.119    77.8859      75.5367     77.8859      
1 1 1 15 8  20 o 0 473.3  37.5  ?    ?   1038.1   16.4536      507.422    16.4536      139.019     -163.546     
1 1 1 15 8  21 o 0 157    13.3  ?    ?   396.517  -38.5286     386.957    -38.5286     141.939     -38.5286     
1 1 1 15 8  22 o 0 61.5   9.2   ?    ?   270.3    -99.1571     200.984    -99.1571     38.6519     -99.1571     
1 1 1 15 8  23 o 0 19     7.6   ?    ?   52.704   108.584      17.7766    108.584      13.6027     -71.4163     
1 1 1 15 8  24 o 0 348.9  26.6  ?    ?   816.751  142.736      498.164    142.736      42.056      142.736      
1 1 1 15 8  25 o 0 16.2   8.1   ?    ?   159.178  101.53       24.9193    101.53       63.1138     -78.4696     
1 1 1 15 8  26 o 0 7.9    8.9   ?    ?   178.359  123.401      10.0036    -56.5986     104.198     -56.5986     
1 1 1 15 8  27 o 0 25.2   9.7   ?    ?   189.241  -151.233     87.9899    -151.233     9.50258     28.7669      
1 1 1 15 8  28 o 0 126.9  15    ?    ?   605.806  161.525      233.724    161.525      74.8234     -18.4746     
1 1 1 15 8  29 f 1 124.8  12.9  ?    ?   182.768  124.35       504.656    124.35       385.554     124.35       
1 1 1 15 8  30 o 0 0.5    10    ?    ?   20.6065  27.4108      1.77841    27.4108      11.7825     -152.589     
1 1 1 15 8  31 o 0 15.3   9     ?    ?   57.5252  137.773      52.8163    137.773      15.3784     137.773      
1 1 1 15 8  32 o 0 43.8   11.1  ?    ?   241.862  -103.812     196.686    -103.812     44.8378     -103.812     
1 1 1 15 8  33 f 1 47.2   10.7  ?    ?   146.011  -106.298     254.526    -106.298     166.907     -106.298     
1 1 1 15 8  34 o 0 9      8.1   ?    ?   150.5    52.72        40.001     52.72        48.159      -127.28      
1 1 1 15 8  35 o 0 20.9   8.5   ?    ?   164.687  -78.8026     117.513    -78.8027     27.9143     -78.8027     
1 1 1 15 8  36 f 1 10.1   10.3  ?    ?   149.403  -66.9326     68.38      -66.9326     4.03615     113.067      
1 1 1 15 9  0  o 0 57.1   8.1   ?    ?   222.043  -90          185.736    -90          35.511      -90          
1 1 1 15 9  1  o 0 2020.5 150.5 ?    ?   1907.7   -171.135     1358.74    -171.135     71.378      -171.135     
1 1 1 15 9  2  o 0 1450.7 108.5 ?    ?   1637.68  81.9094      1139.62    81.9094      37.8064     81.9094      
1 1 1 15 9  4  o 0 259.1  18.4  ?    ?   609.177  -63.2234     475.283    -63.2234     97.8942     -63.2234     
1 1 1 15 9  5  o 0 78.9   6.1   ?    ?   442.878  134.923      167.35     134.923      105.937     -45.077      
1 1 1 15 9  6  o 0 554.7  36.3  ?    ?   1149.2   -118.921     559.925    -118.921     146.28      61.0786      
1 1 1 15 9  7  o 0 605.4  42.3  ?    ?   1000.44  -131.021     701.926    -131.021     89.7761     -131.021     
1 1 1 15 9  8  o 0 -1     3     ?    ?   72.5496  178.819      39.5493    -1.18095     83.8791     -1.18095     
1 1 1 15 9  9  o 0 -2.5   3.2   ?    ?   112.468  -34.4818     61.9793    145.518      130.386     145.518      
1 1 1 15 9  10 o 0 274.7  19.6  ?    ?   552.563  -47.136      518.449    -47.136      183.942     -47.136      
1 1 1 15 9  11 o 0 992.7  74.6  ?    ?   1218.26  -144.073     919.3      -144.073     185.366     -144.073     
1 1 1 15 9  12 o 0 191.8  15.4  ?    ?   432.727  59.6428      430.485    59.6428      171.093     59.6428      
1 1 1 15 9  13 o 0 63.1   6.9   ?    ?   379.091  40.7204      142.791    40.7204      82.7875     -139.28      
1 1 1 15 9  14 o 0 0.1    5.8   ?    ?   133.331  38.4906      59.1188    -141.509     138.032     -141.509     
1 1 1 15 9  15 o 0 269    27.3  ?    ?   591.098  36.808       474.687    36.808       126.803     36.808       
1 1 1 15 9  16 o 0 131.4  14.5  ?    ?   782.623  166.809      113.199    166.809      344.705     -13.1915     
1 1 1 15 9  17 o 0 22.8   7.4   ?    ?   171.809  74.1582      33.0651    74.1582      67.9914     -105.842     
1 1 1 15 9  18 o 0 161.9  15.3  ?    ?   422.953  123.944      387.881    123.944      125.094     123.944      
1 1 1 15 9  19 o 0 184.4  16.8  ?    ?   674.999  -138.107     289.474    -138.107     131.341     41.8929      
1 1 1 15 9  20 o 0 703.5  50    ?    ?   1028.72  -54.2899     762.204    -54.2899     125.515     -54.2899     
1 1 1 15 9  21 o 0 81     9.9   ?    ?   446.454  105.041      169.768    105.041      104.432     -74.9588     
1 1 1 15 9  22 o 0 87.9   10    ?    ?   243.788  88.8666      291.559    88.8666      146.035     88.8666      
1 1 1 15 9  23 f 1 60.3   8.6   ?    ?   230.895  82.9577      207.139    82.9577      70.8466     82.9577      
1 1 1 15 9  24 o 0 295.6  22.3  ?    ?   692.828  -24.6098     486.374    -24.6098     101.791     -24.6098     
1 1 1 15 9  25 o 0 30.9   8.8   ?    ?   137.497  -10.8895     115.641    -10.8895     42.7153     -10.8895     
1 1 1 15 9  26 o 0 17.6   9.4   ?    ?   229.175  -178.162     28.6055    -178.162     91.7079     1.8384       
1 1 1 15 9  27 f 1 74.1   11.7  ?    ?   459.514  58.0882      173.408    58.0882      61.322      -121.912     
1 1 1 15 9  28 o 0 14.7   8.7   ?    ?   138.07   -107.495     40.498     -107.495     32.64       72.5053      
1 1 1 15 9  29 o 0 19     7.9   ?    ?   97.2723  13.9055      72.8268    13.9055      9.64439     13.9055      
1 1 1 15 9  30 f 1 7.5    8.1   ?    ?   182.46   148.618      2.15617    148.618      116.92      -31.3822     
1 1 1 15 9  31 o 0 1.6    9.1   ?    ?   71.2234  -100.971     5.28202    -100.971     40.8061     79.0292      
1 1 1 15 9  32 o 0 72.1   11.9  ?    ?   357.002  44.363       245.49     44.363       22.622      44.363       
1 1 1 15 9  33 o 0 12     9.9   ?    ?   213.156  144.459      32.2889    144.459      95.2343     -35.5411     
1 1 1 15 9  34 o 0 0.2    8.6   ?    ?   178.232  -150.084     8.107      29.9165      111.934     29.9165      
1 1 1 15 9  35 o 0 2.2    10.5  ?    ?   99.4148  127.276      34.472     127.276      19.3189     -52.7239     
1 1 1 15 9  36 o 0 18.4   10.2  ?    ?   200.097  -130.469     88.6368    -130.469     8.07508     49.5312      
1 1 1 15 10 0  o 0 204.7  22.7  ?    ?   671.534  90           393.14     90           24.4441     -90          
1 1 1 15 10 1  o 0 160.3  12.8  ?    ?   544.371  54.8095      322.913    54.8095      14.8276     -125.19      
1 1 1 15 10 2  o 0 907.8  68.2  ?    ?   1138.8   48.8319      924.398    48.8319      219.786     48.8319      
1 1 1 15 10 3  o 0 47.4   4.8   ?    ?   316.357  -29.9168     112.255    -29.9168     82.8776     150.083      
1 1 1 15 10 4  o 0 27.8   3.5   ?    ?   225.061  -137.02      44.5434    -137.02      93.801      42.9803      
1 1 1 15 10 5  o 0 76.4   6     ?    ?   476.377  178.836      141.265    178.836      150.481     -1.16428     
1 1 1 15 10 6  o 0 1612   104.2 ?    ?   1735.88  45.2874      1084.08    45.2874      21.8973     45.2874      
1 1 1 15 10 7  o 0 166.7  11.8  ?    ?   406.277  161.999      400.515    161.999      152.936     161.999      
1 1 1 15 10 8  o 0 198.7  14.6  ?    ?   712.087  -134.308     298.078    -134.308     134.003     45.6922      
1 1 1 15 10 9  o 0 81.9   7.5   ?    ?   462.415  104.7        161.947    104.7        117.395     -75.3003     
1 1 1 15 10 10 o 0 138.5  11.5  ?    ?   447.269  -76.0729     313.938    -76.0729     44.9851     -76.0729     
1 1 1 15 10 11 o 0 151.2  11.6  ?    ?   548.842  -123.76      288.011    -123.76      40.4543     56.2396      
1 1 1 15 10 12 o 0 107.5  8.9   ?    ?   411.382  -143.228     256.583    -143.228     12.1231     -143.228     
1 1 1 15 10 13 o 0 18.5   5.4   ?    ?   93.2248  -129.395     8.44208    -129.395     46.6728     50.6048      
1 1 1 15 10 14 o 0 331.7  29.2  ?    ?   708.027  -155.662     505.238    -155.662     88.8798     -155.662     
1 1 1 15 10 15 o 0 358.1  31.3  ?    ?   721.793  100.537      531.127    100.537      109.038     100.537      
1 1 1 15 10 16 o 0 222.3  19.6  ?    ?   661.119  -24.1253     353.939    -24.1253     34.844      155.875      
1 1 1 15 10 17 o 0 43.1   9.3   ?    ?   262.778  -119.33      111.681    -119.33      41.9007     60.6703      
1 1 1 15 10 18 o 0 96.7   11.4  ?    ?   281.24   145.546      293.229    145.546      119.6       145.546      
1 1 1 15 10 19 o 0 102.4  11    ?    ?   293.828  -146.191     306.78     -146.191     124.76      -146.191     
1 1 1 15 10 20 o 0 204.6  17.4  ?    ?   513.434  -75.0366     416.162    -75.0366     100.402     -75.0366     
1 1 1 15 10 21 o 0 119.9  11.9  ?    ?   550.158  -106.307     225.399    -106.307     103.598     73.6929      
1 1 1 15 10 22 o 0 28.8   7.5   ?    ?   117.018  -54.9056     79.6815    -54.9056     10.2716     -54.9056     
1 1 1 15 10 23 o 0 323    23.7  ?    ?   880.799  -37.0581     426.941    -37.0581     63.3574     142.942      
1 1 1 15 10 24 o 0 73.9   9.8   ?    ?   455.771  110.022      163.705    110.022      87.6938     -69.9782     
1 1 1 15 10 25 o 0 14.3   7.9   ?    ?   295.531  155.001      11.0138    -24.9993     166.772     -24.9993     
1 1 1 15 10 26 o 0 22.2   9.6   ?    ?   99.229   -45.9345     66.3693    -45.9345     15.3206     -45.9345     
1 1 1 15 10 27 f 1 14.6   8.6   ?    ?   142.766  80.2828      32.5836    80.2828      39.8885     -99.7172     
1 1 1 15 10 28 o 0 92.3   10.9  ?    ?   355.841  -18.9888     323.931    -18.9888     91.4633     -18.9888     
1 1 1 15 10 29 o 0 66.1   10    ?    ?   321.692  64.1841      250.058    64.1841      38.2228     64.1841      
1 1 1 15 10 30 o 0 18.5   8     ?    ?   141.93   69.7153      92.0486    69.7153      0.445386    -110.285     
1 1 1 15 10 31 o 0 15.7   9.3   ?    ?   317.865  99.9569      3.75889    -80.0431     203.742     -80.0431     
1 1 1 15 10 32 o 0 7.4    12.5  ?    ?   128.247  101.515      46.8692    101.515      30.5084     -78.4851     
1 1 1 15 10 33 o 0 110.4  13.7  ?    ?   347.398  -90.2966     364.036    -90.2966     157.459     -90.2966     
1 1 1 15 10 34 o 0 -10.2  9.1   ?    ?   119.509  -124.857     15.3254    55.1432      84.5259     55.1432      
1 1 1 15 10 35 o 0 16.1   10.1  ?    ?   159.272  126.132      95.6178    126.132      17.8141     126.132      
1 1 1 15 11 0  o 0 153.6  17.6  ?    ?   670.773  90           337.443    90           77.1387     -90          
1 1 1 15 11 1  o 0 597.7  45    ?    ?   1027.44  18.4989      678.124    18.4989      44.3454     18.4989      
1 1 1 15 11 2  o 0 1634.6 122.3 ?    ?   1198.54  -116.785     1423.09    -116.785     685.56      -116.785     
1 1 1 15 11 3  o 0 210.1  15.2  ?    ?   480.158  173.274      451.744    173.274      157.109     173.274      
1 1 1 15 11 4  o 0 76.9   6.2   ?    ?   206.64   163.312      240.501    163.312      114.103     163.312      
1 1 1 15 11 5  o 0 77.1   6.6   ?    ?   499.704  30.8397      129.602    30.8397      175.004     -149.16      
1 1 1 15 11 6  o 0 1051.1 78.7  ?    ?   1356.43  39.4097      892.909    39.4097      69.1187     39.4097      
1 1 1 15 11 7  o 0 582.1  44.1  ?    ?   1264.83  -112.638     507.625    -112.638     257.529     67.3624      
1 1 1 15 11 8  o 0 24.7   4.1   ?    ?   404.415  -165.787     32.05      14.2126      275.694     14.2126      
1 1 1 15 11 9  o 0 3.3    3.6   ?    ?   182.796  -148.618     83.5231    31.3818      193.178     31.3818      
1 1 1 15 11 10 o 0 148.2  11.3  ?    ?   672.59   171.74       215.539    171.74       185.262     -8.26003     
1 1 1 15 11 11 f 1 187.4  14    ?    ?   458.993  123.432      408.215    123.432      136.671     123.432      
1 1 1 15 11 12 o 0 7.9    5.5   ?    ?   180.679  -55.3601     55.2081    124.64       161.855     124.64       
1 1 1 15 11 13 o 0 147.8  14.7  ?    ?   488.469  179.574      308.356    179.574      21.4916     179.574      
1 1 1 15 11 14 o 0 84.4   8.9   ?    ?   349.984  -127.055     217.591    -127.055     13.1429     -127.055     
1 1 1 15 11 15 o 0 1273.3 95.8  ?    ?   1336.64  -15.6816     1014.54    -15.6816     229.103     -15.6816     
1 1 1 15 11 16 o 0 130.7  11.8  ?    ?   358.991  55.9263      349.88     55.9263      126.902     55.9263      
1 1 1 15 11 17 o 0 69     8.7   ?    ?   333.613  -154.876     188.807    -154.876     17.1356     25.1241      
1 1 1 15 11 18 o 0 49.4   9.4   ?    ?   308.739  70.2906      131.845    70.2906      59.4631     -109.709     
1 1 1 15 11 19 o 0 185.9  17.3  ?    ?   366.797  92.8544      458.358    92.8544      232.631     92.8544      
1 1 1 15 11 20 o 0 505.5  37.2  ?    ?   818.786  -153.611     676.75     -153.611     186.588     -153.611     
1 1 1 15 11 21 f 1 21.4   8.8   ?    ?   402.153  -120.084     38.2634    59.9162      276.55      59.9162      
1 1 1 15 11 22 o 0 174.9  15.6  ?    ?   498.11   -159.822     385.367    -159.822     107.542     -159.822     
1 1 1 15 11 23 o 0 54.5   10.7  ?    ?   148.551  -172.254     203.811    -172.254     121.667     -172.254     
1 1 1 15 11 24 o 0 155.3  16.5  ?    ?   493.889  110.742      351.066    110.742      89.9805     110.742      
1 1 1 15 11 25 o 0 31.3   8.7   ?    ?   315.186  -25.6095     85.3118    -25.6095     77.4152     154.39       
1 1 1 15 11 26 o 0 4.6    8.2   ?    ?   64.7319  171.386      3.09111    -8.61405     36.1719     -8.61405     
1 1 1 15 11 27 o 0 18     7.9   ?    ?   229.432  -151.63      50.5612    -151.63      100.035     28.3703      
1 1 1 15 11 28 o 0 56.1   9.1   ?    ?   312.791  -24.7109     218.113    -24.7109     11.0365     -24.7109     
1 1 1 15 11 29 o 0 87.9   10.9  ?    ?   313.617  -9.60391     327.603    -9.60391     122.448     -9.60391     
1 1 1 15 11 30 o 0 4.3    7.8   ?    ?   84.017   -38.3378     7.72466    -38.3378     46.6679     141.662      
1 1 1 15 11 31 o 0 17.2   9.3   ?    ?   141.069  -48.2902     86.1042    -48.2902     2.06604     131.71       
1 1 1 15 11 32 o 0 31.6   9.6   ?    ?   361.599  -148.058     72.8388    -148.058     143.906     31.9421      
1 1 1 15 11 33 o 0 26.9   10.4  ?    ?   301.559  39.3553      76.3802    39.3553      99.7561     -140.645     
1 1 1 15 11 34 o 0 28.7   10.1  ?    ?   317.863  -40.6023     84.2306    -40.6023     88.3454     139.398      
1 1 1 15 11 35 o 0 53.3   11.5  ?    ?   339.054  -45.1341     202.341    -45.1341     37.7801     -45.1341     
1 1 1 15 12 0  o 0 222.8  24.9  ?    ?   687.118  -90          402.457    -90          18.2486     90           
1 1 1 15 12 1  o 0 368    28.1  ?    ?   716.299  -36.4376     571.668    -36.4376     133.818     -36.4376     
1 1 1 15 12 3  o 0 934.3  64.8  ?    ?   1238.45  132.938      869.163    132.938      115.655     132.938      
1 1 1 15 12 4  f 1 85.4   8.6   ?    ?   460.699  9.52723      174.297    9.52723      104.478     -170.473     
1 1 1 15 12 5  o 0 11.3   3.8   ?    ?   143.597  -15.0112     30.4598    164.989      117.298     164.989      
1 1 1 15 12 6  o 0 586.9  41    ?    ?   630.394  -139.376     878.388    -139.376     498.492     -139.376     
1 1 1 15 12 7  f 1 288.8  19.4  ?    ?   609.345  69.5081      506.387    69.5081      141.479     69.5081      
1 1 1 15 12 8  o 0 50     5.2   ?    ?   381.583  34.0324      95.327     34.0324      132.379     -145.968     
1 1 1 15 12 9  o 0 29.5   4.5   ?    ?   282.928  -96.9424     42.6961    -96.9424     125.438     83.0576      
1 1 1 15 12 10 o 0 33.1   5     ?    ?   425.534  1.33669      3.80918    1.33669      247.97      -178.663     
1 1 1 15 12 11 o 0 983.5  81.6  ?    ?   1413.93  133.545      774.078    133.545      58.6965     -46.4552     
1 1 1 15 12 12 o 0 81.1   7.8   ?    ?   484.649  110.856      146.124    110.856      137.96      -69.1439     
1 1 1 15 12 13 o 0 11.3   5.3   ?    ?   91.5897  92.7812      14.1245    -87.2188     68.158      -87.2188     
1 1 1 15 12 14 o 0 102.9  11.7  ?    ?   289.725  158.763      292.128    158.763      122.104     158.763      
1 1 1 15 12 15 o 0 723.2  60.8  ?    ?   1249.06  13.5704      658.145    13.5704      116.883     -166.43      
1 1 1 15 12 16 o 0 131.6  11.9  ?    ?   304.449  -166.775     377.803    -166.775     188.057     -166.775     
1 1 1 15 12 17 o 0 6.3    6.8   ?    ?   46.8499  24.9016      12.6184    -155.098     41.6379     -155.098     
1 1 1 15 12 18 o 0 16.1   7.2   ?    ?   53.5373  -50.6335     5.16646    -50.6335     27.78       129.367      
1 1 1 15 12 19 o 0 170.3  13.8  ?    ?   564.009  173.954      329.437    173.954      8.33115     -6.04646     
1 1 1 15 12 20 o 0 140.9  12.4  ?    ?   311.995  -162.054     394.934    -162.054     209.447     -162.054     
1 1 1 15 12 21 o 0 22.3   8.5   ?    ?   224.21   50.5534      51.3771    50.5534      73.83       -129.447     
1 1 1 15 12 22 o 0 16.8   7.4   ?    ?   278.243  -92.6269     1.72157    -92.6269     152.395     87.3731      
1 1 1 15 12 23 o 0 30.4   8.3   ?    ?   268.565  148.338      94.1474    148.338      48.1317     -31.6618     
1 1 1 15 12 24 f 1 178.3  18.4  ?    ?   625.402  40.4734      327.466    40.4734      0.00709387  40.4734      
1 1 1 15 12 25 o 0 120.2  14    ?    ?   420.708  116.777      309.407    116.777      93.718      116.777      
1 1 1 15 12 26 o 0 24     8.5   ?    ?   118.414  -153.597     91.4991    -153.597     28.6333     -153.597     
1 1 1 15 12 27 o 0 28.1   7.8   ?    ?   135.795  158.602      145.635    158.602      57.1255     158.602      
1 1 1 15 12 28 o 0 40.9   8.4   ?    ?   266.722  -103.276     175.544    -103.276     0.203857    -103.276     
1 1 1 15 12 29 o 0 21     8.3   ?    ?   186.454  -152.977     95.4871    -152.977     25.8946     27.0226      
1 1 1 15 12 30 o 0 0.8    8     ?    ?   64.0818  -134.611     3.21378    -134.611     37.0868     45.3888      
1 1 1 15 12 31 o 0 7.5    8.7   ?    ?   168.653  1.80786      22.0375    1.80786      79.7477     -178.192     
1 1 1 15 12 32 f 1 34.3   10    ?    ?   315.621  -106.014     118.242    -106.014     67.0183     73.9863      
1 1 1 15 12 33 o 0 42.8   10.1  ?    ?   320.29   -178.052     164.428    -178.052     10.8946     1.94839      
1 1 1 15 12 34 o 0 17.1   12.5  ?    ?   84.8254  66.7086      111.255    66.7086      69.7178     66.7086      
1 1 1 15 13 0  o 0 102    16.7  ?    ?   454.837  -90          267.146    -90          8.6427      90           
1 1 1 15 13 1  o 0 1178.9 96.7  ?    ?   1350.71  -178.916     986.727    -178.916     168.818     -178.916     
1 1 1 15 13 2  o 0 328.7  31.2  ?    ?   501.422  -50.9339     625.234    -50.9339     322.152     -50.9339     
1 1 1 15 13 3  o 0 71.4   7     ?    ?   262.146  -111.371     211.761    -111.371     53.6624     -111.371     
1 1 1 15 13 4  o 0 3.6    3.6   ?    ?   367.721  79.539       171.004    -100.461     392.196     -100.461     
1 1 1 15 13 5  o 0 26.8   4.2   ?    ?   252.578  -132.831     37.0967    -132.831     114.06      47.1691      
1 1 1 15 13 6  o 0 78.9   6.9   ?    ?   353.841  164.328      204.587    164.328      6.48362     -15.6721     
1 1 1 15 13 7  o 0 586.5  41.1  ?    ?   797.415  32.9784      775.143    32.9784      301.149     32.9784      
1 1 1 15 13 8  o 0 15.5   4.3   ?    ?   219.992  -54.2908     19.7883    125.709      150.062     125.709      
1 1 1 15 13 9  o 0 9.4    4.8   ?    ?   74.9582  -59.6199     18.5832    120.38       62.7937     120.38       
1 1 1 15 13 10 o 0 21.3   5.1   ?    ?   284.297  -5.98486     2.27126    174.015      169.24      174.015      
1 1 1 15 13 11 o 0 393.4  28.5  ?    ?   579.7    -172.844     655.079    -172.844     312.234     -172.844     
1 1 1 15 13 12 o 0 4.9    5     ?    ?   87.7859  -119.228     31.5035    60.7721      83.1771     60.7721      
1 1 1 15 13 13 o 0 29.7   6.1   ?    ?   181.903  5.38549      66.1712    5.38549      40.3708     -174.615     
1 1 1 15 13 14 o 0 177.1  15.7  ?    ?   628.238  -63.264      305.025    -63.264      84.1513     116.736      
1 1 1 15 13 15 o 0 341.7  25.4  ?    ?   1049.71  60.2053      327.491    60.2053      325.862     -119.795     
1 1 1 15 13 16 o 0 82.1   9.2   ?    ?   601.749  20.4242      88.0426    20.4242      284.314     -159.576     
1 1 1 15 13 17 o 0 72.7   9.9   ?    ?   280.221  12.4716      223.794    12.4716      51.4631     12.4716      
1 1 1 15 13 18 o 0 70.5   8.8   ?    ?   393.524  7.28313      173.982    7.28313      61.6146     -172.717     
1 1 1 15 13 19 o 0 99.6   10.5  ?    ?   640.257  -133.396     123.02     -133.396     257.651     46.6039      
1 1 1 15 13 20 o 0 344.2  26.1  ?    ?   670.144  94.0067      570.795    94.0067      196.385     94.0067      
1 1 1 15 13 21 o 0 17.8   6.7   ?    ?   305.421  26.2268      0.870749   -153.773     170.192     -153.773     
1 1 1 15 13 22 o 0 7.4    6.8   ?    ?   217.952  -5.63187     30.2562    174.368      145.877     174.368      
1 1 1 15 13 23 o 0 176.3  21.8  ?    ?   581.599  -33.6366     341.401    -33.6366     35.5366     -33.6366     
1 1 1 15 13 24 o 0 106.3  15.9  ?    ?   497.745  -152.139     238.769    -152.139     17.0056     27.8607      
1 1 1 15 13 25 o 0 144.6  17.3  ?    ?   501.969  130.884      309.978    130.884      42.727      130.884      
1 1 1 15 13 26 f 1 27.6   8     ?    ?   84.3064  55.9802      123.9      55.9802      68.9064     55.9802      
1 1 1 15 13 27 o 0 17.2   7.7   ?    ?   88.2611  -8.36814     75.5471    -8.36814     17.2964     -8.36814     
1 1 1 15 13 28 o 0 108.7  11.9  ?    ?   507.027  32.3904      272.681    32.3904      58.8886     -147.61      
1 1 1 15 13 29 o 0 79     10.1  ?    ?   349.331  -177.602     280.725    -177.602     59.9057     -177.602     
1 1 1 15 13 30 o 0 6.9    7.4   ?    ?   105.597  101.042      22.4729    101.042      43.4428     -78.9582     
1 1 1 15 13 31 o 0 -0.9   9     ?    ?   153.798  101.186      7.333      -78.8137     99.4627     -78.8137     
1 1 1 15 13 32 o 0 58.5   10.6  ?    ?   434.28   1.57807      155.781    1.57807      97.8871     -178.422     
1 1 1 15 13 33 o 0 16.4   12    ?    ?   187.248  -140.198     72.3933    -140.198     29.3433     39.8017      
1 1 1 15 14 0  o 0 144.4  21.9  ?    ?   529.529  90           315.769    90           1.39497     -90          
1 1 1 15 14 1  o 0 148.7  15.5  ?    ?   449.173  164.772      335.9      164.772      67.1361     164.772      
1 1 1 15 14 2  o 0 950.2  78.3  ?    ?   1144.42  35.8701      915.476    35.8701      231.737     35.8701      
1 1 1 15 14 3  o 0 58.9   6.2   ?    ?   656.935  -15.6567     14.0199    164.343      405.749     164.343      
1 1 1 15 14 4  o 0 41.6   5.4   ?    ?   277.334  -151.825     100.082    -151.825     64.9058     28.1752      
1 1 1 15 14 5  o 0 2.1    4.3   ?    ?   217.848  28.0697      99.3343    -151.93      228.584     -151.93      
1 1 1 15 14 6  o 0 67.3   8.4   ?    ?   389.015  135.861      151.044    135.861      79.062      -44.1385     
1 1 1 15 14 7  o 0 92.8   8.5   ?    ?   549.626  -172.306     146.35     -172.306     177.681     7.6939       
1 1 1 15 14 8  o 0 52.7   6.4   ?    ?   249.146  118.368      149.236    118.368      2.88102     118.368      
1 1 1 15 14 9  o 0 10.6   4.8   ?    ?   20.3693  2.61696      3.46587    -177.383     15.5226     -177.383     
1 1 1 15 14 10 o 0 339.6  26.7  ?    ?   782.915  101.27       467.6      101.27       6.09624     101.27       
1 1 1 15 14 11 o 0 236.8  17.9  ?    ?   342.297  -55.8689     541.611    -55.8689     340.722     -55.8689     
1 1 1 15 14 12 o 0 55.3   7.3   ?    ?   446.604  -134.825     87.1529    -134.825     190.225     45.1754      
1 1 1 15 14 13 o 0 33.6   6.4   ?    ?   217.309  142.165      94.3163    142.165      41.3739     -37.8345     
1 1 1 15 14 14 o 0 26.7   6.5   ?    ?   48.2394  -160.039     30.0369    -160.039     0.0722977   -160.039     
1 1 1 15 14 15 o 0 987.9  69.4  ?    ?   1336.91  -97.8947     828.029    -97.8947     2.16087     -97.8947     
1 1 1 15 14 16 o 0 85     9.2   ?    ?   537.734  -62.2243     142.013    -62.2243     181.59      117.776      
1 1 1 15 14 17 o 0 35.1   7.3   ?    ?   245.036  93.4365      105.017    93.4365      41.5337     -86.5635     
1 1 1 15 14 18 o 0 24.7   6.4   ?    ?   260.942  -87.9513     47.1536    -87.9513     107.891     92.0487      
1 1 1 15 14 19 o 0 310    24.1  ?    ?   860.134  -0.685624    419.952    -0.685624    60.4749     179.314      
1 1 1 15 14 20 o 0 108.3  11.3  ?    ?   526.476  68.8047      223.077    68.8047      68.8322     -111.195     
1 1 1 15 14 21 f 1 20.9   7     ?    ?   212.229  -174.43      56.8766    -174.43      55.4806     5.56998      
1 1 1 15 14 22 o 0 22.9   7     ?    ?   246.021  64.4805      62.1476    64.4805      67.3639     -115.52      
1 1 1 15 14 23 o 0 1.4    8     ?    ?   199.906  -55.7472     38.3817    124.253      141.256     124.253      
1 1 1 15 14 24 f 1 327.2  28.8  ?    ?   511.756  -85.9557     602.781    -85.9557     330.492     -85.9557     
1 1 1 15 14 25 o 0 123.4  14.4  ?    ?   431.716  -56.8734     369.401    -56.8734     86.3709     -56.8734     
1 1 1 15 14 26 o 0 11.4   8.4   ?    ?   143.756  81.9591      38.428     81.9591      56.7313     -98.0409     
1 1 1 15 14 27 o 0 32.4   8     ?    ?   161.952  -73.247      182.267    -73.247      75.984      -73.247      
1 1 1 15 14 28 o 0 78.5   10.2  ?    ?   263.263  142.885      322.808    142.885      151.997     142.885      
1 1 1 15 14 29 o 0 63     9.8   ?    ?   295.45   -22.5162     251.851    -22.5162     66.5589     -22.5162     
1 1 1 15 14 30 o 0 9.9    7.7   ?    ?   107.762  -17.4633     45.1961    -17.4633     19.6994     162.537      
1 1 1 15 14 31 o 0 16.5   8.1   ?    ?   184.195  -58.8909     76.1437    -58.8909     32.0856     121.109      
1 1 1 15 14 32 o 0 7.2    9.1   ?    ?   117.554  51.6221      47.6261    51.6221      16.6639     -128.378     
1 1 1 15 14 33 o 0 18.6   12.1  ?    ?   126.486  55.2595      111.957    55.2595      50.0325     55.2595      
1 1 1 15 15 0  o 0 525.1  73.8  ?    ?   789.547  90           592.448    90           124.495     90           
1 1 1 15 15 1  o 0 19.7   6.4   ?    ?   282.669  143.138      11.6501    -36.8622     179.069     -36.8622     
1 1 1 15 15 2  o 0 340.8  32.1  ?    ?   529.348  175.664      617.201    175.664      304.052     175.664      
1 1 1 15 15 3  o 0 415.1  38.4  ?    ?   723.667  -23.3904     609.408    -23.3904     182.01      -23.3904     
1 1 1 15 15 4  f 1 74.9   8.1   ?    ?   424.852  -150.607     158.279    -150.607     91.4771     29.3932      
1 1 1 15 15 5  o 0 13.4   4.4   ?    ?   94.5378  -133.047     5.2202     46.9526      61.4439     46.9526      
1 1 1 15 15 6  o 0 1085.8 75.5  ?    ?   740.328  102.739      1236.35    102.739      797.287     102.739      
1 1 1 15 15 7  o 0 171.1  13.5  ?    ?   414.527  102.189      392.569    102.189      147.496     102.189      
1 1 1 15 15 8  o 0 43.3   6     ?    ?   308.551  -4.48046     99.5661    -4.48046     82.2285     175.52       
1 1 1 15 15 9  o 0 9      5.1   ?    ?   219.931  17.2826      62.9958    -162.717     200.255     -162.717     
1 1 1 15 15 10 o 0 304.9  22.5  ?    ?   936.46   12.7507      349.073    12.7507      233.035     -167.249     
1 1 1 15 15 11 o 0 262.9  21.8  ?    ?   659.823  41.9501      441.397    41.9501      28.7889     41.9501      
1 1 1 15 15 12 o 0 295.3  24.1  ?    ?   726.057  -151.759     452.124    -151.759     0.172629    -151.759     
1 1 1 15 15 13 o 0 15     5.9   ?    ?   124.736  149.943      1.32142    149.943      75.9455     -30.057      
1 1 1 15 15 14 o 0 128.1  12.8  ?    ?   641.235  -159.088     185.126    -159.088     210.031     20.9118      
1 1 1 15 15 15 o 0 30.1   6.7   ?    ?   388.69   175.065      20.8122    175.065      212.607     -4.9348      
1 1 1 15 15 16 o 0 174.9  16.2  ?    ?   315.204  104.167      465.871    104.167      277.684     104.167      
1 1 1 15 15 17 o 0 31.2   6.8   ?    ?   145.977  -103.566     111.937    -103.566     29.9487     -103.566     
1 1 1 15 15 18 f 1 128.1  11.1  ?    ?   283.461  -162.498     388.605    -162.498     230.848     -162.498     
1 1 1 15 15 19 o 0 10.3   6.1   ?    ?   280.328  130.646      43.5148    -49.3541     198.844     -49.3541     
1 1 1 15 15 20 o 0 38.4   7.2   ?    ?   127.468  66.1625      148.28     66.1625      80.6394     66.1625      
1 1 1 15 15 21 f 1 5.8    7.6   ?    ?   67.6669  -161.817     5.98873    18.1827      41.5248     18.1827      
1 1 1 15 15 22 o 0 139.2  15.2  ?    ?   422.86   22.4143      351.639    22.4143      133.894     22.4143      
1 1 1 15 15 23 o 0 33.9   8     ?    ?   291.599  51.5705      104.145    51.5705      51.5726     -128.429     
1 1 1 15 15 24 o 0 113.2  12.6  ?    ?   376.684  -122.359     375.861    -122.359     128.525     -122.359     
1 1 1 15 15 25 o 0 33.3   7.2   ?    ?   317.05   -129.883     111.798    -129.883     98.5051     50.1165      
1 1 1 15 15 26 o 0 5.3    7.2   ?    ?   104.083  -168.309     8.29242    -168.309     60.1896     11.6909      
1 1 1 15 15 27 o 0 34.7   8.1   ?    ?   215.459  -179.29      170.388    -179.29      30.1571     -179.29      
1 1 1 15 15 28 o 0 36.4   8.7   ?    ?   320.49   -128.416     125.717    -128.416     76.0189     51.5838      
1 1 1 15 15 29 o 0 15.4   7.5   ?    ?   213.736  173.204      53.6904    173.204      75.5723     -6.79631     
1 1 1 15 15 30 o 0 4.1    7.9   ?    ?   56.1856  -30.2747     19.3404    -30.2747     13.8335     149.725      
1 1 1 15 15 31 o 0 13.3   8.5   ?    ?   188.956  -158.813     60.57      -158.813     43.3353     21.1865      
1 1 1 15 15 32 o 0 3.5    11.8  ?    ?   107.271  13.9808      58.9089    13.9808      6.07159     13.9808      
1 1 1 15 16 0  o 0 29.6   10.3  ?    ?   299.553  -90          110.663    -90          66.9621     90           
1 1 1 15 16 1  o 0 12.5   5.7   ?    ?   343.931  133.691      81.5089    -46.3094     285.374     -46.3094     
1 1 1 15 16 2  o 0 451.2  42.1  ?    ?   697.325  -104.602     658.793    -104.602     245.819     -104.602     
1 1 1 15 16 3  o 0 111.8  9.9   ?    ?   315.303  139.473      307.56     139.473      121.083     139.473      
1 1 1 15 16 4  o 0 10.2   4.6   ?    ?   332.584  22.9945      93.7606    -157.006     290.106     -157.006     
1 1 1 15 16 5  o 0 9.9    4.9   ?    ?   239.18   -126.72      60.3347    53.2805      201.228     53.2805      
1 1 1 15 16 6  o 0 614.3  43.2  ?    ?   907.841  19.4121      763.74     19.4121      196.62      19.4121      
1 1 1 15 16 7  o 0 699.5  49.3  ?    ?   1166.96  -7.11092     692.527    -7.11092     34.3338     172.889      
1 1 1 15 16 8  o 0 18.6   5.5   ?    ?   312.687  -92.8845     19.8096    87.1155      215.944     87.1155      
1 1 1 15 16 9  f 1 7.6    5.4   ?    ?   48.1533  3.66671      12.4978    -176.333     42.5171     -176.333     
1 1 1 15 16 10 o 0 402.5  29.1  ?    ?   789.126  -50.6072     569.264    -50.6072     77.9585     -50.6072     
1 1 1 15 16 11 o 0 62.9   8     ?    ?   152.214  -62.2224     212.731    -62.2224     118.36      -62.2224     
1 1 1 15 16 12 o 0 79.2   8.9   ?    ?   464.111  115.447      156.04     115.447      130.411     -64.5525     
1 1 1 15 16 13 o 0 12.6   6.3   ?    ?   88.9609  -177.572     1.04522    -177.572     52.4979     2.42751      
1 1 1 15 16 14 o 0 73.7   9     ?    ?   390.13   125.519      185.737    125.519      47.866      -54.4814     
1 1 1 15 16 15 o 0 598.3  43    ?    ?   872.912  93.8004      742.398    93.8004      222.572     93.8004      
1 1 1 15 16 16 o 0 165.7  16.6  ?    ?   547      67.7124      342.723    67.7124      36.1732     67.7124      
1 1 1 15 16 17 o 0 4      5.3   ?    ?   73.6362  -8.24789     19.2095    171.752      60.2215     171.752      
1 1 1 15 16 18 o 0 27.2   7.4   ?    ?   256.667  100.281      83.5466    100.281      53.464      -79.7187     
1 1 1 15 16 19 o 0 143    14    ?    ?   632.799  -76.4219     258.715    -76.4219     76.7235     103.578      
1 1 1 15 16 20 o 0 202.2  16.4  ?    ?   434.876  -64.4261     472.904    -64.4261     247.258     -64.4261     
1 1 1 15 16 21 o 0 -4.7   6.4   ?    ?   67.1995  76.2678      21.043     -103.732     55.6382     -103.732     
1 1 1 15 16 22 o 0 -3.3   6.4   ?    ?   49.2805  -103.545     13.6227    76.4554      39.9446     76.4554      
1 1 1 15 16 23 f 1 62     9.2   ?    ?   448.547  -162.521     164.907    -162.521     129.054     17.4788      
1 1 1 15 16 24 o 0 262.8  27.3  ?    ?   566.166  87.5985      574.547    87.5985      198.572     87.5985      
1 1 1 15 16 25 o 0 3      8.1   ?    ?   130.336  101.128      2.0033     -78.8716     87.8991     -78.8716     
1 1 1 15 16 26 o 0 14.8   7.4   ?    ?   32.6475  52.2642      32.1029    52.2642      10.8087     52.2642      
1 1 1 15 16 27 o 0 15.5   6.8   ?    ?   96.8348  84.5828      80.8142    84.5828      19.6966     84.5828      
1 1 1 15 16 28 o 0 100.4  12.2  ?    ?   358.647  83.7862      340.213    83.7862      122.609     83.7862      
1 1 1 15 16 29 o 0 -9.8   7.6   ?    ?   50.5762  -101.83      8.11995    78.1703      38.0957     78.1703      
1 1 1 15 16 30 o 0 29.2   8.8   ?    ?   121.526  175.007      182.511    175.007      115.39      175.007      
1 1 1 15 16 31 f 1 -3.5   11    ?    ?   144.611  -140.299     29.3304    -140.299     42.0717     39.701       
1 1 1 15 17 0  o 0 65.9   17.3  ?    ?   527.365  -90          213.299    -90          115.376     90           
1 1 1 15 17 1  o 0 202.1  20    ?    ?   781.347  14.2709      265.277    14.2709      221.663     -165.729     
1 1 1 15 17 2  f 1 126.3  11.6  ?    ?   279.539  149.237      374.626    149.237      200.965     149.237      
1 1 1 15 17 3  o 0 190.6  14.7  ?    ?   658.745  -166.188     314.659    -166.188     99.4281     13.812       
1 1 1 15 17 4  f 1 4.7    4.6   ?    ?   254.123  83.4379      101.654    -96.5621     260.742     -96.5621     
1 1 1 15 17 5  o 0 39.9   5.7   ?    ?   101.915  176.533      106.217    176.533      42.3755     176.533      
1 1 1 15 17 6  o 0 310.4  22.7  ?    ?   1076.77  137.525      265.992    137.525      406.935     -42.4749     
1 1 1 15 17 7  o 0 105.7  9.9   ?    ?   528.37   -2.29332     196.908    -2.29332     132.4       177.707      
1 1 1 15 17 8  o 0 106.7  9.7   ?    ?   461.847  -61.3752     235.885    -61.3752     51.0781     118.625      
1 1 1 15 17 9  o 0 72.7   7.7   ?    ?   189.646  -123.329     249.161    -123.329     131.729     -123.329     
1 1 1 15 17 10 o 0 128.3  11.1  ?    ?   793.297  -106.349     109.301    -106.349     370.23      73.6507      
1 1 1 15 17 11 o 0 191.8  18.3  ?    ?   653.704  -140.579     321.411    -140.579     72.1251     39.4215      
1 1 1 15 17 12 o 0 63.9   9.1   ?    ?   469.646  68.1906      112.732    68.1906      168.751     -111.809     
1 1 1 15 17 13 o 0 10.6   5.9   ?    ?   197.086  4.59276      28.0998    -175.407     145.662     -175.407     
1 1 1 15 17 14 o 0 46.7   6.9   ?    ?   299.617  -48.3112     147.514    -48.3112     20.8016     131.689      
1 1 1 15 17 15 o 0 463.9  34    ?    ?   1008.87  -16.1619     540.133    -16.1619     23.5309     163.838      
1 1 1 15 17 16 o 0 42.7   7.8   ?    ?   206.083  152.93       158.489    152.93       44.0173     152.93       
1 1 1 15 17 17 o 0 3.3    6.5   ?    ?   92.8019  152.346      18.4807    -27.6541     67.9053     -27.6541     
1 1 1 15 17 18 o 0 1.9    5.3   ?    ?   70.7129  -22.1026     19.4332    157.897      56.8458     157.897      
1 1 1 15 17 19 o 0 174.3  14.4  ?    ?   481.828  -52.7203     399.301    -52.7203     149.669     -52.7203     
1 1 1 15 17 20 o 0 107.6  10.3  ?    ?   335.281  -61.8556     320.728    -61.8556     148.309     -61.8556     
1 1 1 15 17 21 f 1 0.7    6.5   ?    ?   34.6743  -59.8199     6.35114    120.18       24.8115     120.18       
1 1 1 15 17 22 o 0 63.6   12.6  ?    ?   275.265  117.694      263.851    117.694      83.0284     117.694      
1 1 1 15 17 23 o 0 22.6   7.2   ?    ?   60.7357  -155.8       93.6967    -155.8       53.3545     -155.8       
1 1 1 15 17 24 o 0 11.6   7.2   ?    ?   92.9659  -9.32812     44.8834    -9.32812     16.4275     170.672      
1 1 1 15 17 25 o 0 27     7.1   ?    ?   286.1    52.8581      92.8668    52.8581      93.9656     -127.142     
1 1 1 15 17 26 o 0 -4.5   7.9   ?    ?   66.1476  -27.6063     8.31814    152.394      50.1389     152.394      
1 1 1 15 17 27 o 0 126.8  14.1  ?    ?   571.596  29.5186      287.962    29.5186      59.6233     -150.481     
1 1 1 15 17 28 o 0 -4.4   8     ?    ?   107.385  133.148      6.76151    -46.8517     70.5844     -46.8517     
1 1 1 15 17 29 o 0 4.9    8.3   ?    ?   49.1712  -124.379     28.2452    -124.379     0.996371    -124.379     
1 1 1 15 17 30 o 0 -0.6   8.4   ?    ?   133.439  -72.0029     9.23096    -72.0029     63.7844     107.997      
1 1 1 15 17 31 o 0 -3.2   10.3  ?    ?   85.2791  -167.176     33.6242    -167.176     8.19797     12.8245      
1 1 1 15 18 0  o 0 -2.3   11.4  ?    ?   118.17   -90          9.27388    -90          64.2442     90           
1 1 1 15 18 1  f 1 423.3  40.4  ?    ?   1097.31  4.61972      406.396    4.61972      274.702     -175.38      
1 1 1 15 18 2  o 0 911.4  75.5  ?    ?   1048.56  -169.46      937.686    -169.46      285.361     -169.46      
1 1 1 15 18 3  o 0 191.5  15.6  ?    ?   657.216  168.342      313.426    168.342      95.1164     -11.6585     
1 1 1 15 18 4  o 0 13.5   5.1   ?    ?   69.2313  136.107      1.12402    -43.8931     44.1057     -43.8931     
1 1 1 15 18 5  o 0 54.2   6.4   ?    ?   290.596  -100.783     158.634    -100.783     21.4725     79.2169      
1 1 1 15 18 6  o 0 125.7  11.8  ?    ?   511.647  18.5107      264.279    18.5107      45.7917     -161.489     
1 1 1 15 18 7  o 0 94.4   8.9   ?    ?   144.455  36.1071      326.882    36.1071      239.56      36.1071      
1 1 1 15 18 8  f 1 10.5   6.3   ?    ?   283.569  -35.5613     57.5287    144.439      228.01      144.439      
1 1 1 15 18 9  o 0 14.8   6.1   ?    ?   275.314  22.5722      23.6369    -157.428     189.04      -157.428     
1 1 1 15 18 10 o 0 58.6   8     ?    ?   441.802  -23.8779     109.589    -23.8779     154.875     156.122      
1 1 1 15 18 11 o 0 4.9    5.6   ?    ?   100.142  -24.7141     23.1608    155.286      79.6786     155.286      
1 1 1 15 18 12 o 0 7.2    5.8   ?    ?   253.797  143.881      56.1688    -36.1187     198.786     -36.1187     
1 1 1 15 18 13 o 0 30.5   6.4   ?    ?   269.557  15.0632      88.0872    15.0632      62.6762     -164.937     
1 1 1 15 18 14 o 0 50.1   7.8   ?    ?   322.218  -79.4524     148.836    -79.4524     30.4718     100.548      
1 1 1 15 18 15 o 0 65.3   9.1   ?    ?   464.834  -138.374     144.46     -138.374     103.747     41.6257      
1 1 1 15 18 16 o 0 171.3  14.2  ?    ?   579.201  -172.512     344.148    -172.512     36.6643     -172.512     
1 1 1 15 18 17 o 0 18.7   7.5   ?    ?   104.313  -27.7651     53.3476    -27.7651     0.923744    152.235      
1 1 1 15 18 18 o 0 37.5   6.3   ?    ?   245.78   -120.503     140.98     -120.503     13.9489     -120.503     
1 1 1 15 18 19 o 0 330    24.5  ?    ?   794.273  121.571      469.029    121.571      42.5648     121.571      
1 1 1 15 18 20 o 0 18.3   5.9   ?    ?   145.309  163.755      80.4611    163.755      15.6423     -16.2453     
1 1 1 15 18 21 o 0 7.6    6.1   ?    ?   202.275  -118.917     13.1124    61.0834      148.507     61.0834      
1 1 1 15 18 22 o 0 33.7   7.3   ?    ?   227.83   -149.358     162.219    -149.358     10.9924     -149.358     
1 1 1 15 18 23 o 0 54.2   8.4   ?    ?   190.074  -15.0225     275.745    -15.0225     150.42      -15.0225     
1 1 1 15 18 24 o 0 15.8   6.7   ?    ?   150.506  -61.9856     80.7243    -61.9856     15.4481     118.014      
1 1 1 15 18 25 f 1 30.2   7.1   ?    ?   156.475  94.9349      177.296    94.9349      78.5479     94.9349      
1 1 1 15 18 26 o 0 33.5   7.5   ?    ?   215.263  -94.9018     172.469    -94.9018     41.4042     -94.9018     
1 1 1 15 18 27 o 0 -4.2   7.2   ?    ?   92.6858  -147.384     8.74162    32.616       63.9261     32.616       
1 1 1 15 18 28 o 0 160.5  15.4  ?    ?   522.9    -41.039      409.464    -41.039      119.02      -41.039      
1 1 1 15 18 29 o 0 45.1   10.8  ?    ?   298.481  167.794      179.863    167.794      16.0694     167.794      
1 1 1 15 18 30 o 0 4.9    8.1   ?    ?   87.8298  57.83        49.426     57.83        6.20425     57.83        
1 1 1 15 19 0  o 0 12.4   10.1  ?    ?   3.29255  90           0.725847   90           1.25619     -90          
1 1 1 15 19 1  o 0 76.7   7.9   ?    ?   344.764  134.01       218.953    134.01       11.2991     134.01       
1 1 1 15 19 2  o 0 547    42.3  ?    ?   826.319  3.85596      722.069    3.85596      224.37      3.85596      
1 1 1 15 19 3  o 0 199.5  15.8  ?    ?   534.294  -63.4083     404.578    -63.4083     82.9333     -63.4083     
1 1 1 15 19 4  o 0 99.4   8.9   ?    ?   335.336  -154.762     287.953    -154.762     86.2832     -154.762     
1 1 1 15 19 5  o 0 61.9   7.1   ?    ?   336.892  -52.5877     174.385    -52.5877     27.9243     127.412      
1 1 1 15 19 6  o 0 79.9   9.1   ?    ?   547.161  160.051      121.043    160.051      206.912     -19.9494     
1 1 1 15 19 7  o 0 141.7  12.5  ?    ?   502.484  100.01       301.904    100.01       1.42611     100.01       
1 1 1 15 19 8  o 0 126.7  10.4  ?    ?   507.162  -53.4023     283.359    -53.4023     2.93739     126.598      
1 1 1 15 19 9  o 0 31.4   5.9   ?    ?   177.772  139.542      114.539    139.542      14.4974     139.542      
1 1 1 15 19 10 o 0 108.6  10.4  ?    ?   459.129  -32.7671     261.714    -32.7671     4.24052     -32.7671     
1 1 1 15 19 11 o 0 283.9  23.2  ?    ?   618.116  -76.1666     509.181    -76.1666     163.889     -76.1666     
1 1 1 15 19 12 o 0 48.2   8.8   ?    ?   439.896  -142.472     97.3693    -142.472     138.704     37.5278      
1 1 1 15 19 13 o 0 39.5   7.4   ?    ?   303.465  146.278      123.741    146.278      38.364      -33.7217     
1 1 1 15 19 14 o 0 29.3   5.9   ?    ?   312.604  -66.5683     74.1931    -66.5683     91.9601     113.432      
1 1 1 15 19 15 o 0 355.4  26.2  ?    ?   858.216  -133.249     497.4      -133.249     49.992      -133.249     
1 1 1 15 19 16 o 0 90.7   9     ?    ?   389.799  137.314      256.652    137.314      54.6134     137.314      
1 1 1 15 19 17 o 0 38.3   6.4   ?    ?   335.225  46.8366      109.404    46.8366      63.2753     -133.163     
1 1 1 15 19 18 o 0 -1.5   5.2   ?    ?   161.082  -168.751     63.8473    11.2493      170.867     11.2493      
1 1 1 15 19 19 o 0 5.1    5.4   ?    ?   136.951  158.036      22.0373    -21.9635     112.386     -21.9635     
1 1 1 15 19 20 o 0 31.6   6.6   ?    ?   199.649  17.1991      165.955    17.1991      32.5953     17.1991      
1 1 1 15 19 21 o 0 -1.8   6     ?    ?   80.0829  165.034      22.5358    -14.9657     75.6053     -14.9657     
1 1 1 15 19 22 o 0 28.4   6.8   ?    ?   202.162  -97.4184     146.223    -97.4184     13.0848     -97.4184     
1 1 1 15 19 23 f 1 29.6   6.8   ?    ?   173.005  160.423      170.069    160.423      59.8822     160.423      
1 1 1 15 19 24 o 0 232.9  19.2  ?    ?   563.788  76.3838      519.265    76.3838      162.637     76.3838      
1 1 1 15 19 25 o 0 48.7   8.1   ?    ?   284.412  -72.4208     208.286    -72.4208     35.074      -72.4208     
1 1 1 15 19 26 o 0 6.3    6.9   ?    ?   101.169  -141.203     29.255     -141.203     31.0269     38.7971      
1 1 1 15 19 27 o 0 14.2   8.5   ?    ?   203.523  -163.569     60.8571    -163.569     52.3356     16.4311      
1 1 1 15 19 28 o 0 23.4   7.6   ?    ?   251.91   95.3144      115.231    95.3144      10.5513     -84.6856     
1 1 1 15 19 29 f 1 -6.2   9.7   ?    ?   109.806  -24.2133     21.6537    -24.2133     32.3724     155.787      
1 1 1 15 20 0  o 0 15.1   10.6  ?    ?   138.624  -90          37.5219    -90          40.432      90           
1 1 1 15 20 1  o 0 34.9   7.3   ?    ?   225.045  -94.337      122.846    -94.337      3.81215     85.663       
1 1 1 15 20 2  o 0 43.8   7.3   ?    ?   383.601  46.4816      98.8587    46.4816      117.098     -133.518     
1 1 1 15 20 3  o 0 39.7   8.8   ?    ?   188.104  0.186106     150.247    0.186106     44.376      0.186106     
1 1 1 15 20 4  o 0 11.9   6.8   ?    ?   76.1453  -35.7465     5.52459    -35.7465     37.3005     144.253      
1 1 1 15 20 5  o 0 75.7   8.6   ?    ?   410.195  101.17       195.967    101.17       34.449      -78.8299     
1 1 1 15 20 6  o 0 81.6   8.1   ?    ?   326.979  -75.5219     252.185    -75.5219     68.8221     -75.5219     
1 1 1 15 20 7  o 0 40.7   6     ?    ?   399.491  -112.977     78.6153    -112.977     144.936     67.0231      
1 1 1 15 20 8  o 0 2.8    5.1   ?    ?   47.379   -117.584     14.2417    62.4155      40.6872     62.4155      
1 1 1 15 20 9  o 0 55.3   8.2   ?    ?   323.668  -162.733     176.603    -162.733     2.8203      -162.733     
1 1 1 15 20 10 o 0 331.9  27.1  ?    ?   675.409  27.6077      558.389    27.6077      196.967     27.6077      
1 1 1 15 20 11 o 0 47.3   7     ?    ?   429.222  -46.5357     99.395     -46.5357     129.427     133.464      
1 1 1 15 20 12 o 0 48.2   6.6   ?    ?   300.233  -150.736     158.736    -150.736     0.657349    29.2641      
1 1 1 15 20 13 o 0 11.6   6.9   ?    ?   137.519  158.111      16.5964    158.111      55.0731     -21.889      
1 1 1 15 20 14 o 0 19.8   5.6   ?    ?   223.139  45.6734      60.1203    45.6734      55.5978     -134.327     
1 1 1 15 20 15 o 0 62.6   7.7   ?    ?   332.328  107.685      198.461    107.685      27.038      107.685      
1 1 1 15 20 16 o 0 41.9   6.4   ?    ?   333.002  -85.9675     120.963    -85.9675     57.7073     94.0325      
1 1 1 15 20 17 o 0 5.5    5.3   ?    ?   105.967  128.881      12.8466    -51.1193     82.9712     -51.1193     
1 1 1 15 20 18 o 0 16.7   5.6   ?    ?   245.773  -173.811     44.0506    -173.811     120.773     6.18901      
1 1 1 15 20 19 o 0 21.8   5.9   ?    ?   205.937  -68.3283     103.197    -68.3283     33.9415     111.672      
1 1 1 15 20 20 o 0 146    13.5  ?    ?   492.719  54.9525      385.287    54.9525      58.9104     54.9525      
1 1 1 15 20 21 o 0 8.5    5.8   ?    ?   74.8011  157.988      20.8938    157.988      28.2612     -22.012      
1 1 1 15 20 22 o 0 -0.3   5.8   ?    ?   62.2507  155.053      9.18531    -24.9468     48.8671     -24.9468     
1 1 1 15 20 23 o 0 37     6.7   ?    ?   353.953  152.26       120.052    152.26       97.396      -27.7396     
1 1 1 15 20 24 o 0 60.3   8.5   ?    ?   359.658  -142.41      213.045    -142.41      5.82975     37.5899      
1 1 1 15 20 25 f 1 27.5   7.1   ?    ?   113.384  -32.8453     178.236    -32.8453     110.866     -32.8453     
1 1 1 15 20 26 o 0 18.3   8.3   ?    ?   183.743  120.35       94.9328    120.35       7.28615     -59.6497     
1 1 1 15 20 27 o 0 2.7    10.2  ?    ?   139.84   18.1153      44.0178    18.1153      25.8618     -161.885     
1 1 1 15 21 0  o 0 6.3    11.3  ?    ?   99.8978  -90          15.0608    -90          40.3431     90           
1 1 1 15 21 1  o 0 55.8   8.4   ?    ?   167.491  33.8268      212.64     33.8268      119.644     33.8268      
1 1 1 15 21 2  o 0 182.2  18.5  ?    ?   587.007  -170.002     349.456    -170.002     23.3512     -170.002     
1 1 1 15 21 3  o 0 87.6   10.1  ?    ?   312.504  -105.775     281.068    -105.775     113.573     -105.775     
1 1 1 15 21 4  o 0 60.8   7.4   ?    ?   343.808  46.0528      187.073    46.0528      2.89138     46.0528      
1 1 1 15 21 5  o 0 31.4   6     ?    ?   128.277  109.813      119.134    109.813      50.4827     109.813      
1 1 1 15 21 6  o 0 309.8  21.7  ?    ?   752.381  35.9604      489.984    35.9604      87.9153     35.9604      
1 1 1 15 21 7  f 1 62.1   7.8   ?    ?   362.644  -87.9484     182.416    -87.9484     10.5088     92.0516      
1 1 1 15 21 8  o 0 30.9   6.3   ?    ?   396.292  -162.954     45.596     -162.954     165.274     17.0463      
1 1 1 15 21 9  o 0 9.3    5.4   ?    ?   153.529  -132.383     8.1704     47.6175      89.6362     47.6175      
1 1 1 15 21 10 f 1 44.9   6.9   ?    ?   483.73   121.273      70.1009    121.273      181.554     -58.7266     
1 1 1 15 21 11 o 0 45.2   7.2   ?    ?   312.49   91.2767      147.353    91.2767      15.0439     -88.7233     
1 1 1 15 21 12 f 1 11.3   5.4   ?    ?   485.17   -91.4296     106.519    88.5704      356.99      88.5704      
1 1 1 15 21 13 o 0 17.9   5.4   ?    ?   174.061  -136.001     63.9763    -136.001     29.8551     43.9993      
1 1 1 15 21 14 o 0 99.2   9.5   ?    ?   479.825  -122.098     279.29     -122.098     40.1508     57.902       
1 1 1 15 21 15 o 0 47.5   8.7   ?    ?   221.068  -109.753     229.667    -109.753     83.2696     -109.753     
1 1 1 15 21 16 o 0 251.3  21.1  ?    ?   559.931  47.5454      574.538    47.5454      198.432     47.5454      
1 1 1 15 21 17 o 0 4.2    5.6   ?    ?   100.701  -134.667     8.90382    45.3334      76.1295     45.3334      
1 1 1 15 21 18 f 1 11.8   5.4   ?    ?   243.804  27.6925      5.81837    27.6925      155.81      -152.307     
1 1 1 15 21 19 o 0 7.9    5.9   ?    ?   87.2739  62.6677      18.5155    62.6677      39.0838     -117.332     
1 1 1 15 21 20 o 0 32     6.9   ?    ?   118.732  -165.245     197.871    -165.245     121.787     -165.245     
1 1 1 15 21 21 o 0 4.1    5.6   ?    ?   195.51   -52.4816     28.1565    127.518      152.446     127.518      
1 1 1 15 21 22 o 0 1.3    5.4   ?    ?   90.0791  25.5191      8.40535    -154.481     63.6201     -154.481     
1 1 1 15 21 23 f 1 4.5    5.2   ?    ?   201.695  -172.221     18.6955    7.7793       139.525     7.7793       
1 1 1 15 21 24 o 0 17.5   6.4   ?    ?   100.4    -131.189     107.715    -131.189     47.9827     -131.189     
1 1 1 15 21 25 o 0 17.8   7.1   ?    ?   236.401  64.7644      71.6902    64.7644      59.7218     -115.236     
1 1 1 15 21 26 o 0 0.2    6.7   ?    ?   111.787  80.0911      20.4879    80.0911      35.3592     -99.9089     
1 1 1 15 22 0  f 1 8.3    10.8  ?    ?   193.013  90           31.8193    90           69.7074     -90          
1 1 1 15 22 1  o 0 109.4  12.2  ?    ?   388.694  165.999      298.302    165.999      93.0315     165.999      
1 1 1 15 22 2  f 1 94.2   10.7  ?    ?   492.048  -124.597     212.749    -124.597     46.6487     55.4027      
1 1 1 15 22 3  o 0 77     9.5   ?    ?   276.392  -56.0754     260.661    -56.0754     114.537     -56.0754     
1 1 1 15 22 4  o 0 46.8   6.8   ?    ?   333.73   96.2921      145.328    96.2921      28.6183     -83.7079     
1 1 1 15 22 5  o 0 35.9   7.1   ?    ?   414.737  -62.0778     64.8577    -62.0778     151.146     117.922      
1 1 1 15 22 6  o 0 204.5  18.1  ?    ?   699.959  113.059      347.495    113.059      16.6024     -66.9412     
1 1 1 15 22 7  f 1 95.7   8.9   ?    ?   394.263  35.1942      268.974    35.1942      64.7711     35.1942      
1 1 1 15 22 8  o 0 37.7   7.1   ?    ?   213.808  -2.84334     150.833    -2.84334     40.0511     -2.84334     
1 1 1 15 22 9  o 0 33.8   6.2   ?    ?   333.757  -21.1313     91.1435    -21.1313     81.3332     158.869      
1 1 1 15 22 10 o 0 20.1   5.9   ?    ?   28.6651  56.2714      29.086     56.2714      13.6363     56.2714      
1 1 1 15 22 11 o 0 414.2  30.2  ?    ?   754.915  126.172      736.556    126.172      233.381     126.172      
1 1 1 15 22 12 o 0 12.8   5.4   ?    ?   134.528  -136.187     37.3065    -136.187     52.0075     43.813       
1 1 1 15 22 13 o 0 12.4   5.3   ?    ?   67.8997  -99.6756     40.2833    -99.6756     5.50245     80.3244      
1 1 1 15 22 14 f 1 8.2    5.7   ?    ?   150.527  -103.693     8.12532    -103.693     92.6306     76.3067      
1 1 1 15 22 15 o 0 184.6  15.9  ?    ?   463.323  -53.1828     498.653    -53.1828     189.35      -53.1828     
1 1 1 15 22 16 o 0 274.7  24    ?    ?   702.944  136.889      511.916    136.889      44.278      136.889      
1 1 1 15 22 17 o 0 2.4    7.5   ?    ?   63.3927  -57.2254     1.07643    -57.2254     40.8386     122.775      
1 1 1 15 22 18 o 0 42.8   8.5   ?    ?   252.575  84.0062      197.821    84.0061      35.5202     84.0061      
1 1 1 15 22 19 o 0 64.8   11.3  ?    ?   254.676  -128.127     281.723    -128.127     119.219     -128.127     
1 1 1 15 22 20 o 0 138.1  16.7  ?    ?   527.783  -108.747     340.821    -108.747     15.7962     -108.747     
1 1 1 15 22 21 o 0 6.6    9.2   ?    ?   106.467  78.9047      32.2866    78.9047      32.7578     -101.095     
1 1 1 15 22 22 o 0 9.5    7.6   ?    ?   84.4455  -63.4138     48.7941    -63.4138     1.78166     116.586      
1 1 1 15 22 23 o 0 32.3   10.6  ?    ?   243.48   -38.4468     145.042    -38.4468     8.65311     -38.4468     
1 1 1 15 22 24 o 0 40.8   6.9   ?    ?   287.865  28.2852      200.494    28.2852      55.4242     28.2852      
1 1 1 15 22 25 o 0 3.5    5.9   ?    ?   143.165  -116.136     23.9447    -116.136     47.4841     63.8641      
1 1 1 15 23 0  o 0 -12.9  8.3   ?    ?   29.8028  90           1.2407     90           14.0249     -90          
1 1 1 15 23 1  o 0 19.5   6.5   ?    ?   226.918  -65.2859     51.8308    -65.2859     64.5954     114.714      
1 1 1 15 23 2  o 0 80.3   9.9   ?    ?   345.064  134.303      244.13     134.303      66.8941     134.303      
1 1 1 15 23 3  o 0 222.1  22.1  ?    ?   721.975  83.7635      357.691    83.7635      13.334      -96.2365     
1 1 1 15 23 4  o 0 16.9   7.6   ?    ?   111.034  -113.519     53.1064    -113.519     6.58826     66.4805      
1 1 1 15 23 5  o 0 64.8   7.8   ?    ?   283.347  66.0419      223.018    66.0419      70.7658     66.0419      
1 1 1 15 23 6  o 0 151.4  13.3  ?    ?   501.657  -174.563     330.736    -174.563     61.4577     -174.563     
1 1 1 15 23 7  o 0 18.7   5.3   ?    ?   192.58   -103.64      79.8467    -103.64      48.2441     76.3597      
1 1 1 15 23 8  o 0 37     6.4   ?    ?   288.64   8.02077      148.983    8.02077      42.6156     -171.979     
1 1 1 15 23 9  o 0 1.5    4.9   ?    ?   15.09    -21.4658     4.4539     158.534      14.4458     158.534      
1 1 1 15 23 10 o 0 116    11.5  ?    ?   464.529  -33.8962     331.621    -33.8962     18.7577     -33.8962     
1 1 1 15 23 11 o 0 85.7   8.6   ?    ?   379.898  -52.1677     292.535    -52.1677     37.5367     -52.1677     
1 1 1 15 23 12 o 0 0.8    5.2   ?    ?   78.7938  159.715      19.7222    -20.2848     72.4086     -20.2848     
1 1 1 15 23 13 o 0 2.5    5.6   ?    ?   171.805  26.1981      35.5872    -153.802     150.228     -153.802     
1 1 1 15 23 14 o 0 -6.5   5.6   ?    ?   30.1171  -12.4331     11.517     167.567      31.5185     167.567      
1 1 1 15 23 15 f 1 258.9  24    ?    ?   502.978  78.2293      605.498    78.2293      274.035     78.2293      
1 1 1 15 23 16 o 0 43.1   9.1   ?    ?   227.178  -148.871     211.515    -148.871     65.5052     -148.871     
1 1 1 15 23 17 o 0 8.6    7.7   ?    ?   135.856  -115.276     30.3155    -115.276     56.4714     64.7243      
1 1 1 15 23 18 o 0 119.2  15.2  ?    ?   395.87   -172.371     371.917    -172.371     127.612     -172.371     
1 1 1 15 23 19 o 0 73.3   11.9  ?    ?   245.622  -116.519     316.255    -116.519     165.734     -116.519     
1 1 1 15 23 20 o 0 172.5  20.5  ?    ?   616.842  21.6022      360.482    21.6022      10.4586     -158.398     
1 1 1 15 23 21 o 0 12.5   10.9  ?    ?   93.3496  146.983      81.4674    146.983      28.911      146.983      
1 1 1 15 23 22 o 0 22.4   8.7   ?    ?   160.518  -62.2077     128.077    -62.2077     38.4677     -62.2077     
1 1 1 15 23 23 o 0 8      7.7   ?    ?   141.913  13.5683      56.2856    13.5683      15.0232     -166.432     
1 1 1 15 24 0  o 0 16.2   10.1  ?    ?   114.106  -90          52.8921    -90          21.7977     90           
1 1 1 15 24 1  o 0 68.2   10.8  ?    ?   280.492  -98.995      281.819    -98.995      97.8636     -98.995      
1 1 1 15 24 2  o 0 103.7  11.5  ?    ?   463.869  -10.8412     296.133    -10.8412     8.4954      169.159      
1 1 1 15 24 3  f 1 151.9  14.7  ?    ?   489.376  64.7677      408.483    64.7677      81.227      64.7677      
1 1 1 15 24 4  o 0 21.2   5.8   ?    ?   222.687  -73.4992     92.4471    -73.4992     56.885      106.501      
1 1 1 15 24 5  o 0 46.9   7.6   ?    ?   267.309  67.4997      208.554    67.4997      29.3551     67.4997      
1 1 1 15 24 6  o 0 98.4   11.2  ?    ?   415.519  24.1138      307.828    24.1138      29.5035     24.1138      
1 1 1 15 24 7  f 1 158.5  14.5  ?    ?   468.279  -150.664     437.496    -150.664     125.056     -150.664     
1 1 1 15 24 8  o 0 22.6   5.9   ?    ?   305.684  -147.949     57.0718    -147.949     147.036     32.0506      
1 1 1 15 24 9  o 0 3.6    5.8   ?    ?   43.6282  128.073      0.624856   -51.9271     29.7524     -51.9271     
1 1 1 15 24 10 o 0 15.1   5.4   ?    ?   169.642  -142.556     67.0432    -142.556     45.9001     37.444       
1 1 1 15 24 11 o 0 163.9  13.5  ?    ?   490.67   -74.9303     431.832    -74.9303     106.217     -74.9303     
1 1 1 15 24 12 o 0 6      4.9   ?    ?   87.8941  54.7053      3.89854    54.7053      54.2128     -125.295     
1 1 1 15 24 13 o 0 0.7    5.4   ?    ?   70.3288  156.719      10.3224    -23.281      55.6201     -23.281      
1 1 1 15 24 14 o 0 8.5    5.4   ?    ?   91.7328  -156.003     28.6952    -156.003     30.115      23.9968      
1 1 1 15 24 15 o 0 3.2    7.8   ?    ?   126.86   76.5748      8.3447     76.5748      70.3386     -103.425     
1 1 1 15 24 16 o 0 42.3   8.1   ?    ?   432.892  8.11826      97.8234    8.11826      169.183     -171.882     
1 1 1 15 24 17 o 0 11.2   7.3   ?    ?   81.6607  50.7019      59.7346    50.7019      10.2365     50.7019      
1 1 1 15 24 18 o 0 -3     6.3   ?    ?   65.9288  -21.1067     6.87652    158.893      46.5795     158.893      
1 1 1 15 24 19 o 0 0      6.3   ?    ?   37.7269  40.07        5.64735    40.07        15.6445     -139.93      
1 1 1 15 24 20 o 0 44.9   7     ?    ?   392.15   117.164      148.645    117.164      71.0231     -62.8355     
1 1 1 15 24 21 o 0 -2.2   5.2   ?    ?   117.173  -170.155     1.80909    9.84549      60.9484     9.84549      
1 1 1 15 25 0  o 0 14.5   7.8   ?    ?   193.042  90           82.473     90           44.5924     -90          
1 1 1 15 25 1  o 0 143.5  14.4  ?    ?   664.222  -173.013     267.013    -173.013     171.151     6.9866       
1 1 1 15 25 3  o 0 108.7  13.6  ?    ?   467.794  -2.65254     297.572    -2.65254     11.819      177.347      
1 1 1 15 25 4  o 0 -0.3   6.2   ?    ?   79.2672  -128.559     14.9117    51.441       67.3612     51.441       
1 1 1 15 25 5  o 0 15.6   5.6   ?    ?   162.461  9.54136      72.4355    9.54136      35.0519     -170.459     
1 1 1 15 25 6  o 0 184.3  16.4  ?    ?   339.738  -176.08      566.426    -176.08      341.79      -176.08      
1 1 1 15 25 7  o 0 19.5   5.8   ?    ?   148.247  -122.236     109.927    -122.236     12.0169     -122.236     
1 1 1 15 25 8  f 1 14.2   5.5   ?    ?   23.3475  84.227       23.3358    84.2271      7.98096     84.2271      
1 1 1 15 25 9  o 0 5      5.6   ?    ?   83.0448  -78.672      6.86116    -78.672      46.5903     101.328      
1 1 1 15 25 10 o 0 11.5   5.4   ?    ?   112.969  141.431      53.535     141.431      18.9857     -38.5689     
1 1 1 15 25 11 o 0 30     5.5   ?    ?   168.775  139.094      176.926    139.094      68.9178     139.094      
1 1 1 15 25 12 f 1 27.7   6.3   ?    ?   133.234  -149.467     176.712    -149.467     94.3121     -149.467     
1 1 1 15 25 13 o 0 4.9    5.3   ?    ?   145.75   152.428      1.3385     -27.5721     91.3446     -27.5721     
1 1 1 15 25 14 o 0 46.9   9     ?    ?   175.235  -125.672     252.799    -125.672     145.076     -125.672     
1 1 1 15 25 15 o 0 -2.9   7.4   ?    ?   123.703  105.533      10.7853    -74.467      85.5929     -74.467      
1 1 1 15 25 16 o 0 39.8   9.7   ?    ?   224.763  27.4337      195.443    27.4337      60.2668     27.4337      
1 1 1 15 25 17 o 0 3.5    6.1   ?    ?   107.164  -39.8411     18.8158    -39.8411     41.6458     140.159      
1 1 1 15 25 18 o 0 13.8   5.4   ?    ?   227.783  21.6237      53.2258    21.6237      74.4596     -158.376     
1 1 1 15 25 19 o 0 2.5    5.4   ?    ?   87.9991  -163.026     24.8523    -163.026     19.6391     16.974       
1 1 1 15 25 20 o 0 75.7   10.1  ?    ?   378.204  -176.198     282.368    -176.198     92.5726     -176.198     
1 1 1 15 26 0  o 0 -11.1  7.3   ?    ?   4.23182  -90          0.321418   -90          2.35692     90           
1 1 1 15 26 1  o 0 11.4   5.5   ?    ?   274.394  156.239      8.30155    -23.7608     182.39      -23.7608     
1 1 1 15 26 2  o 0 2.3    6.6   ?    ?   82.6719  -106.862     0.10431    73.1376      52.6514     73.1376      
1 1 1 15 26 3  o 0 41     7.7   ?    ?   261.522  -27.4956     184.702    -27.4956     18.2685     -27.4956     
1 1 1 15 26 4  o 0 -6.4   7.3   ?    ?   119.79   -17.1207     29.5144    162.879      105.801     162.879      
1 1 1 15 26 5  o 0 -4.7   6     ?    ?   89.7082  -39.5132     25.0802    140.487      82.2163     140.487      
1 1 1 15 26 6  o 0 82.2   10.5  ?    ?   391.894  -40.6385     267.214    -40.6385     17.7176     -40.6385     
1 1 1 15 26 7  o 0 17.5   6     ?    ?   131.686  67.7828      98.7076    67.7828      14.9504     67.7828      
1 1 1 15 26 8  o 0 36.7   7     ?    ?   305.552  123.137      145.564    123.137      43.1376     -56.8631     
1 1 1 15 26 9  o 0 0.4    5.1   ?    ?   23.1351  150.301      2.74441    -29.6988     17.0038     -29.6988     
1 1 1 15 26 10 f 1 16.2   5.8   ?    ?   166.525  155.122      85.2262    155.122      16.8941     -24.8785     
1 1 1 15 26 11 o 0 41.2   6.5   ?    ?   273.717  100.287      189.08     100.287      23.1921     100.287      
1 1 1 15 26 12 o 0 18.9   9.1   ?    ?   145.855  46.9226      105.785    46.9226      17.6948     46.9226      
1 1 1 15 26 13 o 0 15.9   5.7   ?    ?   61.4589  -152.876     85.2815    -152.876     48.3098     -152.876     
1 1 1 15 26 14 o 0 4.9    8.5   ?    ?   80.4525  73.6085      38.1868    73.6085      7.28509     -106.391     
1 1 1 15 26 15 o 0 10.4   8.7   ?    ?   150.092  -108.822     56.406     -108.822     28.0083     71.178       
1 1 1 15 26 16 f 1 0.9    5.1   ?    ?   74.1801  -66.374      15.5035    -66.374      22.0863     113.626      
1 1 1 15 26 17 o 0 -5.2   5.6   ?    ?   104.565  145.432      5.38016    -34.5683     58.1901     -34.5683     
1 1 1 15 27 0  o 0 -1.2   7.8   ?    ?   70.3409  -90          11.2157    -90          31.3041     90           
1 1 1 15 27 1  o 0 120.2  11.5  ?    ?   452.783  155.287      344.706    155.287      70.2734     155.287      
1 1 1 15 27 2  o 0 38.1   7.8   ?    ?   356.48   128.252      120.359    128.252      96.1511     -51.7475     
1 1 1 15 27 3  o 0 74.4   10.3  ?    ?   307.161  -37.9003     289.985    -37.9003     103.153     -37.9003     
1 1 1 15 27 4  o 0 7.8    6.5   ?    ?   120.613  -55.5939     28.1533    -55.5939     45.2759     124.406      
1 1 1 15 27 5  o 0 -9.1   5.4   ?    ?   69.4483  153.143      25.1042    -26.8569     67.3985     -26.8569     
1 1 1 15 27 6  o 0 57.3   8.4   ?    ?   330.352  -41.3123     222.057    -41.3123     23.1924     -41.3123     
1 1 1 15 27 7  o 0 17.2   5.8   ?    ?   315.353  -85.7643     25.2518    -85.7643     164.439     94.2357      
1 1 1 15 27 8  o 0 17     6.2   ?    ?   202.199  -177.837     79.8125    -177.837     41.6571     2.16283      
1 1 1 15 27 9  o 0 -0.7   5.1   ?    ?   35.7264  171.21       3.90302    -8.79024     25.3266     -8.79024     
1 1 1 15 27 10 o 0 13     5.2   ?    ?   77.9724  -77.2835     85.5633    -77.2835     41.54       -77.2835     
1 1 1 15 27 11 o 0 28.2   5.8   ?    ?   213.647  40.0154      160.643    40.0154      40.3593     40.0154      
1 1 1 15 27 12 o 0 -5.2   6.1   ?    ?   170.535  -21.3315     34.9945    158.668      130.685     158.668      
1 1 1 15 27 13 o 0 10.4   12.4  ?    ?   127.376  -57.1334     83.4301    -57.1334     18.7647     -57.1334     
1 1 1 15 27 14 o 0 24.9   8.4   ?    ?   161.1    -46.9164     156.651    -46.9164     75.2197     -46.9164     
1 1 1 15 28 0  o 0 24.3   12.7  ?    ?   176.767  90           106.169    90           2.48096     90           
1 1 1 15 28 1  f 1 -1.7   5.5   ?    ?   181.323  -13.6405     42.0292    166.36       148.426     166.36       
1 1 1 15 28 2  o 0 122.6  14.1  ?    ?   430.662  29.262       352.407    29.262       98.4693     29.262       
1 1 1 15 28 3  o 0 4.1    6.5   ?    ?   114.784  -135.716     23.2037    -135.716     40.779      44.284       
1 1 1 15 28 4  o 0 -9.1   6.3   ?    ?   89.8548  -173.251     16.8831    6.74923      67.0257     6.74923      
1 1 1 15 28 5  o 0 34.9   7.5   ?    ?   178.446  -73.5921     205.485    -73.5921     105.851     -73.5921     
1 1 1 15 28 6  o 0 6.6    6     ?    ?   69.943   111.348      33.7866    111.348      5.26483     -68.652      
1 1 1 15 28 7  o 0 20.2   6.1   ?    ?   216.607  -146.751     106.996    -146.751     13.8735     33.2488      
1 1 1 15 28 8  o 0 9.3    5.3   ?    ?   177.196  -95.1298     37.0504    -95.1298     61.7178     84.8702      
1 1 1 15 28 9  o 0 -3.8   5.4   ?    ?   43.2453  -38.9864     2.45613    -38.9864     19.4006     141.014      
1 1 1 15 28 10 o 0 22.1   5.9   ?    ?   259.45   158.294      115.055    158.294      15.7896     -21.7055     
1 1 1 15 28 11 o 0 27.1   5.7   ?    ?   263.073  146.693      144.302    146.693      11.9874     146.693      
1 1 1 15 29 0  o 0 -8.8   7.9   ?    ?   16.2187  90           2.57392    90           5.42381     -90          
1 1 1 15 29 1  o 0 155.6  15.2  ?    ?   640.458  4.04006      354.523    4.04006      37.7072     4.04006      
1 1 1 15 29 2  o 0 71.9   8.6   ?    ?   306.083  163.168      304.358    163.168      152.565     163.168      
1 1 1 15 29 3  o 0 43.7   8.3   ?    ?   227.299  -134.661     231.049    -134.661     118.11      -134.661     
1 1 1 15 29 4  o 0 9.2    6.6   ?    ?   66.6712  -73.1446     64.6936    -73.1446     31.5221     -73.1446     
1 1 1 15 29 5  o 0 45     9.5   ?    ?   253.172  -64.6147     221.512    -64.6147     95.4551     -64.6147     
1 1 1 16 0  0  o 0 633.3  82.1  ?    ?   938.216  -180         789.086    180          124.772     180          
1 1 1 16 0  1  o 0 248.3  23.1  ?    ?   968.448  90           497.851    90           186.21      -90          
1 1 1 16 0  2  o 0 71.5   7.3   ?    ?   222.916  -4.94398e-15 232.107    0            75.131      1.03298e-14  
1 1 1 16 0  3  o 0 62     6.7   ?    ?   315.086  90           232.9      90           11.8137     90           
1 1 1 16 0  4  o 0 557.5  51.4  ?    ?   1056.1   0            736.773    0            1.27048     180          
1 1 1 16 0  5  o 0 1274.4 134.5 ?    ?   1205.66  -90          1100.49    -90          252.714     -90          
1 1 1 16 0  6  o 0 7.8    3.8   ?    ?   28.2042  180          3.64543    180          16.0933     1.58942e-15  
1 1 1 16 0  7  o 0 46     6.7   ?    ?   496.345  90           204.402    90           141.243     -90          
1 1 1 16 0  8  o 0 103.4  11    ?    ?   597.679  -180         311.599    180          102.458     2.20937e-14  
1 1 1 16 0  9  o 0 791.4  73.2  ?    ?   786.755  -90          855.39     -90          313.269     -90          
1 1 1 16 0  10 o 0 9      5.1   ?    ?   73.4147  0            9.31217    0            37.3395     180          
1 1 1 16 0  11 o 0 9.1    5.7   ?    ?   225.598  90           26.7182    90           115.82      -90          
1 1 1 16 0  12 o 0 506.2  54.2  ?    ?   958.906  180          623.097    180          18.9602     180          
1 1 1 16 0  13 f 1 98.8   14    ?    ?   177.34   90           230.651    90           119.887     90           
1 1 1 16 0  14 o 0 320.5  35.9  ?    ?   1088.06  -4.48077e-16 490.036    0            187.014     180          
1 1 1 16 0  15 o 0 101.9  15.3  ?    ?   347.341  -90          269.706    -90          54.9844     -90          
1 1 1 16 0  16 o 0 8.9    9.3   ?    ?   183.972  0            21.7921    0            90.9198     180          
1 1 1 16 0  17 o 0 23.8   7.9   ?    ?   320.37   90           98.3307    90           96.5543     -90          
1 1 1 16 0  18 o 0 61.5   10.5  ?    ?   118.409  180          122.012    180          50.5168     180          
1 1 1 16 0  19 o 0 30     9.3   ?    ?   15.6845  90           9.04732    90           0.45765     -90          
1 1 1 16 0  20 o 0 87.3   15.2  ?    ?   354.381  180          255.531    180          29.063      180          
1 1 1 16 0  21 o 0 540.1  59.3  ?    ?   756.987  -90          638.048    -90          153.492     -90          
1 1 1 16 0  22 o 0 406.8  46.2  ?    ?   516.857  180          549.437    180          221.576     180          
1 1 1 16 0  23 o 0 99.7   18.5  ?    ?   504.658  -90          267.343    -90          43.3596     90           
1 1 1 16 0  24 o 0 8.5    11.1  ?    ?   41.643   180          7.04578    180          18.3365     -5.04572e-14 
1 1 1 16 0  25 o 0 181.3  22.7  ?    ?   552.17   -90          355.778    -90          40.5416     -90          
1 1 1 16 0  26 o 0 183.6  23.2  ?    ?   532.682  0            353.441    0            52.6869     0            
1 1 1 16 0  27 o 0 34     15.8  ?    ?   93.7004  90           66.794     90           16.3459     90           
1 1 1 16 0  28 o 0 -24    15.1  ?    ?   65.236   1.02562e-16  4.90231    0            29.312      -180         
1 1 1 16 0  29 f 1 11.9   17.3  ?    ?   23.9061  90           8.22136    90           4.69501     -90          
1 1 1 16 0  30 o 0 91.6   16.8  ?    ?   136      0            280.316    0            190.112     0            
1 1 1 16 0  31 o 0 -11.2  17.1  ?    ?   174.276  -90          33.0692    -90          83.2014     90           
1 1 1 16 0  32 o 0 8.9    15    ?    ?   114.522  -6.562e-15   43.8406    0            31.6141     180          
1 1 1 16 0  33 o 0 45.9   13.1  ?    ?   292.173  90           188.492    90           3.04148     90           
1 1 1 16 0  34 o 0 25.7   13.6  ?    ?   128.833  3.0571e-15   101.595    0            23.34       -1.02499e-14 
1 1 1 16 0  35 o 0 31.9   13.3  ?    ?   168.898  90           134.174    90           34.4219     90           
1 1 1 16 0  36 o 0 10.3   12.6  ?    ?   147.706  180          58.6547    180          22.2582     1.84904e-14  
1 1 1 16 1  0  o 0 807.8  74.1  ?    ?   868.056  2.60365e-14  892.123    0            280.829     -5.6675e-14  
1 1 1 16 1  1  o 0 62.2   4.7   ?    ?   472.014  -173.44      116.453    -173.44      215.096     6.56023      
1 1 1 16 1  2  o 0 7.1    2.2   ?    ?   123.447  -62.2613     48.2212    117.739      134.658     117.739      
1 1 1 16 1  3  o 0 435.8  30.2  ?    ?   1059.63  134.347      545.146    134.347      194.089     -45.6528     
1 1 1 16 1  4  o 0 1273.3 88    ?    ?   1407.55  -145.371     1215.89    -145.371     237.93      -145.371     
1 1 1 16 1  5  o 0 780.9  50.6  ?    ?   1044.26  -53.3627     978.575    -53.3627     248.552     -53.3627     
1 1 1 16 1  6  o 0 38.4   3.8   ?    ?   382.33   -175.367     52.7839    -175.367     213.24      4.63278      
1 1 1 16 1  7  o 0 138.7  9.7   ?    ?   412.307  -114.705     383.77     -114.705     98.2992     -114.705     
1 1 1 16 1  8  o 0 347.3  24.5  ?    ?   670.08   -124.27      644.71     -124.27      183.135     -124.27      
1 1 1 16 1  9  o 0 104.8  8.7   ?    ?   515.055  -14.968      226.694    -14.968      126.222     165.032      
1 1 1 16 1  10 o 0 327.4  23.3  ?    ?   809.083  53.4884      478.512    53.4884      32.799      -126.512     
1 1 1 16 1  11 o 0 30.9   4.8   ?    ?   212.6    1.85222      62.9238    1.85222      70.6813     -178.148     
1 1 1 16 1  12 o 0 329.8  22.1  ?    ?   725.82   39.3518      524.9      39.3518      70.0065     39.3518      
1 1 1 16 1  13 f 1 202    21.1  ?    ?   613.034  -70.9793     369.152    -70.9793     11.7944     109.021      
1 1 1 16 1  14 o 0 49.2   7.6   ?    ?   298.006  4.87443      125.594    4.87443      58.9284     -175.126     
1 1 1 16 1  15 o 0 -6.8   6.3   ?    ?   89.7082  -39.2285     46.2165    140.771      101.409     140.771      
1 1 1 16 1  16 o 0 134.5  13    ?    ?   544.63   174.829      259.956    174.829      72.1905     -5.17073     
1 1 1 16 1  17 o 0 125.6  10.6  ?    ?   448.345  -10.3172     288.253    -10.3172     16.7167     -10.3172     
1 1 1 16 1  18 o 0 39.2   6.6   ?    ?   342.701  5.02357      67.8751    5.02357      138.177     -174.976     
1 1 1 16 1  19 o 0 16.6   6.2   ?    ?   98.2729  -129.461     4.06598    -129.461     55.2493     50.5391      
1 1 1 16 1  20 o 0 32.5   7.3   ?    ?   346.878  29.7329      40.1253    29.7329      180.701     -150.267     
1 1 1 16 1  21 o 0 89.5   10.1  ?    ?   432.621  136.913      209.752    136.913      66.1689     -43.0869     
1 1 1 16 1  22 f 1 796.8  60.8  ?    ?   1243.98  -152.54      734.808    -152.54      49.5605     27.4596      
1 1 1 16 1  23 o 0 42.2   8.4   ?    ?   252.08   -27.4635     137.203    -27.4635     17.492      152.536      
1 1 1 16 1  24 o 0 123.9  12.9  ?    ?   424.983  -145.434     306.865    -145.434     48.6186     -145.434     
1 1 1 16 1  25 o 0 67.9   9.8   ?    ?   415.441  67.9124      170.543    67.9124      65.9573     -112.088     
1 1 1 16 1  26 o 0 133.5  13.6  ?    ?   553.294  51.9301      271.95     51.9301      39.6083     -128.07      
1 1 1 16 1  27 o 0 203    22    ?    ?   534.945  -114.807     425.605    -114.807     138.306     -114.807     
1 1 1 16 1  28 o 0 20.8   11.7  ?    ?   102.995  115.528      61.0666    115.528      7.17287     115.528      
1 1 1 16 1  29 o 0 20.1   15.8  ?    ?   303.078  -124.449     25.5918    -124.449     138.236     55.5513      
1 1 1 16 1  30 o 0 84.8   15    ?    ?   330.739  -167.781     310.244    -167.781     91.2996     -167.781     
1 1 1 16 1  31 o 0 54.5   9.9   ?    ?   241.16   97.9574      250.955    97.9574      90.3442     97.9574      
1 1 1 16 1  32 o 0 110.4  12.8  ?    ?   308.957  32.5091      398.721    32.5091      195.48      32.5091      
1 1 1 16 1  33 o 0 35     10.6  ?    ?   198.588  167.702      178.212    167.702      52.34       167.702      
1 1 1 16 1  34 o 0 31.3   11.1  ?    ?   176.883  120.804      158.421    120.804      51.1129     120.804      
1 1 1 16 1  36 o 0 -3.7   9     ?    ?   143.795  -9.22592     1.23447    -9.22592     77.4645     170.774      
1 1 1 16 1  37 o 0 3.9    8.8   ?    ?   127.522  95.5235      43.2535    95.5235      19.0129     -84.4765     
1 1 1 16 2  0  o 0 1335.1 122   ?    ?   1511.23  1.31327e-14  1136.21    0            78.5315     -1.76875e-13 
1 1 1 16 2  1  o 0 213    15    ?    ?   910.609  -158.776     254.318    -158.776     381.322     21.2237      
1 1 1 16 2  2  o 0 159.9  10.7  ?    ?   662.26   -128.173     295.504    -128.173     165.298     51.8273      
1 1 1 16 2  3  o 0 19.5   2.6   ?    ?   160.965  -114.999     12.4682    -114.999     99.1193     65.0006      
1 1 1 16 2  4  o 0 224.8  15    ?    ?   582.623  -120.374     484.068    -120.374     77.5356     -120.374     
1 1 1 16 2  5  o 0 1988.5 128.5 ?    ?   1897.83  128.613      1394.36    128.613      75.9409     128.613      
1 1 1 16 2  6  o 0 67.8   5.8   ?    ?   366.657  154.805      187.925    154.805      65.6094     -25.1949     
1 1 1 16 2  7  o 0 140.5  10.5  ?    ?   664.718  154.396      233.835    154.396      223.572     -25.6042     
1 1 1 16 2  8  o 0 292.2  20.8  ?    ?   600.841  154.439      590.937    154.439      179.563     154.439      
1 1 1 16 2  9  f 1 120.1  9.1   ?    ?   767.292  2.02176      105.063    2.02176      378.339     -177.978     
1 1 1 16 2  10 o 0 126.5  9.9   ?    ?   344.98   -82.8417     350.158    -82.8417     133.414     -82.8417     
1 1 1 16 2  11 o 0 76.4   7.4   ?    ?   441.33   -51.1843     162.127    -51.1843     113.639     128.816      
1 1 1 16 2  12 o 0 455    30.1  ?    ?   838.734  0.720305     629.335    0.720305     106.596     0.720305     
1 1 1 16 2  13 o 0 345.7  29.6  ?    ?   822.883  136.583      484.129    136.583      25.7657     -43.4165     
1 1 1 16 2  14 o 0 189.4  16.1  ?    ?   544.944  -175.994     378.166    -175.994     42.5132     -175.994     
1 1 1 16 2  15 o 0 51.3   7.8   ?    ?   342.101  67.4575      116.17     67.4575      93.237      -112.542     
1 1 1 16 2  16 o 0 86.4   10.9  ?    ?   446.865  108.963      185.644    108.963      85.5388     -71.0374     
1 1 1 16 2  17 o 0 676.4  47.9  ?    ?   1195.61  -165.954     647.958    -165.954     72.7128     14.0458      
1 1 1 16 2  18 o 0 95.5   9.8   ?    ?   442.894  18.4262      210.932    18.4262      54.1448     -161.574     
1 1 1 16 2  19 o 0 90.4   9.9   ?    ?   457.972  -46.1177     188.224    -46.1177     86.9817     133.882      
1 1 1 16 2  20 o 0 12.8   6.6   ?    ?   150.904  57.3036      20.0654    -122.696     115.727     -122.696     
1 1 1 16 2  21 o 0 17.5   7.1   ?    ?   140.455  100.892      12.6113    100.892      76.6072     -79.1077     
1 1 1 16 2  22 o 0 676.9  48.3  ?    ?   1051.33  -76.4474     734.219    -76.4474     72.1777     -76.4474     
1 1 1 16 2  23 o 0 190.5  17.3  ?    ?   572.406  165.906      371.049    165.906      21.0721     165.906      
1 1 1 16 2  24 o 0 17.6   8.2   ?    ?   141.509  -140.854     23.4906    -140.854     62.1978     39.146       
1 1 1 16 2  25 o 0 33.5   8.4   ?    ?   290.613  -65.23       94.8108    -65.23       70.0766     114.77       
1 1 1 16 2  26 o 0 449.7  36.7  ?    ?   801.621  131.142      632.649    131.142      182.683     131.142      
1 1 1 16 2  27 o 0 326.5  29.9  ?    ?   747.925  77.0512      509.628    77.0512      109.142     77.0512      
1 1 1 16 2  28 o 0 16     11.2  ?    ?   48.6489  -69.3466     23.7093    -69.3466     1.67556     110.653      
1 1 1 16 2  29 o 0 202.8  22.7  ?    ?   608.399  56.2205      367.243    56.2205      39.2437     56.2205      
1 1 1 16 2  30 o 0 36.3   10.7  ?    ?   284.979  120.65       138.777    120.65       49.4094     -59.3496     
1 1 1 16 2  31 o 0 60.3   9.9   ?    ?   245.278  -166.44      272.152    -166.44      109.175     -166.44      
1 1 1 16 2  32 o 0 4.8    8.4   ?    ?   32.4409  149.985      7.14909    149.985      14.1458     -30.0145     
1 1 1 16 2  33 o 0 52.3   11.2  ?    ?   279.827  -50.1716     216.941    -50.1716     39.9275     -50.1716     
1 1 1 16 2  34 o 0 66.9   10.8  ?    ?   201.354  -126.365     314.366    -126.365     192.435     -126.365     
1 1 1 16 2  35 o 0 63.8   11.1  ?    ?   316.783  -75.0828     242.296    -75.0828     55.7127     -75.0828     
1 1 1 16 2  36 o 0 77.9   13.5  ?    ?   322.403  62.6631      282.988    62.6631      106.804     62.6631      
1 1 1 16 2  37 o 0 23.4   10.3  ?    ?   131.25   -68.1542     141.387    -68.1542     77.3872     -68.1542     
1 1 1 16 3  0  o 0 32.2   4.4   ?    ?   53.7882  1.91245e-13  37.4139    0            0.0222238   -3.2177e-10  
1 1 1 16 3  1  o 0 9      2.6   ?    ?   345.006  -7.5457      129.049    172.454      368.25      172.454      
1 1 1 16 3  2  o 0 118.1  8.7   ?    ?   498.18   111.942      284.923    111.942      59.3715     -68.0576     
1 1 1 16 3  3  o 0 110.7  7.7   ?    ?   780.352  -41.1876     78.9057    -41.1876     464.145     138.812      
1 1 1 16 3  4  o 0 2266.1 146.2 ?    ?   2082.78  42.7411      1442.89    42.7411      0.698262    -137.259     
1 1 1 16 3  5  o 0 131.7  10.8  ?    ?   412.821  41.6294      363.501    41.6294      78.6081     41.6294      
1 1 1 16 3  6  o 0 35.1   3.7   ?    ?   500.49   -22.6659     29.1449    157.334      372.964     157.334      
1 1 1 16 3  7  o 0 18     3.6   ?    ?   406.069  -17.2442     82.7675    162.756      360.397     162.756      
1 1 1 16 3  8  o 0 644.4  42    ?    ?   1142.85  -37.2391     734.17     -37.2391     43.3566     142.761      
1 1 1 16 3  9  o 0 206.3  14.3  ?    ?   339.37   148.534      526.817    148.534      313.788     148.534      
1 1 1 16 3  10 o 0 123.4  9.1   ?    ?   414.462  -136.702     307.762    -136.702     48.9444     -136.702     
1 1 1 16 3  11 o 0 111.5  9     ?    ?   315.689  31.3687      319.919    31.3687      123.231     31.3687      
1 1 1 16 3  12 o 0 395.1  28    ?    ?   787.947  121.295      575.958    121.295      87.7172     121.295      
1 1 1 16 3  13 o 0 896.3  74    ?    ?   1198.26  151.88       866.378    151.88       128.08      151.88       
1 1 1 16 3  14 o 0 69.2   8.7   ?    ?   425.063  -123.126     142.62     -123.126     117.753     56.8744      
1 1 1 16 3  15 o 0 3.7    6.6   ?    ?   81.8431  169.495      30.799     -10.505      80.5214     -10.505      
1 1 1 16 3  16 o 0 163.3  16.5  ?    ?   512.248  -0.0298517   337.448    -0.0298517   28.2006     -0.0298517   
1 1 1 16 3  17 o 0 324.5  26.1  ?    ?   876.073  -172.084     409.872    -172.084     115.535     7.91574      
1 1 1 16 3  18 o 0 338.6  25.2  ?    ?   630.587  -33.186      563.87     -33.186      183.967     -33.186      
1 1 1 16 3  19 o 0 1.9    6.4   ?    ?   217.705  -50.198      87.7577    129.802      217.965     129.802      
1 1 1 16 3  20 o 0 323.4  24.2  ?    ?   800.397  -83.1479     465.466    -83.1479     39.6125     96.8521      
1 1 1 16 3  21 o 0 268.1  20    ?    ?   876.954  -6.9812      324.487    -6.9812      230.115     173.019      
1 1 1 16 3  22 o 0 282.2  21.1  ?    ?   628.133  79.7016      493.378    79.7016      99.51       79.7016      
1 1 1 16 3  23 o 0 277    21.2  ?    ?   1017.83  174.053      261.346    174.053      358.429     -5.94684     
1 1 1 16 3  24 o 0 60.4   9.8   ?    ?   477.848  103.107      96.551     103.107      191.667     -76.8928     
1 1 1 16 3  25 o 0 209.8  20.7  ?    ?   783.412  163.82       302.485    163.82       140.336     -16.1801     
1 1 1 16 3  26 o 0 102.2  13.4  ?    ?   398.931  92.1979      281.843    92.1979      66.5811     92.1979      
1 1 1 16 3  27 o 0 182.9  19    ?    ?   637.632  26.4723      334.968    26.4723      5.28373     -153.528     
1 1 1 16 3  28 o 0 -5.4   11.2  ?    ?   116.256  -117.181     17.8673    62.819       78.3302     62.819       
1 1 1 16 3  29 o 0 96.9   15.4  ?    ?   367.903  133.333      268.529    133.333      70.8066     133.333      
1 1 1 16 3  30 o 0 115.4  14.4  ?    ?   456.455  -66.3293     332.028    -66.3293     31.5056     -66.3293     
1 1 1 16 3  31 o 0 64.2   11.5  ?    ?   379.265  -48.0027     206.938    -48.0027     44.3545     131.997      
1 1 1 16 3  32 o 0 58.1   9.7   ?    ?   247.212  163.577      259.3      163.577      97.4592     163.577      
1 1 1 16 3  33 o 0 30.2   8.3   ?    ?   189.219  -43.0248     161.535    -43.0248     42.1407     -43.0248     
1 1 1 16 3  34 o 0 39.9   9.6   ?    ?   235.346  -119.308     187.714    -119.308     45.5382     -119.308     
1 1 1 16 3  35 o 0 82.9   11.6  ?    ?   395.64   132.861      262.81     132.861      30.3026     132.861      
1 1 1 16 3  36 o 0 17.4   8.8   ?    ?   219.991  -33.7154     68.8648    -33.7154     51.1024     146.285      
1 1 1 16 3  37 o 0 23.2   11.1  ?    ?   177.3    -35.7        121.844    -35.7        35.5586     -35.7        
1 1 1 16 4  0  o 0 563.6  51.9  ?    ?   884.155  180          731.669    180          114.973     -180         
1 1 1 16 4  1  o 0 110.6  7.6   ?    ?   363.839  -9.83422     333.114    -9.83422     80.0006     -9.83422     
1 1 1 16 4  2  o 0 229.1  16.2  ?    ?   843.471  46.7147      320.955    46.7147      263.981     -133.285     
1 1 1 16 4  3  o 0 53.5   5.9   ?    ?   213.801  48.7818      179.059    48.7818      31.3215     48.7818      
1 1 1 16 4  4  o 0 502.7  35.1  ?    ?   792.817  -18.3821     794.88     -18.3821     249.194     -18.3821     
1 1 1 16 4  5  f 1 739.5  48.1  ?    ?   1292.77  -44.9864     750.403    -44.9864     133.362     135.014      
1 1 1 16 4  6  o 0 29.4   3.8   ?    ?   224.1    -95.7759     58.6504    -95.7759     94.2606     84.2241      
1 1 1 16 4  7  o 0 112.1  8.1   ?    ?   724.571  1.87645      116.645    1.87645      375.464     -178.124     
1 1 1 16 4  8  o 0 1597.7 103.2 ?    ?   1576.66  -159.663     1207.37    -159.663     219.097     -159.663     
1 1 1 16 4  9  o 0 1482.1 96    ?    ?   1272.74  -141.878     1307.82    -141.878     513.978     -141.878     
1 1 1 16 4  10 o 0 470.2  30.9  ?    ?   1120.22  7.14534      480.716    7.14534      214.46      -172.855     
1 1 1 16 4  11 f 1 38.5   4.8   ?    ?   400.443  -146.175     39.1499    -146.175     208.185     33.8253      
1 1 1 16 4  12 o 0 238    17.5  ?    ?   509.24   -33.1897     488.633    -33.1897     174.971     -33.1897     
1 1 1 16 4  13 o 0 142.8  13.8  ?    ?   366.497  -110.013     368.41     -110.013     143.91      -110.013     
1 1 1 16 4  14 o 0 203.4  18.5  ?    ?   586.623  70.9643      377.59     70.9643      20.2969     70.9643      
1 1 1 16 4  15 o 0 94.2   11.9  ?    ?   542.114  -87.3394     157.112    -87.3394     170.412     92.6606      
1 1 1 16 4  16 o 0 137.3  14.6  ?    ?   591.381  14.0754      236.789    14.0754      118.299     -165.925     
1 1 1 16 4  17 o 0 543.9  41.8  ?    ?   901.364  0.575906     670.709    0.575906     132.985     0.575906     
1 1 1 16 4  18 o 0 553.5  39.5  ?    ?   1101.5   -155.925     556.271    -155.925     103.927     24.0753      
1 1 1 16 4  19 f 1 64.6   8.3   ?    ?   342.626  134.168      164.488    134.168      38.8844     -45.8319     
1 1 1 16 4  20 o 0 15.9   7.1   ?    ?   254.105  -66.495      27.7543    113.505      187.325     113.505      
1 1 1 16 4  21 o 0 104.8  11.1  ?    ?   372.593  44.7233      281.004    44.7233      46.4802     44.7233      
1 1 1 16 4  22 o 0 358.2  25.7  ?    ?   770.438  130.743      520.835    130.743      39.9456     130.743      
1 1 1 16 4  23 o 0 44     9.8   ?    ?   282.779  9.64669      131.038    9.64669      40.3879     -170.353     
1 1 1 16 4  24 o 0 30.6   8.3   ?    ?   206.769  123.53       92.1684    123.53       32.0102     -56.4701     
1 1 1 16 4  25 o 0 189.6  16.4  ?    ?   328.1    163.323      500.179    163.323      315.493     163.323      
1 1 1 16 4  26 o 0 640.1  50.6  ?    ?   988.999  -73.4773     749.783    -73.4773     218.266     -73.4773     
1 1 1 16 4  27 o 0 8.4    10    ?    ?   144.13   -148.695     0.340341   -148.695     76.2721     31.3046      
1 1 1 16 4  28 o 0 19     15.3  ?    ?   175.365  63.4858      59.6125    63.4858      31.2507     -116.514     
1 1 1 16 4  29 o 0 68.8   13.9  ?    ?   331.597  117.428      206.035    117.428      28.4657     117.428      
1 1 1 16 4  30 o 0 79.3   12.7  ?    ?   416.393  32.2564      240.597    32.2564      38.099      -147.744     
1 1 1 16 4  31 o 0 20.7   8.7   ?    ?   294.85   -43.2788     37.6972    -43.2788     157.015     136.721      
1 1 1 16 4  32 o 0 41.3   9.2   ?    ?   280.059  -148.249     167.657    -148.249     15.1024     31.7511      
1 1 1 16 4  33 o 0 -4     8.3   ?    ?   47.4379  136.921      3.58628    -43.0792     33.4274     -43.0792     
1 1 1 16 4  34 o 0 28.2   9.7   ?    ?   109.999  71.4024      159.963    71.4024      93.7052     71.4024      
1 1 1 16 4  35 o 0 70.6   12.9  ?    ?   333.116  112.161      248.293    112.161      53.0734     112.161      
1 1 1 16 4  36 o 0 5.5    9.5   ?    ?   102.713  -9.54248     41.8095    -9.54248     14.054      170.458      
1 1 1 16 5  0  o 0 285.9  30.8  ?    ?   749.475  -7.19182e-14 517.113    0            1.67977     180          
1 1 1 16 5  1  o 0 86.8   7.3   ?    ?   264.946  -86.6166     296.977    -86.6166     114.043     -86.6166     
1 1 1 16 5  2  o 0 212.6  14.1  ?    ?   726.166  -86.6207     361.338    -86.6207     138.525     93.3793      
1 1 1 16 5  3  f 1 17     2.8   ?    ?   266.7    -107.139     30.0993    72.8612      212.578     72.8612      
1 1 1 16 5  4  f 1 1377.5 89.1  ?    ?   1371.13  -149.971     1288.32    -149.971     353.753     -149.971     
1 1 1 16 5  5  f 1 72.8   6.2   ?    ?   253.039  -141.012     247.269    -141.012     75.5016     -141.012     
1 1 1 16 5  6  o 0 19.9   3.6   ?    ?   325.177  168.338      31.2708    -11.6615     251.622     -11.6615     
1 1 1 16 5  7  o 0 46.5   4.6   ?    ?   329.86   -169.556     105.05     -169.556     101.302     10.4442      
1 1 1 16 5  8  o 0 532.2  35    ?    ?   1043.8   114.287      604.732    114.287      45.205      -65.7133     
1 1 1 16 5  9  o 0 198.1  13.9  ?    ?   582.448  -103.141     379.386    -103.141     18.4517     -103.141     
1 1 1 16 5  10 o 0 300.6  20.1  ?    ?   775.297  141.657      444.329    141.657      35.2104     -38.3427     
1 1 1 16 5  11 o 0 7.4    3.8   ?    ?   211.297  -132.444     76.2189    47.5558      206.25      47.5558      
1 1 1 16 5  12 o 0 60.3   6.6   ?    ?   466.956  152.241      91.6083    152.241      194.259     -27.759      
1 1 1 16 5  13 o 0 431    36.4  ?    ?   1033.28  40.6316      467.67     40.6316      161.497     -139.368     
1 1 1 16 5  14 o 0 141.6  13.9  ?    ?   610.154  -66.6425     236.006    -66.6425     133.451     113.358      
1 1 1 16 5  15 o 0 0.8    7.5   ?    ?   252.109  -71.4099     103.504    108.59       254.948     108.59       
1 1 1 16 5  16 o 0 208.2  19.3  ?    ?   475.947  -138.586     439.896    -138.586     155.718     -138.586     
1 1 1 16 5  17 o 0 213    16.5  ?    ?   502.119  127.593      433.068    127.593      135.159     127.593      
1 1 1 16 5  18 f 1 366.6  27    ?    ?   620.564  -15.639      602.738    -15.639      233.737     -15.639      
1 1 1 16 5  19 o 0 29.7   6.8   ?    ?   120.266  19.3227      63.6032    19.3227      12.0924     -160.677     
1 1 1 16 5  20 o 0 51.8   8     ?    ?   424.284  89.5355      87.4958    89.5355      180.316     -90.4645     
1 1 1 16 5  21 o 0 33.8   9.1   ?    ?   99.8469  -89.5538     80.8766    -89.5538     18.3437     -89.5538     
1 1 1 16 5  22 o 0 64.6   9     ?    ?   295.042  16.8922      204.393    16.8922      24.8219     16.8922      
1 1 1 16 5  23 o 0 105.9  11.7  ?    ?   526.086  7.49511      205.318    7.49511      112.086     -172.505     
1 1 1 16 5  24 f 1 96.1   10.8  ?    ?   650.196  -22.2494     131.486    -22.2494     235.482     157.751      
1 1 1 16 5  25 o 0 204.7  17.4  ?    ?   536.33   21.2335      422.959    21.2335      122.426     21.2335      
1 1 1 16 5  26 o 0 65.4   12.9  ?    ?   324.415  132.092      206.306    132.092      32.7233     132.092      
1 1 1 16 5  27 o 0 89.8   15.5  ?    ?   393.144  -109.506     248.625    -109.506     43.4307     -109.506     
1 1 1 16 5  28 o 0 21     11.5  ?    ?   95.0481  25.5111      57.6285    25.5111      8.58541     25.5111      
1 1 1 16 5  29 o 0 -2.3   8.8   ?    ?   169.129  -37.5175     41.7974    142.482      153.74      142.482      
1 1 1 16 5  30 o 0 98.9   14.3  ?    ?   312.448  87.4772      364.997    87.4772      156.693     87.4772      
1 1 1 16 5  31 o 0 35.2   10.1  ?    ?   242.706  -164.453     156.955    -164.453     3.06486     15.5467      
1 1 1 16 5  32 o 0 1.7    8.2   ?    ?   29.1933  146.225      4.02588    146.225      14.5424     -33.7745     
1 1 1 16 5  33 o 0 -1.4   8.8   ?    ?   109.373  93.9739      0.604994   93.9739      66.0602     -86.0261     
1 1 1 16 5  34 o 0 26.3   9.4   ?    ?   216.985  -11.8165     121.628    -11.8165     7.14965     168.184      
1 1 1 16 5  35 o 0 40.7   10.1  ?    ?   156.479  -77.304      230.959    -77.304      144.703     -77.304      
1 1 1 16 5  36 o 0 77.2   14.5  ?    ?   330.026  157.333      286.48     157.333      123.977     157.333      
1 1 1 16 6  0  o 0 729.8  67.2  ?    ?   988.037  180          819.062    180          140.531     -180         
1 1 1 16 6  1  o 0 221.1  14.7  ?    ?   717.595  -178.726     382.65     -178.726     108.974     1.27389      
1 1 1 16 6  2  o 0 15.7   3     ?    ?   301.485  -131.17      52.6674    48.8301      258.617     48.8301      
1 1 1 16 6  3  o 0 193.5  13    ?    ?   637.24   -105.125     373.105    -105.125     60.7631     74.8751      
1 1 1 16 6  4  o 0 369.7  26    ?    ?   695.057  153.263      654.62     153.263      183.115     153.263      
1 1 1 16 6  5  o 0 406.4  30.7  ?    ?   936.819  172.405      511.763    172.405      75.2557     -7.59513     
1 1 1 16 6  6  o 0 118.2  9.1   ?    ?   598.69   57.7138      195.324    57.7138      178.261     -122.286     
1 1 1 16 6  7  o 0 111.1  8.7   ?    ?   502.321  -159.533     229.215    -159.533     82.8739     20.4666      
1 1 1 16 6  8  o 0 647.4  53.5  ?    ?   991.495  58.7033      757.87     58.7033      144.635     58.7033      
1 1 1 16 6  9  o 0 616.5  43.1  ?    ?   825.043  30.7474      820.67     30.7474      311.203     30.7474      
1 1 1 16 6  10 o 0 35.3   4.7   ?    ?   305.991  -84.4454     61.9174    -84.4454     126.129     95.5546      
1 1 1 16 6  11 o 0 -2.3   4.5   ?    ?   186.901  83.7063      97.6105    -96.2937     211.904     -96.2937     
1 1 1 16 6  12 f 1 90     10.4  ?    ?   546.989  -112.41      142.642    -112.41      189.296     67.5895      
1 1 1 16 6  13 o 0 169.6  15.9  ?    ?   824.827  22.1069      174.567    22.1069      324.626     -157.893     
1 1 1 16 6  14 o 0 436.1  36.8  ?    ?   961.354  64.9762      510.979    64.9762      66.4172     -115.024     
1 1 1 16 6  15 o 0 4.4    7.1   ?    ?   177.027  -9.09086     62.9899    170.909      168.709     170.909      
1 1 1 16 6  16 o 0 409.5  31.9  ?    ?   1091.64  85.2949      397.78     85.2949      250.268     -94.7051     
1 1 1 16 6  17 o 0 325.8  22.7  ?    ?   608.023  -133.032     553.159    -133.032     190.319     -133.032     
1 1 1 16 6  18 o 0 507.8  36.9  ?    ?   969.324  -112.233     574.712    -112.233     0.0536842   -112.233     
1 1 1 16 6  19 o 0 3.5    7.3   ?    ?   110.025  74.6941      39.445     -105.306     108.317     -105.306     
1 1 1 16 6  20 o 0 68.1   8.7   ?    ?   351.228  110.682      182.304    110.682      38.2063     -69.318      
1 1 1 16 6  21 o 0 310.4  22.6  ?    ?   639.461  131.758      527.577    131.758      129.198     131.758      
1 1 1 16 6  22 o 0 75.2   9.8   ?    ?   370.858  -89.4085     201.919    -89.4085     22.6311     90.5915      
1 1 1 16 6  23 o 0 164    14.6  ?    ?   360.356  -24.4776     424.983    -24.4776     208.671     -24.4776     
1 1 1 16 6  24 o 0 21.3   9.3   ?    ?   231.722  -68.0325     43.1961    -68.0325     87.2725     111.968      
1 1 1 16 6  25 f 1 109.4  16.1  ?    ?   568.522  -70.8492     215.214    -70.8492     89.8519     109.151      
1 1 1 16 6  26 o 0 114.9  13.8  ?    ?   317.086  -122.183     345.384    -122.183     176.533     -122.183     
1 1 1 16 6  27 f 1 49.5   10.6  ?    ?   353.789  -51.0557     143.441    -51.0557     39.878      128.944      
1 1 1 16 6  28 f 1 14.7   9.5   ?    ?   67.0032  -53.8577     31.8682    -53.8577     4.04279     126.142      
1 1 1 16 6  29 o 0 202.7  22.3  ?    ?   690.983  -61.6345     393.366    -61.6345     61.9374     118.366      
1 1 1 16 6  30 o 0 46.5   14.7  ?    ?   300.842  70.1695      164.229    70.1695      35.4636     -109.83      
1 1 1 16 6  31 o 0 -4.6   10.1  ?    ?   160.46   138.782      24.148     -41.2177     129.491     -41.2177     
1 1 1 16 6  32 o 0 -2.2   8.7   ?    ?   101.816  -52.0875     4.8945     127.912      69.3853     127.912      
1 1 1 16 6  33 o 0 19     8.7   ?    ?   170.676  -45.7732     93.2423    -45.7732     10.3679     134.227      
1 1 1 16 6  34 o 0 38.2   9.4   ?    ?   294.081  -36.9353     151.515    -36.9353     22.3307     143.065      
1 1 1 16 6  35 o 0 -2.9   8.7   ?    ?   34.6538  92.5322      8.11862    92.5322      10.9106     -87.4678     
1 1 1 16 6  36 o 0 19.5   10.2  ?    ?   245.463  -158.119     77.1046    -158.119     43.3103     21.8805      
1 1 1 16 7  0  o 0 659.5  60.8  ?    ?   1046.84  -1.20477e-14 772.53     0            59.4759     1.4444e-13   
1 1 1 16 7  1  o 0 26.4   3.4   ?    ?   328.942  -167.893     8.7732     -167.893     198.543     12.1067      
1 1 1 16 7  2  o 0 138.3  9.6   ?    ?   584.768  127.263      254.394    127.263      113.157     -52.7365     
1 1 1 16 7  3  o 0 5      3.1   ?    ?   51.3922  -43.5695     22.3506    136.43       54.5518     136.43       
1 1 1 16 7  4  o 0 414.5  31.5  ?    ?   874.429  -153.299     558.26     -153.299     12.2644     -153.299     
1 1 1 16 7  5  o 0 758.9  57    ?    ?   1071.59  149.175      830.115    149.175      163.525     149.175      
1 1 1 16 7  6  o 0 270.9  19.3  ?    ?   631.988  77.8412      482.209    77.8412      90.6416     77.8412      
1 1 1 16 7  7  o 0 138.2  11.1  ?    ?   442.285  6.80692      325.582    6.80692      52.6958     6.80692      
1 1 1 16 7  8  o 0 514.6  36    ?    ?   1032     106.469      580.35     106.469      55.5504     -73.5311     
1 1 1 16 7  9  o 0 406    31    ?    ?   846.335  79.63        550.216    79.63        31.0666     79.63        
1 1 1 16 7  10 o 0 812.2  66.8  ?    ?   1463.4   -56.2347     623.794    -56.2347     269.689     123.765      
1 1 1 16 7  11 o 0 5.4    5.6   ?    ?   137.884  33.0792      51.9232    -146.921     135.704     -146.921     
1 1 1 16 7  12 o 0 101.4  11.3  ?    ?   279.242  -95.7779     295.837    -95.7779     127.009     -95.7779     
1 1 1 16 7  13 f 1 393.3  36.9  ?    ?   268.619  -143.879     819.395    -143.879     658.59      -143.879     
1 1 1 16 7  14 o 0 22.8   8.1   ?    ?   3.86571  -117.552     0.98244    -117.552     1.32523     62.4485      
1 1 1 16 7  15 o 0 1.6    6.7   ?    ?   13.293   56.9573      5.28805    -123.043     13.1791     -123.043     
1 1 1 16 7  16 o 0 130    13.3  ?    ?   460.461  123.874      284.859    123.874      9.98706     123.874      
1 1 1 16 7  17 o 0 20.4   6.9   ?    ?   301.661  6.51214      12.8966    -173.488     191.866     -173.488     
1 1 1 16 7  18 o 0 290.4  20.9  ?    ?   691.4    -57.1108     476.33     -57.1108     43.031      -57.1108     
1 1 1 16 7  19 o 0 42.8   8.2   ?    ?   280.26   -175.726     118.414    -175.726     57.8277     4.27435      
1 1 1 16 7  20 o 0 19.3   6.9   ?    ?   204.349  -45.4223     14.7785    -45.4223     112.8       134.578      
1 1 1 16 7  21 o 0 133.2  12.5  ?    ?   635.208  129.335      212.523    129.335      173.105     -50.6646     
1 1 1 16 7  22 f 1 77.5   10.7  ?    ?   272.691  61.1318      252.365    61.1318      88.5743     61.1318      
1 1 1 16 7  23 o 0 92.2   11.7  ?    ?   522.41   -88.5445     186.912    -88.5445     108.336     91.4555      
1 1 1 16 7  24 o 0 35.2   7.9   ?    ?   339.833  -175.658     81.1621    -175.658     109.166     4.34172      
1 1 1 16 7  25 o 0 8.3    8.9   ?    ?   283.224  -107.287     38.2958    72.7132      189.871     72.7132      
1 1 1 16 7  26 o 0 87.9   12.1  ?    ?   460.507  -164.063     209.402    -164.063     34.5658     15.9369      
1 1 1 16 7  27 o 0 39.6   10    ?    ?   261.91   87.9347      140.724    87.9347      5.34886     87.9347      
1 1 1 16 7  28 o 0 14.1   9     ?    ?   232.996  -170.596     16.8543    -170.596     107.724     9.40354      
1 1 1 16 7  29 o 0 16.2   9.7   ?    ?   128.399  24.7951      73.544     24.7951      12.3426     -155.205     
1 1 1 16 7  30 o 0 45.3   13.3  ?    ?   97.519   -121.115     234.417    -121.115     169.996     -121.115     
1 1 1 16 7  31 o 0 16.8   10.5  ?    ?   201.464  44.6394      58.3414    44.6394      73.3003     -135.361     
1 1 1 16 7  32 o 0 27     8.4   ?    ?   169.585  -34.077      145.561    -34.077      38.639      -34.077      
1 1 1 16 7  33 o 0 -0.6   8.3   ?    ?   33.6484  141.065      3.07304    141.065      17.2612     -38.9352     
1 1 1 16 7  34 o 0 12.9   8.7   ?    ?   155.917  -127.093     61.9184    -127.093     29.8444     52.9073      
1 1 1 16 7  35 o 0 27.7   10.6  ?    ?   261.917  -173.99      103.702    -173.99      39.5003     6.0097       
1 1 1 16 7  36 o 0 30.1   11    ?    ?   199.67   24.3346      151.926    24.3346      54.3895     24.3346      
1 1 1 16 8  0  o 0 307.7  29.1  ?    ?   741.542  1.30762e-14  486.075    0            21.5999     -2.81184e-13 
1 1 1 16 8  1  o 0 282.2  18.7  ?    ?   808.819  11.2371      402.109    11.2371      103.481     -168.763     
1 1 1 16 8  2  o 0 76.4   6.4   ?    ?   519.636  -111.667     120.662    -111.667     203.347     68.3333      
1 1 1 16 8  3  o 0 33     4.1   ?    ?   163.372  -11.4491     72.3565    -11.4491     29.2136     168.551      
1 1 1 16 8  4  o 0 871    65.4  ?    ?   1235.58  -99.0337     833.741    -99.0337     68.0761     -99.0337     
1 1 1 16 8  5  o 0 584.7  40.9  ?    ?   1028.28  125.846      668.626    125.846      33.6907     125.846      
1 1 1 16 8  6  o 0 30.1   4.7   ?    ?   148.325  94.8161      57.6541    94.8161      33.8642     -85.1839     
1 1 1 16 8  7  o 0 115.6  10.5  ?    ?   525.249  52.431       224.41     52.431       98.3741     -127.569     
1 1 1 16 8  8  o 0 33.9   4.7   ?    ?   243.571  50.5121      71.559     50.5121      77.4963     -129.488     
1 1 1 16 8  9  o 0 358.2  27.7  ?    ?   784.965  128.663      516.501    128.663      38.23       128.663      
1 1 1 16 8  10 o 0 115.8  11.1  ?    ?   475.428  -179.371     247.912    -179.371     40.4506     0.628798     
1 1 1 16 8  11 o 0 25.8   5.3   ?    ?   186.211  173.978      37.725     173.978      74.6877     -6.02152     
1 1 1 16 8  12 o 0 91.9   12.1  ?    ?   354.698  38.3754      242.043    38.3754      29.4199     38.3754      
1 1 1 16 8  13 f 1 857.7  91.5  ?    ?   1076.79  -136.906     864.001    -136.906     223.442     -136.906     
1 1 1 16 8  14 f 1 37     11.3  ?    ?   50.5555  67.0627      39.7586    67.0627      9.84305     67.0627      
1 1 1 16 8  15 o 0 18.2   8.5   ?    ?   263.001  78.6418      20.0073    -101.358     175.174     -101.358     
1 1 1 16 8  16 f 1 99.6   10.9  ?    ?   463.187  22.5316      208.321    22.5316      65.7974     -157.468     
1 1 1 16 8  17 o 0 153.6  12.7  ?    ?   542.178  50.4017      308.652    50.4017      31.2936     -129.598     
1 1 1 16 8  18 o 0 111.8  10.4  ?    ?   425.426  103.048      272.087    103.048      4.31795     103.048      
1 1 1 16 8  19 o 0 104.3  10.5  ?    ?   366.279  -76.6166     281.114    -76.6166     52.1331     -76.6166     
1 1 1 16 8  20 o 0 67.4   10.2  ?    ?   500.808  9.28077      98.8378    9.28077      212.006     -170.719     
1 1 1 16 8  21 o 0 534.3  36.6  ?    ?   1087.69  29.1109      558.62     29.1109      97.8983     -150.889     
1 1 1 16 8  22 o 0 353.2  25.5  ?    ?   643.703  -138.621     585.648    -138.621     200.227     -138.621     
1 1 1 16 8  23 o 0 197.3  21    ?    ?   589.381  176.512      381.105    176.512      49.8898     176.512      
1 1 1 16 8  24 o 0 166.6  16.1  ?    ?   458.328  112.443      386.853    112.443      131.596     112.443      
1 1 1 16 8  25 o 0 321.6  26.2  ?    ?   899.544  97.6749      425.118    97.6749      53.6333     -82.3251     
1 1 1 16 8  26 o 0 79.5   11.8  ?    ?   275.955  68.3084      272.113    68.3084      128.733     68.3084      
1 1 1 16 8  27 o 0 81.9   10.9  ?    ?   249.559  -124.911     285.703    -124.911     157.409     -124.911     
1 1 1 16 8  28 o 0 53.9   9.3   ?    ?   282.785  -146.52      226.956    -146.52      40.3173     -146.52      
1 1 1 16 8  29 o 0 181.6  20.5  ?    ?   489.139  115.006      466.383    115.006      140.92      115.006      
1 1 1 16 8  30 o 0 1.2    10.7  ?    ?   93.9561  -66.2984     11.1044    -66.2984     50.7761     113.702      
1 1 1 16 8  31 o 0 92.6   13.6  ?    ?   348.336  -51.2388     319.729    -51.2388     98.2057     -51.2388     
1 1 1 16 8  32 o 0 26.6   8.2   ?    ?   245.391  96.2825      113.027    96.2825      36.6591     -83.7175     
1 1 1 16 8  33 o 0 -23.6  8.8   ?    ?   42.987   -166.007     11.3522    13.9935      36.9081     13.9935      
1 1 1 16 8  34 o 0 -3.9   8.4   ?    ?   44.4373  -157.941     7.38605    -157.941     17.1746     22.0587      
1 1 1 16 8  35 o 0 15.8   9.9   ?    ?   157.736  136.19       95.616     136.19       17.6657     136.19       
1 1 1 16 9  0  o 0 782.5  72.1  ?    ?   862.165  -2.41313e-14 766.345    0            229.332     5.65069e-14  
1 1 1 16 9  1  o 0 752.7  52.4  ?    ?   1346.07  -2.60112     653.32     -2.60112     183.597     177.399      
1 1 1 16 9  2  f 1 186.7  14.7  ?    ?   496.386  -119.694     402.933    -119.694     95.7982     -119.694     
1 1 1 16 9  3  o 0 447.9  31.4  ?    ?   1017.49  12.4338      508.77     12.4338      120.715     -167.566     
1 1 1 16 9  4  o 0 440.7  31.1  ?    ?   809.637  -151.282     621.129    -151.282     121.759     -151.282     
1 1 1 16 9  5  o 0 100.1  8.7   ?    ?   373.798  -170.757     260.414    -170.757     30.6331     -170.757     
1 1 1 16 9  6  o 0 240    18.7  ?    ?   608.536  39.3113      434.817    39.3113      62.0878     39.3113      
1 1 1 16 9  7  o 0 271.7  21    ?    ?   593.295  -170.748     494.941    -170.748     132.94      -170.748     
1 1 1 16 9  8  o 0 519.5  43.1  ?    ?   851.132  -39.4701     681.66     -39.4701     164.432     -39.4701     
1 1 1 16 9  9  o 0 402    37.9  ?    ?   851.533  -20.2391     531.774    -20.2391     16.4859     -20.2391     
1 1 1 16 9  10 o 0 467.5  38.9  ?    ?   1054.18  136.015      495.156    136.015      139.953     -43.9852     
1 1 1 16 9  11 o 0 43.9   8     ?    ?   356.536  -160.586     81.5053    -160.586     131.85      19.4143      
1 1 1 16 9  12 f 1 145.4  15.5  ?    ?   559.726  -153.669     270.528    -153.669     61.9618     26.3312      
1 1 1 16 9  13 o 0 106.7  12.1  ?    ?   531.678  107.057      192.629    107.057      122.436     -72.9429     
1 1 1 16 9  14 o 0 232.9  21.5  ?    ?   670.131  71.4812      374.229    71.4812      20.8126     -108.519     
1 1 1 16 9  15 o 0 142.9  14.6  ?    ?   337.104  1.10732      370.625    1.10732      170.708     1.10732      
1 1 1 16 9  16 o 0 216.5  19.1  ?    ?   607.784  113.979      373.771    113.979      15.3959     113.979      
1 1 1 16 9  17 o 0 349    25.8  ?    ?   647.694  -160.314     587.381    -160.314     183.786     -160.314     
1 1 1 16 9  18 o 0 493    38.9  ?    ?   938.969  -63.027      593.994    -63.027      6.61948     -63.027      
1 1 1 16 9  19 o 0 40.8   7.3   ?    ?   274.488  78.7773      110.732    78.7773      59.8193     -101.223     
1 1 1 16 9  20 o 0 105    10.8  ?    ?   489.758  -85.7718     223.761    -85.7718     72.3021     94.2282      
1 1 1 16 9  21 o 0 318.2  23.1  ?    ?   686.464  49.2682      512.821    49.2682      100.971     49.2682      
1 1 1 16 9  22 o 0 232.5  18.4  ?    ?   550.564  -84.847      467.974    -84.847      157.794     -84.847      
1 1 1 16 9  23 o 0 24.5   7.3   ?    ?   97.5105  -22.2537     65.6546    -22.2537     11.1821     -22.2537     
1 1 1 16 9  24 o 0 42.2   8.9   ?    ?   284.172  -51.7832     141.279    -51.7832     10.5089     128.217      
1 1 1 16 9  25 o 0 145.8  16.3  ?    ?   706.153  -0.627975    224.159    -0.627975    149.464     179.372      
1 1 1 16 9  26 o 0 130.2  15.6  ?    ?   543.835  72.8452      274.693    72.8452      6.22717     -107.155     
1 1 1 16 9  27 o 0 52     9.7   ?    ?   220.037  -149.586     201.758    -149.586     84.1011     -149.586     
1 1 1 16 9  28 o 0 5.2    7.6   ?    ?   84.0394  59.9044      7.04053    59.9044      49.2181     -120.096     
1 1 1 16 9  29 o 0 33.2   9.5   ?    ?   202.551  -144.271     166.173    -144.271     32.1636     -144.271     
1 1 1 16 9  30 o 0 -0.3   8.9   ?    ?   99.1808  -97.801      3.51311    82.199       68.4682     82.199       
1 1 1 16 9  31 o 0 23.6   9.8   ?    ?   172.573  87.8219      118.782    87.8219      9.64454     87.8219      
1 1 1 16 9  32 o 0 18.4   9     ?    ?   126.699  71.0974      99.794     71.0974      22.9334     71.0974      
1 1 1 16 9  33 f 1 18.5   8.9   ?    ?   123.997  63.8174      106.503    63.8174      33.3753     63.8174      
1 1 1 16 9  34 o 0 26.5   11    ?    ?   216.903  -179.754     117.45     -179.754     1.78966     0.246259     
1 1 1 16 9  35 o 0 59.2   12.1  ?    ?   223.07   -5.07172     277.342    -5.07172     167.689     -5.07172     
1 1 1 16 10 0  o 0 63.4   7.9   ?    ?   264.036  180          195.116    180          32.1146     -180         
1 1 1 16 10 1  o 0 130.6  10.8  ?    ?   712.777  -85.8356     156.818    -85.8356     282.535     94.1644      
1 1 1 16 10 2  f 1 51.9   5.8   ?    ?   460.274  86.1788      65.2312    86.1788      217.178     -93.8212     
1 1 1 16 10 3  o 0 11.2   3.9   ?    ?   163.157  -61.5599     36.6854    118.44       136.806     118.44       
1 1 1 16 10 4  o 0 803.8  60.5  ?    ?   1330.13  -7.41586     699.633    -7.41586     114.3       172.584      
1 1 1 16 10 5  o 0 161.9  13.1  ?    ?   435.75   -25.8236     375.969    -25.8236     110.159     -25.8236     
1 1 1 16 10 6  o 0 94.6   9.5   ?    ?   637.018  157.463      105.476    157.463      281.785     -22.5367     
1 1 1 16 10 7  o 0 85     8.7   ?    ?   356.033  -148.015     221.676    -148.015     6.02316     -148.015     
1 1 1 16 10 8  o 0 1104.9 90.7  ?    ?   1390.12  163.279      902.148    163.279      63.394      163.279      
1 1 1 16 10 9  o 0 508.3  42.5  ?    ?   937.447  -34.0159     611.284    -34.0159     49.1805     -34.0159     
1 1 1 16 10 10 o 0 89.3   9.3   ?    ?   558.528  -0.394735    133.495    -0.394735    199.973     179.605      
1 1 1 16 10 11 f 1 43.6   7.7   ?    ?   71.4082  -68.6243     71.1248    -68.6243     28.7906     -68.6243     
1 1 1 16 10 12 o 0 44.7   8     ?    ?   176.963  16.5077      122.947    16.5077      18.2569     16.5077      
1 1 1 16 10 13 o 0 475.8  40.7  ?    ?   1014.83  134.54       517.881    134.54       79.5383     -45.4599     
1 1 1 16 10 14 o 0 142.4  15.7  ?    ?   531.878  -20.4036     272.386    -20.4036     42.7039     159.596      
1 1 1 16 10 15 o 0 22.4   8.2   ?    ?   242.615  -19.0325     15.3909    -19.0325     127.56      160.968      
1 1 1 16 10 16 o 0 42.6   8     ?    ?   431.317  -111.478     44.669     -111.478     223.991     68.5224      
1 1 1 16 10 17 o 0 171.9  15.5  ?    ?   489.191  -43.1192     372.559    -43.1192     66.5512     -43.1192     
1 1 1 16 10 18 o 0 244.4  21    ?    ?   599.283  5.26182      442.555    5.26182      70.0571     5.26182      
1 1 1 16 10 19 o 0 118.5  11.6  ?    ?   380.804  141.87       315.852    141.87       85.4721     141.87       
1 1 1 16 10 20 o 0 72.3   9.1   ?    ?   307.619  -59.0562     221.27     -59.0562     36.4857     -59.0562     
1 1 1 16 10 21 o 0 17.5   6.9   ?    ?   102.374  -110.763     32.2015    -110.763     25.5723     69.2374      
1 1 1 16 10 22 o 0 44     8.9   ?    ?   323.753  151.058      125.078    151.058      56.1769     -28.9424     
1 1 1 16 10 23 o 0 29.6   8.2   ?    ?   179.301  152.174      112.546    152.174      16.5144     152.174      
1 1 1 16 10 24 o 0 30.2   8.8   ?    ?   81.1553  124.389      87.3923    124.389      44.3137     124.389      
1 1 1 16 10 25 o 0 81.3   12.3  ?    ?   494.632  -140.399     179.017    -140.399     77.462      39.6007      
1 1 1 16 10 26 o 0 228.7  22.4  ?    ?   578.221  -61.1008     427.35     -61.1008     116.803     -61.1008     
1 1 1 16 10 27 o 0 14.8   8.4   ?    ?   170.697  -46.7256     45.0987    -46.7256     67.4795     133.274      
1 1 1 16 10 28 o 0 90.2   10.7  ?    ?   280.017  64.425       360.914    64.425       174.606     64.425       
1 1 1 16 10 29 o 0 21.2   8.8   ?    ?   63.6637  -134.47      90.6858    -134.47      48.7287     -134.47      
1 1 1 16 10 30 o 0 24.9   9.3   ?    ?   281.357  161.629      75.8664    161.629      103.307     -18.3709     
1 1 1 16 10 31 o 0 42.8   10.8  ?    ?   248.25   -104.949     194.097    -104.949     42.3467     -104.949     
1 1 1 16 10 32 o 0 62.1   11.5  ?    ?   239.48   -109.772     274.014    -109.772     129.599     -109.772     
1 1 1 16 10 33 o 0 31.3   9.2   ?    ?   220.748  -122.903     150.399    -122.903     20.6446     -122.903     
1 1 1 16 10 34 o 0 21.8   10.9  ?    ?   252.517  -133.439     72.5182    -133.439     65.4902     46.5613      
1 1 1 16 11 0  o 0 716.8  76.6  ?    ?   972.814  180          718.23     180          123.153     -180         
1 1 1 16 11 1  o 0 74.5   8     ?    ?   304.168  -24.6513     211.839    -24.6513     26.0135     -24.6513     
1 1 1 16 11 2  o 0 100.7  11.3  ?    ?   454.73   -4.81718     220.346    -4.81718     56.9751     175.183      
1 1 1 16 11 3  o 0 68.2   7.4   ?    ?   384.122  -60.7297     157.907    -60.7297     75.8399     119.27       
1 1 1 16 11 4  o 0 398.8  33.4  ?    ?   626.046  -6.99752     659.071    -6.99752     279.086     -6.99752     
1 1 1 16 11 5  o 0 331.6  27.9  ?    ?   863.397  -152.237     428.57     -152.237     93.9559     27.763       
1 1 1 16 11 6  o 0 270.3  23    ?    ?   578.728  -142.063     493.911    -142.063     144.786     -142.063     
1 1 1 16 11 7  o 0 34.8   5.9   ?    ?   167.341  100.78       82.7728    100.78       17.6116     -79.2195     
1 1 1 16 11 8  o 0 232.4  20.2  ?    ?   610.266  138.357      411.951    138.357      47.2202     138.357      
1 1 1 16 11 9  o 0 119.4  11.7  ?    ?   250.147  157.092      349.503    157.092      200.588     157.092      
1 1 1 16 11 10 o 0 247.8  18.3  ?    ?   941.548  -55.0622     249.781    -55.0622     308.404     124.938      
1 1 1 16 11 11 o 0 17.1   5.5   ?    ?   216.083  21.1802      9.58706    -158.82      137.129     -158.82      
1 1 1 16 11 12 o 0 61.4   7.6   ?    ?   246.543  34.3811      187.227    34.3811      40.7055     34.3811      
1 1 1 16 11 13 o 0 643.3  60.8  ?    ?   998.191  -43.2504     693.696    -43.2504     103.334     -43.2504     
1 1 1 16 11 14 o 0 206.8  22.5  ?    ?   579.308  -61.359      393.079    -61.359      30.656      -61.359      
1 1 1 16 11 15 o 0 38.1   8.1   ?    ?   230.36   111.166      104.732    111.166      38.6109     -68.834      
1 1 1 16 11 16 o 0 246.6  19.4  ?    ?   688.823  -26.7923     397.1      -26.7923     33.4997     153.208      
1 1 1 16 11 17 o 0 86     9.6   ?    ?   239.202  26.1182      281.652    26.1182      133.015     26.1182      
1 1 1 16 11 18 o 0 106.5  11    ?    ?   292.202  162.086      327.578    162.086      150.785     162.086      
1 1 1 16 11 19 o 0 21.5   7.3   ?    ?   311.924  -131.53      5.28064    -131.53      182.183     48.4702      
1 1 1 16 11 20 f 1 19.7   7.5   ?    ?   231.255  40.7878      36.098     40.7878      94.1935     -139.212     
1 1 1 16 11 21 o 0 375.3  28.4  ?    ?   845.652  -163.345     520.492    -163.345     46.3976     -163.345     
1 1 1 16 11 22 o 0 389.6  29.6  ?    ?   915.893  91.9104      513.215    91.9104      21.7631     91.9104      
1 1 1 16 11 23 o 0 18.3   8.9   ?    ?   323.75   2.0792       2.23561    2.0792       170.022     -177.921     
1 1 1 16 11 24 o 0 39.1   9.4   ?    ?   167.279  99.11        163.57     99.11        76.5813     99.11        
1 1 1 16 11 25 o 0 198.5  19.3  ?    ?   643.68   -147.94      358.71     -147.94      27.1289     -147.94      
1 1 1 16 11 26 o 0 145    14    ?    ?   707.233  -62.2768     259.62     -62.2768     208.685     117.723      
1 1 1 16 11 27 o 0 130.1  13    ?    ?   367.534  18.5192      426.966    18.5192      181.302     18.5192      
1 1 1 16 11 28 o 0 18.2   10.2  ?    ?   113.261  -27.0938     83.7898    -27.0938     8.92084     -27.0938     
1 1 1 16 11 29 o 0 70.1   12    ?    ?   340.973  -8.71937     247.838    -8.71937     24.5753     -8.71937     
1 1 1 16 11 30 o 0 58.2   10    ?    ?   283.698  -173.668     241.582    -173.668     62.0807     -173.668     
1 1 1 16 11 31 o 0 24.7   9.8   ?    ?   197.023  132.466      116.699    132.466      2.96587     -47.5338     
1 1 1 16 11 32 o 0 1.1    11.9  ?    ?   125.238  -120.725     29.304     -120.725     44.8887     59.2752      
1 1 1 16 11 33 o 0 -12.1  8.9   ?    ?   70.7605  60.0452      2.75849    -119.955     41.7622     -119.955     
1 1 1 16 11 34 o 0 3.3    10.4  ?    ?   136.16   15.9551      46.1043    15.9551      21.0572     -164.045     
1 1 1 16 12 0  o 0 937    99.6  ?    ?   1092.15  180          810.361    180          150.015     -180         
1 1 1 16 12 1  o 0 316.8  26.8  ?    ?   810.221  107.309      439.136    107.309      50.2654     -72.6912     
1 1 1 16 12 2  o 0 99.3   9.9   ?    ?   407.118  -76.7381     240.526    -76.7381     5.02167     103.262      
1 1 1 16 12 3  o 0 6.9    4.7   ?    ?   105.237  179.641      35.5149    -0.358875    98.8651     -0.358875    
1 1 1 16 12 4  o 0 47.8   7     ?    ?   318.998  162.973      112.673    162.973      78.9113     -17.0265     
1 1 1 16 12 5  o 0 376.2  31.5  ?    ?   923.233  176.238      454.136    176.238      98.8596     -3.76239     
1 1 1 16 12 6  o 0 65.2   7.7   ?    ?   423.27   48.1583      129.623    48.1583      123.15      -131.842     
1 1 1 16 12 7  o 0 93.2   9.8   ?    ?   363.279  -3.3171      240.85     -3.3171      24.6131     -3.3171      
1 1 1 16 12 8  f 1 370.3  26.5  ?    ?   1011.91  -27.8969     394.041    -27.8969     204.617     152.103      
1 1 1 16 12 9  o 0 240.1  18    ?    ?   805.845  142.636      312.923    142.636      163.242     -37.3638     
1 1 1 16 12 10 o 0 4.7    4.6   ?    ?   142.851  147.451      54.388     -32.5493     139.426     -32.5493     
1 1 1 16 12 11 o 0 16.2   5     ?    ?   205.716  49.859       6.91312    -130.141     128.852     -130.141     
1 1 1 16 12 12 f 1 151.2  13.7  ?    ?   354.618  -158.112     379.404    -158.112     170.689     -158.112     
1 1 1 16 12 13 f 1 668.2  51.2  ?    ?   942.884  -20.2278     798.048    -20.2278     210.84      -20.2278     
1 1 1 16 12 14 o 0 138.5  13.4  ?    ?   706.227  -144.704     174.78     -144.704     268.484     35.2959      
1 1 1 16 12 15 o 0 93.1   9.6   ?    ?   423.093  -167.496     220.839    -167.496     43.3014     12.5035      
1 1 1 16 12 16 o 0 0.9    6     ?    ?   169.673  111.492      71.8602    -68.5083     177.192     -68.5083     
1 1 1 16 12 18 o 0 18.8   6.9   ?    ?   193.437  111.58       26.0527    111.58       90.1758     -68.4202     
1 1 1 16 12 19 o 0 28.3   7.7   ?    ?   309.226  -24.0877     62.1543    -24.0877     112.548     155.912      
1 1 1 16 12 20 o 0 9.6    7.9   ?    ?   37.5429  -62.6639     0.327822   -62.6639     20.7325     117.336      
1 1 1 16 12 21 o 0 70.1   9.3   ?    ?   483.268  -73.6616     140.029    -73.6616     129.036     106.338      
1 1 1 16 12 22 o 0 123.6  14.2  ?    ?   621.435  68.6725      221.864    68.6725      109.286     -111.327     
1 1 1 16 12 23 f 1 73.6   10.9  ?    ?   490.705  20.2333      160.927    20.2333      94.1077     -159.767     
1 1 1 16 12 24 f 1 3      8.7   ?    ?   136.445  -92.4962     14.5484    87.5038      84.8319     87.5038      
1 1 1 16 12 25 o 0 38.3   9.2   ?    ?   416.425  46.674       63.5516    46.674       159.319     -133.326     
1 1 1 16 12 26 o 0 126.7  13.5  ?    ?   492.269  -143.889     340.618    -143.889     10.3877     -143.889     
1 1 1 16 12 27 o 0 20.3   8.2   ?    ?   173.496  108.653      94.4101    108.653      20.7576     -71.3472     
1 1 1 16 12 28 o 0 8.7    7.8   ?    ?   68.3273  -81.9914     25.2469    -81.9914     19.7071     98.0086      
1 1 1 16 12 29 o 0 10.4   8.5   ?    ?   91.8849  17.6704      45.9785    17.6704      12.4738     -162.33      
1 1 1 16 12 30 o 0 34.9   10.1  ?    ?   194.882  -61.1601     181.166    -61.1601     62.0854     -61.1601     
1 1 1 16 12 31 o 0 16.4   10    ?    ?   239.136  177.406      48.6158    177.406      94.0008     -2.59414     
1 1 1 16 12 32 o 0 6      9.7   ?    ?   108.518  20.346       47.7423    20.346       12.5146     -159.654     
1 1 1 16 12 33 o 0 25.9   10.5  ?    ?   284.948  144.78       99.0063    144.78       42.6778     -35.2198     
1 1 1 16 13 0  o 0 47.9   8.2   ?    ?   269.401  3.17588e-14  159.027    0            2.26975     -180         
1 1 1 16 13 1  o 0 522    43.3  ?    ?   774.571  27.8305      719.252    27.8305      255.823     27.8305      
1 1 1 16 13 2  o 0 168.8  16.7  ?    ?   535.616  -137.77      333.117    -137.77      13.0406     -137.77      
1 1 1 16 13 3  f 1 22.5   5.1   ?    ?   509.986  80.1932      91.8424    -99.8068     395.316     -99.8068     
1 1 1 16 13 4  o 0 307.8  26.3  ?    ?   771.317  77.1589      441.379    77.1589      17.8362     -102.841     
1 1 1 16 13 5  o 0 58.9   7.5   ?    ?   130.201  74.4277      160.478    74.4277      83.1497     74.4277      
1 1 1 16 13 6  o 0 46.6   6.5   ?    ?   134.619  -100.935     120.01     -100.935     40.2787     -100.935     
1 1 1 16 13 7  o 0 13.8   4.6   ?    ?   115.881  -81.3169     11.607     98.6831      80.0287     98.6831      
1 1 1 16 13 8  o 0 92.1   8.3   ?    ?   366.39   -135.387     236.201    -135.387     18.1075     -135.387     
1 1 1 16 13 9  o 0 355.2  27.9  ?    ?   758.603  114.117      505.739    114.117      55.8237     114.117      
1 1 1 16 13 10 o 0 285.9  21    ?    ?   743.473  89.9352      413.213    89.9352      26.0083     -90.0648     
1 1 1 16 13 11 o 0 31.2   6     ?    ?   353.1    -144.785     30.5657    -144.785     190.297     35.215       
1 1 1 16 13 12 o 0 52.2   7.4   ?    ?   340.898  -9.25998     127.391    -9.25998     84.8942     170.74       
1 1 1 16 13 13 o 0 558.6  43.2  ?    ?   1132.63  29.5067      552.485    29.5067      156.76      -150.493     
1 1 1 16 13 14 o 0 216.7  15.8  ?    ?   698.061  159.022      338.081    159.022      96.8591     -20.9782     
1 1 1 16 13 15 o 0 142    11.6  ?    ?   468.157  -98.61       317.114    -98.61       26.964      -98.61       
1 1 1 16 13 16 o 0 191.1  14.9  ?    ?   575.201  131.57       367.147    131.57       19.7868     131.57       
1 1 1 16 13 17 o 0 140.2  13.1  ?    ?   556.875  -129.884     269.664    -129.884     64.6294     50.116       
1 1 1 16 13 18 o 0 143.9  13.3  ?    ?   525.682  -177.466     311.86     -177.466     15.03       -177.466     
1 1 1 16 13 19 o 0 -4.8   6.4   ?    ?   185.875  30.9461      73.6239    -149.054     177.878     -149.054     
1 1 1 16 13 20 o 0 47.3   9     ?    ?   179.065  175.633      180.221    175.633      80.4983     175.633      
1 1 1 16 13 21 o 0 301.6  25.1  ?    ?   760.423  -3.20404     469.81     -3.20404     64.3088     -3.20404     
1 1 1 16 13 22 o 0 37.5   9.4   ?    ?   244.285  -127.711     140.001    -127.711     12.5634     -127.711     
1 1 1 16 13 23 o 0 94.3   11.9  ?    ?   482.099  149.015      220.44     149.015      28.9427     -30.9854     
1 1 1 16 13 24 o 0 6.8    8     ?    ?   58.6045  -150.267     4.55749    -150.267     26.8751     29.7334      
1 1 1 16 13 25 o 0 5.8    8.6   ?    ?   225.872  108.591      30.3835    -71.4088     179.314     -71.4088     
1 1 1 16 13 26 o 0 228.6  18.5  ?    ?   381.556  15.3487      640.324    15.3487      386.23      15.3487      
1 1 1 16 13 27 f 1 70.7   9.8   ?    ?   226.495  -148.754     321.528    -148.754     172.333     -148.754     
1 1 1 16 13 28 o 0 -1.5   8     ?    ?   103.58   -159.419     7.79498    20.5812      73.975      20.5812      
1 1 1 16 13 29 o 0 17.5   8.5   ?    ?   140.192  -129.7       88.4724    -129.7       0.0598369   50.3         
1 1 1 16 13 30 o 0 30     9.7   ?    ?   247.365  79.7425      124.746    79.7425      25.3019     -100.257     
1 1 1 16 13 31 o 0 19.7   10.7  ?    ?   169.379  -60.9041     94.8827    -60.9041     5.39682     119.096      
1 1 1 16 13 32 o 0 1.5    10    ?    ?   42.9281  0.905479     21.2675    0.905479     2.39614     -179.095     
1 1 1 16 13 33 o 0 -9.9   9.1   ?    ?   91.4738  -83.3559     12.0559    -83.3559     33.0977     96.6441      
1 1 1 16 14 1  o 0 28.6   6.1   ?    ?   239.801  -110.458     48.2055    -110.458     93.854      69.5419      
1 1 1 16 14 2  o 0 34.3   5.9   ?    ?   108.93   -26.3416     65.7714    -26.3416     1.29963     -26.3416     
1 1 1 16 14 3  o 0 336.2  26.1  ?    ?   624.129  66.211       559.424    66.211       186.283     66.211       
1 1 1 16 14 4  o 0 956.5  72    ?    ?   1162.16  130.064      895.196    130.064      201.645     130.064      
1 1 1 16 14 5  o 0 95.6   9.4   ?    ?   392.282  -3.27027     233.435    -3.27027     0.156889    176.73       
1 1 1 16 14 6  o 0 47.5   5.8   ?    ?   351.008  -61.1622     99.9976    -61.1622     108.483     118.838      
1 1 1 16 14 7  o 0 124.8  10.4  ?    ?   617.174  -150.593     187.766    -150.593     177.748     29.4072      
1 1 1 16 14 8  o 0 307.8  22.5  ?    ?   754.482  11.4455      439.273    11.4455      6.13343     -168.555     
1 1 1 16 14 9  o 0 90.9   8.6   ?    ?   260.701  102.066      288.268    102.066      125.206     102.066      
1 1 1 16 14 10 o 0 103.8  10.1  ?    ?   509.063  129.807      204.555    129.807      112.649     -50.1927     
1 1 1 16 14 11 o 0 22.1   5.8   ?    ?   28.9219  -47.4172     12.4394    -47.4172     5.69434     132.583      
1 1 1 16 14 12 o 0 12.9   5.5   ?    ?   192.766  65.0938      22.8245    -114.906     143.161     -114.906     
1 1 1 16 14 13 o 0 474.4  34.4  ?    ?   914.999  11.1485      583.358    11.1485      14.8059     11.1485      
1 1 1 16 14 14 f 1 97.2   9.1   ?    ?   250.496  -51.2323     320.581    -51.2323     169.207     -51.2323     
1 1 1 16 14 15 o 0 12.5   5.4   ?    ?   235.063  24.2774      26.1629    -155.723     167.829     -155.723     
1 1 1 16 14 16 o 0 208.3  16.8  ?    ?   767.679  -136.737     286.389    -136.737     173.684     43.263       
1 1 1 16 14 17 o 0 178.8  14.9  ?    ?   745.348  55.5903      266.489    55.5903      153.833     -124.41      
1 1 1 16 14 18 o 0 127.7  11.3  ?    ?   451.369  83.8883      311.263    83.8883      58.3276     83.8883      
1 1 1 16 14 19 o 0 27     6.8   ?    ?   209.175  -98.9557     96.2453    -98.9557     16.0856     81.0443      
1 1 1 16 14 20 f 1 27.3   7.7   ?    ?   242.887  112.942      87.9523    112.942      41.224      -67.0579     
1 1 1 16 14 21 o 0 113.4  12.1  ?    ?   530.819  -153.868     247.734    -153.868     29.2776     26.1325      
1 1 1 16 14 22 f 1 162.5  17.4  ?    ?   506.378  -109.095     361.298    -109.095     99.821      -109.095     
1 1 1 16 14 23 o 0 39.7   9.5   ?    ?   278.226  123.356      133.189    123.356      16.2276     -56.6437     
1 1 1 16 14 24 o 0 16.8   8.1   ?    ?   29.5574  169.796      23.844     169.796      4.32075     169.796      
1 1 1 16 14 25 o 0 71.4   9.5   ?    ?   310.298  -12.1326     280.935    -12.1326     73.8236     -12.1326     
1 1 1 16 14 26 o 0 149.5  15.8  ?    ?   401.339  88.8539      447.175    88.8539      181.38      88.8539      
1 1 1 16 14 27 o 0 9.3    8     ?    ?   136.835  -166.045     36.6518    -166.045     51.0705     13.9551      
1 1 1 16 14 28 o 0 13.4   8.2   ?    ?   212.112  -110.281     36.1951    -110.281     98.2833     69.7193      
1 1 1 16 14 29 o 0 -4.5   9.6   ?    ?   122.406  35.6773      5.6174     -144.323     80.2042     -144.323     
1 1 1 16 14 30 f 1 20     9.6   ?    ?   160.48   6.63624      105.538    6.63624      10.2845     6.63624      
1 1 1 16 14 31 o 0 19.5   9.9   ?    ?   192.392  80.6883      92.7234    80.6883      13.9422     -99.3117     
1 1 1 16 14 32 o 0 5.3    13    ?    ?   64.027   125.692      62.876     125.692      31.0681     125.692      
1 1 1 16 15 0  o 0 28.8   7.7   ?    ?   14.6221  -180         8.20697    180          0.466119    5.0505e-12   
1 1 1 16 15 1  o 0 60     7.8   ?    ?   533.087  -122.571     54.7592    -122.571     261.405     57.4292      
1 1 1 16 15 2  o 0 103.3  10.7  ?    ?   446.006  51.4847      225.792    51.4847      38.5579     -128.515     
1 1 1 16 15 3  o 0 78.6   8.4   ?    ?   278.073  -35.7914     232.009    -35.7914     67.377      -35.7914     
1 1 1 16 15 4  f 1 307.7  24.3  ?    ?   655.563  104.017      495.16     104.017      108.634     104.017      
1 1 1 16 15 5  o 0 183.3  16    ?    ?   296.783  22.7948      496.935    22.7948      310.774     22.7948      
1 1 1 16 15 6  f 1 18     5.2   ?    ?   133.703  -85.6817     12.38      -85.6817     71.0764     94.3183      
1 1 1 16 15 7  o 0 23.7   5.2   ?    ?   168.93   169.98       40.482     169.98       64.9504     -10.0204     
1 1 1 16 15 8  o 0 383.1  27.7  ?    ?   860.55   -52.4934     505.282    -52.4934     35.7132     127.507      
1 1 1 16 15 9  f 1 259.2  19.5  ?    ?   421.761  -50.1503     572.996    -50.1503     309.415     -50.1503     
1 1 1 16 15 10 f 1 66.1   8.1   ?    ?   527.005  -170.056     81.9419    -170.056     246.211     9.94435      
1 1 1 16 15 11 o 0 70.1   8.5   ?    ?   210.285  120.483      238.979    120.483      108.221     120.483      
1 1 1 16 15 12 f 1 71.4   7.9   ?    ?   489.493  -153.025     129.32     -153.025     166.895     26.975       
1 1 1 16 15 13 o 0 165.9  13    ?    ?   300.815  -55.3852     460.616    -55.3852     278.945     -55.3852     
1 1 1 16 15 14 o 0 115.6  10.7  ?    ?   855.234  13.1086      41.828     13.1086      472.148     -166.891     
1 1 1 16 15 15 o 0 73.1   8.3   ?    ?   369.196  61.7187      209.348    61.7187      0.417284    61.7187      
1 1 1 16 15 16 o 0 131.7  11.3  ?    ?   540.57   23.0871      276.358    23.0871      27.8527     -156.913     
1 1 1 16 15 17 o 0 58.5   7.5   ?    ?   368.762  168.46       159.377    168.46       46.9177     -11.5401     
1 1 1 16 15 18 o 0 35.4   6.8   ?    ?   95.6342  156.976      121.803    156.976      70.5132     156.976      
1 1 1 16 15 19 o 0 13     6.7   ?    ?   131.628  83.1516      16.6492    83.1516      53.4727     -96.8484     
1 1 1 16 15 20 o 0 12.2   6.7   ?    ?   61.814   58.6748      14.7294    58.6748      17.5131     -121.325     
1 1 1 16 15 21 o 0 89.4   11.8  ?    ?   339.193  105.549      272.626    105.549      97.0345     105.549      
1 1 1 16 15 22 o 0 38.8   8.5   ?    ?   152.742  -101.412     169.091    -101.412     87.0297     -101.412     
1 1 1 16 15 23 f 1 31.9   8.8   ?    ?   250.49   -102.98      136.07     -102.98      29.1024     77.0204      
1 1 1 16 15 24 o 0 1.9    7.4   ?    ?   65.6352  117.09       3.60606    -62.9103     47.4747     -62.9103     
1 1 1 16 15 25 o 0 40.6   8     ?    ?   263.991  -161.158     178.864    -161.158     3.70271     -161.158     
1 1 1 16 15 26 o 0 19.5   7.6   ?    ?   47.7671  85.0169      67.5585    85.0169      36.1806     85.0169      
1 1 1 16 15 27 o 0 4.5    7.5   ?    ?   76.8364  155.598      12.9201    155.598      35.9374     -24.4023     
1 1 1 16 15 28 o 0 12.3   7.5   ?    ?   90.2816  36.181       59.8155    36.181       4.61066     36.181       
1 1 1 16 15 29 o 0 76.7   14.1  ?    ?   362.313  174.233      257.798    174.233      41.3089     174.233      
1 1 1 16 15 30 o 0 67.2   11.6  ?    ?   343.615  28.4322      249.896    28.4322      58.4969     28.4322      
1 1 1 16 15 31 o 0 107.6  15.9  ?    ?   485.739  -0.451956    305.793    -0.451956    63.2049     -0.451956    
1 1 1 16 16 0  o 0 951.8  87.8  ?    ?   1264.34  180          833.229    180          36.5288     -180         
1 1 1 16 16 1  o 0 185.1  15.7  ?    ?   469.344  -41.3354     413.657    -41.3354     117.856     -41.3354     
1 1 1 16 16 2  f 1 3.3    5.4   ?    ?   40.5917  -115.56      15.795     64.4397      41.3029     64.4397      
1 1 1 16 16 3  o 0 118.1  11.3  ?    ?   477.653  -42.7661     259.362    -42.7661     41.3181     137.234      
1 1 1 16 16 4  f 1 664.1  50.5  ?    ?   1089.02  -5.22806     697.037    -5.22806     14.1526     -5.22806     
1 1 1 16 16 5  o 0 408.5  29.8  ?    ?   907.025  -37.6073     510.302    -37.6073     58.9481     142.393      
1 1 1 16 16 6  o 0 94.6   8.4   ?    ?   378.149  172.684      249.549    172.684      12.7245     172.684      
1 1 1 16 16 7  o 0 193.5  14.3  ?    ?   645.273  -14.4439     326.405    -14.4439     76.7075     165.556      
1 1 1 16 16 8  o 0 253.7  18.1  ?    ?   703.685  -150.433     399.498    -150.433     38.8566     29.5671      
1 1 1 16 16 9  o 0 319.7  22.2  ?    ?   742.254  120.912      479.532    120.912      18.623      120.912      
1 1 1 16 16 10 o 0 40.5   6.6   ?    ?   299.089  -6.87513     111.088    -6.87513     70.2575     173.125      
1 1 1 16 16 11 o 0 15.4   5.9   ?    ?   174.376  31.2453      8.68393    31.2453      96.6383     -148.755     
1 1 1 16 16 12 o 0 22.3   6.2   ?    ?   376.474  -175.304     14.7434    4.69555      241.183     4.69555      
1 1 1 16 16 13 o 0 223.6  17.7  ?    ?   793.757  164.542      298.13     164.542      177.147     -15.4575     
1 1 1 16 16 14 o 0 4.5    5.5   ?    ?   114.504  3.37873      28.6537    -176.621     93.2393     -176.621     
1 1 1 16 16 15 o 0 -1.9   5.4   ?    ?   147.814  -81.6695     57.8652    98.3305      140.807     98.3305      
1 1 1 16 16 16 o 0 106.3  10    ?    ?   475.925  74.4875      257.208    74.4875      0.990888    74.4875      
1 1 1 16 16 17 o 0 5      7.3   ?    ?   282.882  -104.935     62.4864    75.0647      213.877     75.0647      
1 1 1 16 16 18 o 0 81     10.2  ?    ?   392.595  -51.0838     224.047    -51.0838     15.2634     -51.0838     
1 1 1 16 16 19 o 0 38.4   6.9   ?    ?   269.719  139.172      137.2      139.172      3.30023     -40.8283     
1 1 1 16 16 20 o 0 11.7   6.3   ?    ?   210.423  -8.2002      4.44535    -8.2002      104.387     171.8        
1 1 1 16 16 21 o 0 -3.9   7.2   ?    ?   101.15   51.1209      32.8028    -128.879     100.212     -128.879     
1 1 1 16 16 22 f 1 79.4   10.1  ?    ?   299.433  126.564      319.11     126.564      117.694     126.564      
1 1 1 16 16 23 o 0 33     7.5   ?    ?   234.668  -60.5627     155.912    -60.5627     1.00451     119.437      
1 1 1 16 16 24 o 0 1.5    7.2   ?    ?   55.6727  -15.6157     1.90231    164.384      38.8765     164.384      
1 1 1 16 16 25 o 0 57.5   11.1  ?    ?   265.632  -29.325      244.398    -29.325      69.6535     -29.325      
1 1 1 16 16 26 o 0 15.3   8.6   ?    ?   71.8448  175.566      68.7229    175.566      22.9497     175.566      
1 1 1 16 16 27 f 1 -2.4   7.4   ?    ?   138.655  122.092      19.2367    -57.9082     104.014     -57.9082     
1 1 1 16 16 28 o 0 28.2   8.1   ?    ?   177.631  79.5148      161.749    79.5148      55.2858     79.5148      
1 1 1 16 16 29 o 0 35.8   10.4  ?    ?   318.465  -115.669     133.349    -115.669     44.6853     64.3307      
1 1 1 16 16 30 o 0 4.5    10    ?    ?   235.581  -14.67       14.3721    -14.67       103.779     165.33       
1 1 1 16 17 0  o 0 737.8  96    ?    ?   1166.35  180          717.635    180          8.85485     -3.81794e-12 
1 1 1 16 17 1  o 0 121.4  13.9  ?    ?   477.465  168.096      264.111    168.096      33.4307     -11.9044     
1 1 1 16 17 2  f 1 23.1   6.6   ?    ?   273.072  -156.862     23.0186    -156.862     146.703     23.1376      
1 1 1 16 17 3  o 0 46.5   6.8   ?    ?   506.175  -133.509     21.521     -133.509     293.711     46.4914      
1 1 1 16 17 4  o 0 59.2   7.4   ?    ?   395.864  -116.346     128.283    -116.346     117.994     63.6541      
1 1 1 16 17 5  o 0 140.5  12    ?    ?   445.099  158.33       326.808    158.33       50.3103     158.33       
1 1 1 16 17 6  o 0 98.4   9.2   ?    ?   325.476  -67.0829     292.846    -67.0829     95.103      -67.0829     
1 1 1 16 17 7  o 0 9.8    5.5   ?    ?   105.513  47.7059      12.939     -132.294     76.8968     -132.294     
1 1 1 16 17 8  o 0 160.8  12.5  ?    ?   716.442  -91.1043     226.187    -91.1043     206.934     88.8957      
1 1 1 16 17 9  o 0 473.2  34.2  ?    ?   911.126  -134.381     589.658    -134.381     40.509      -134.381     
1 1 1 16 17 10 o 0 115.8  11.9  ?    ?   611.427  50.3633      181.817    50.3633      185.453     -129.637     
1 1 1 16 17 11 o 0 23     6.8   ?    ?   110.793  -23.4977     64.7312    -23.4977     1.97008     -23.4977     
1 1 1 16 17 12 o 0 92.8   10.4  ?    ?   321.791  -105.437     286.862    -105.437     105.319     -105.437     
1 1 1 16 17 13 o 0 24.6   5.7   ?    ?   164.38   -137.466     79.8432    -137.466     12.4832     42.5342      
1 1 1 16 17 14 o 0 28.1   6     ?    ?   102.864  84.5073      84.5925    84.5073      27.0933     84.5073      
1 1 1 16 17 15 o 0 17.4   7.1   ?    ?   161.842  -20.6928     42.215     -20.6928     44.6159     159.307      
1 1 1 16 17 16 o 0 21.1   7.1   ?    ?   372.134  -156.05      0.810414   -156.05      197.746     23.9504      
1 1 1 16 17 17 o 0 162    13.7  ?    ?   350.744  51.4496      439.908    51.4496      256.449     51.4496      
1 1 1 16 17 18 o 0 12     5.8   ?    ?   135.799  -18.9748     18.4377    -18.9748     52.1462     161.025      
1 1 1 16 17 19 o 0 6.3    5.8   ?    ?   221.692  174.596      32.507     -5.4039      152.248     -5.4039      
1 1 1 16 17 20 o 0 -2.1   5.6   ?    ?   19.6748  -65.4285     7.16028    114.571      20.2543     114.571      
1 1 1 16 17 21 o 0 57.5   9.7   ?    ?   269.031  52.8992      251.85     52.8992      70.5833     52.8992      
1 1 1 16 17 22 f 1 107.3  12.2  ?    ?   200.042  -8.98326     455.701    -8.98326     322.344     -8.98326     
1 1 1 16 17 23 o 0 3      6.8   ?    ?   56.8369  -129.1       0.347041   -129.1       37.4008     50.9005      
1 1 1 16 17 24 o 0 2.9    6.7   ?    ?   67.6206  158.77       3.71838    158.77       39.8201     -21.2302     
1 1 1 16 17 25 o 0 36.3   7.6   ?    ?   213.567  47.9829      186.329    47.9829      50.1266     47.9829      
1 1 1 16 17 26 f 1 4.8    7.3   ?    ?   104.779  -120.497     16.3297    -120.497     47.8325     59.5035      
1 1 1 16 17 27 o 0 19.3   9.3   ?    ?   157.153  -63.4874     103.624    -63.4874     9.24149     -63.4874     
1 1 1 16 17 28 o 0 22.1   9.5   ?    ?   74.7292  -139.453     133.347    -139.453     91.4621     -139.453     
1 1 1 16 17 29 o 0 15.9   10.5  ?    ?   165.442  -94.5075     79.4359    -94.5075     12.2109     85.4925      
1 1 1 16 17 30 o 0 15.5   10.1  ?    ?   171.12   -157.091     87.7951    -157.091     2.75594     -157.091     
1 1 1 16 18 0  o 0 95.8   14.1  ?    ?   173.659  5.56463e-14  242        0            137.285     -4.24448e-14 
1 1 1 16 18 2  o 0 153.5  15.1  ?    ?   544.373  97.5026      306.886    97.5026      21.6865     -82.4974     
1 1 1 16 18 3  o 0 312    24.6  ?    ?   718.418  165.283      487.42     165.283      53.928      165.283      
1 1 1 16 18 4  o 0 536.5  38.4  ?    ?   958.938  52.9652      635.484    52.9652      57.3174     52.9652      
1 1 1 16 18 5  o 0 146.9  11.8  ?    ?   374.912  -17.697      383.516    -17.697      157.754     -17.697      
1 1 1 16 18 6  o 0 116.5  10.4  ?    ?   538.865  -97.7324     224.946    -97.7324     99          82.2676      
1 1 1 16 18 7  o 0 6.6    6.2   ?    ?   71.5064  55.9667      15.7912    -124.033     58.6883     -124.033     
1 1 1 16 18 8  o 0 33.4   6.8   ?    ?   299.328  -37.6922     91.8562    -37.6922     77.6991     142.308      
1 1 1 16 18 9  o 0 284    23.1  ?    ?   536.414  -163.004     559.341    -163.004     256.36      -163.004     
1 1 1 16 18 10 o 0 50.3   7.3   ?    ?   285.849  119.958      167.105    119.958      6.17414     119.958      
1 1 1 16 18 11 o 0 3.4    5.9   ?    ?   151.531  -169.237     41.9346    10.7625      126.937     10.7625      
1 1 1 16 18 12 o 0 78.5   8.3   ?    ?   325.222  -144.673     251.947    -144.673     76.6373     -144.673     
1 1 1 16 18 13 o 0 176.5  15.8  ?    ?   312.696  0.581232     484.328    0.581232     316.504     0.581232     
1 1 1 16 18 14 o 0 119.7  12.2  ?    ?   440.718  78.9549      303.123    78.9549      67.7046     78.9549      
1 1 1 16 18 15 o 0 10.8   5.5   ?    ?   53.7686  16.5315      8.71077    16.5315      19.4681     -163.468     
1 1 1 16 18 16 o 0 11     5.8   ?    ?   120.948  91.1888      13.1286    91.1888      49.9102     -88.8112     
1 1 1 16 18 17 o 0 60.7   7.6   ?    ?   199.194  95.7378      240.408    95.7378      137.198     95.7378      
1 1 1 16 18 18 o 0 25.1   6.1   ?    ?   68.5905  110.287      102.195    110.287      56.3434     110.287      
1 1 1 16 18 19 o 0 9.7    5.8   ?    ?   67.6258  -52.2666     12.7866    -52.2666     32.1177     127.733      
1 1 1 16 18 20 o 0 21.1   6.5   ?    ?   138.657  -175.63      118.972    -175.63      25.7194     -175.63      
1 1 1 16 18 21 o 0 41.9   7.6   ?    ?   400.439  -167.585     105.32     -167.585     161.949     12.4155      
1 1 1 16 18 22 f 1 97.7   11.3  ?    ?   341.842  -33.3883     347.082    -33.3883     120.844     -33.3883     
1 1 1 16 18 23 o 0 10     6.6   ?    ?   192.479  42.7466      19.9075    42.7466      103.967     -137.253     
1 1 1 16 18 24 o 0 -2.4   6.7   ?    ?   19.6902  -67.7106     2.77719    112.289      15.335      112.289      
1 1 1 16 18 25 o 0 -0.3   6.5   ?    ?   130.091  -78.0884     16.2516    101.912      96.1613     101.912      
1 1 1 16 18 26 o 0 15.1   7.3   ?    ?   344.837  5.74936      11.8379    -174.251     219.156     -174.251     
1 1 1 16 18 27 o 0 -4.2   7.5   ?    ?   47.3555  165.045      3.61058    165.045      22.9738     -14.9551     
1 1 1 16 18 28 o 0 7.2    7.7   ?    ?   165.617  -94.633      46.2023    -94.633      37.3001     85.367       
1 1 1 16 18 29 o 0 18.2   10.6  ?    ?   187.74   46.8319      95.2085    46.8319      1.65898     46.8319      
1 1 1 16 19 0  o 0 212    25.5  ?    ?   510.641  -6.95426e-14 379.963    0            92.1663     2.17152e-13  
1 1 1 16 19 1  o 0 392.5  33.8  ?    ?   746.732  -12.0557     597.36     -12.0557     176.064     -12.0557     
1 1 1 16 19 2  o 0 1      6.6   ?    ?   144.684  -65.889      44.0073    114.111      125.676     114.111      
1 1 1 16 19 3  o 0 26.2   6.5   ?    ?   373.065  -28.973      23.794     -28.973      186.779     151.027      
1 1 1 16 19 4  o 0 32.1   7.2   ?    ?   321.079  46.2298      76.0177    46.2298      105.115     -133.77      
1 1 1 16 19 5  f 1 80.8   9     ?    ?   378.063  99.1426      227.665    99.1426      15.1484     99.1426      
1 1 1 16 19 6  o 0 13.8   6.2   ?    ?   176.301  67.6825      9.75567    67.6825      89.4565     -112.317     
1 1 1 16 19 7  o 0 2.4    5.4   ?    ?   27.1408  -79.6936     8.14507    100.306      23.3895     100.306      
1 1 1 16 19 8  o 0 15     5.5   ?    ?   271.245  -38.4121     6.06459    141.588      158.065     141.588      
1 1 1 16 19 9  o 0 294    22.4  ?    ?   648.947  164.574      523.283    164.574      173.386     164.574      
1 1 1 16 19 10 o 0 4.9    5.9   ?    ?   178.706  114.764      36.6038    -65.2361     132.659     -65.2361     
1 1 1 16 19 11 o 0 47     8.6   ?    ?   198.537  -166.531     186.513    -166.531     80.1718     -166.531     
1 1 1 16 19 12 o 0 37.1   7.2   ?    ?   57.6617  -76.4073     90.5433    -76.4073     59.778      -76.4073     
1 1 1 16 19 13 o 0 102.9  11.8  ?    ?   455.582  -57.9716     259.048    -57.9716     20.3668     -57.9716     
1 1 1 16 19 14 o 0 98.6   9.7   ?    ?   463.363  163.18       244.447    163.18       2.81789     163.18       
1 1 1 16 19 15 o 0 20     5.8   ?    ?   154.778  176.442      71.4312    176.442      8.8735      -3.55818     
1 1 1 16 19 16 o 0 3.3    5.6   ?    ?   202.804  104.429      44.4317    -75.5715     153.914     -75.5715     
1 1 1 16 19 17 o 0 122.8  11.1  ?    ?   364.492  15.3147      418.398    15.3147      175.633     15.3147      
1 1 1 16 19 18 o 0 161.8  13.5  ?    ?   450.803  -49.2209     461.442    -49.2209     157.068     -49.2209     
1 1 1 16 19 19 o 0 15.2   5.9   ?    ?   186.283  -93.6018     57.095     -93.6018     67.8378     86.3982      
1 1 1 16 19 20 o 0 3      6.5   ?    ?   100.71   91.4857      5.97568    -88.5143     73.1833     -88.5143     
1 1 1 16 19 21 o 0 6.8    6.7   ?    ?   37.2284  -19.4605     9.18236    -19.4605     15.4729     160.54       
1 1 1 16 19 22 o 0 297.7  23.7  ?    ?   548.341  66.7184      653.419    66.7184      301.025     66.7184      
1 1 1 16 19 23 o 0 16.1   6.4   ?    ?   173.775  78.4285      80.1558    78.4285      27.5116     -101.572     
1 1 1 16 19 24 o 0 -9.1   6.8   ?    ?   52.5917  -59.955      13.8793    120.045      46.1697     120.045      
1 1 1 16 19 25 o 0 5.3    6.8   ?    ?   87.1554  18.9622      23.7648    18.9622      28.6361     -161.038     
1 1 1 16 19 26 o 0 24.5   7.3   ?    ?   302.648  -115.757     90.0708    -115.757     79.9252     64.2432      
1 1 1 16 19 27 o 0 -4.1   7.3   ?    ?   98.9707  -169.237     12.8459    -169.237     37.1087     10.7635      
1 1 1 16 20 0  o 0 32.5   8.7   ?    ?   289.651  180          134.587    180          26.5092     -1.90384e-13 
1 1 1 16 20 1  o 0 12.6   6.9   ?    ?   90.9967  11.5565      8.12236    11.5565      42.5545     -168.443     
1 1 1 16 20 2  o 0 13.9   6.8   ?    ?   163.806  8.613        11.2496    8.613        80.0446     -171.387     
1 1 1 16 20 3  o 0 29.2   8.4   ?    ?   76.5376  -73.1384     72.5804    -73.1384     29.9142     -73.1384     
1 1 1 16 20 4  o 0 10.1   6.2   ?    ?   61.083   -177.066     3.34061    -177.066     29.5013     2.93437      
1 1 1 16 20 5  f 1 322    24.1  ?    ?   926.68   -110.544     419.351    -110.544     77.2209     69.4555      
1 1 1 16 20 6  o 0 26.6   5.8   ?    ?   186.499  97.4837      98.4589    97.4837      1.61156     -82.5163     
1 1 1 16 20 7  o 0 28.9   5.6   ?    ?   297.16   -123.185     79.3405    -123.185     79.8373     56.8147      
1 1 1 16 20 8  o 0 177.7  17.2  ?    ?   394.548  63.1358      446.672    63.1358      235.776     63.1358      
1 1 1 16 20 9  o 0 50.3   8.3   ?    ?   416.675  34.1762      115.025    34.1762      107.13      -145.824     
1 1 1 16 20 10 o 0 198.4  17.3  ?    ?   690.701  -172.401     344.355    -172.401     17.7166     7.59872      
1 1 1 16 20 11 o 0 16.2   5.8   ?    ?   108.35   -79.8782     43.0223    -79.8782     13.5844     100.122      
1 1 1 16 20 12 o 0 31.2   6.2   ?    ?   240.564  160.687      115.247    160.687      9.95974     -19.3131     
1 1 1 16 20 13 o 0 318.8  25    ?    ?   948.967  108.644      374.791    108.644      139.769     -71.3559     
1 1 1 16 20 14 o 0 31.6   6.3   ?    ?   116.916  -30.9619     170.812    -30.9619     92.4977     -30.9619     
1 1 1 16 20 15 o 0 1.1    5.7   ?    ?   98.4415  -130.726     27.7509    49.2743      93.3621     49.2743      
1 1 1 16 20 16 o 0 47.8   7     ?    ?   282.469  -164.644     206.842    -164.644     15.8245     -164.644     
1 1 1 16 20 17 o 0 152.3  12.9  ?    ?   311.665  -136.251     522.036    -136.251     312.5       -136.251     
1 1 1 16 20 18 o 0 85.9   9.2   ?    ?   333.825  27.5332      319.641    27.5332      96.1191     27.5332      
1 1 1 16 20 19 o 0 5.5    5.6   ?    ?   36.7998  161.398      3.65602    161.398      20.8196     -18.6024     
1 1 1 16 20 20 o 0 29.4   6.9   ?    ?   54.2975  151.834      146.296    151.834      111.22      151.834      
1 1 1 16 20 21 o 0 27.6   6.9   ?    ?   135.927  42.577       169.839    42.577       82.6963     42.577       
1 1 1 16 20 22 o 0 13.9   5.8   ?    ?   110.253  47.9285      77.1804    47.9285      9.00309     47.9285      
1 1 1 16 20 23 o 0 28.8   7.6   ?    ?   228.681  -80.9422     145.144    -80.9422     6.53034     -80.9422     
1 1 1 16 20 24 o 0 -1.2   6.2   ?    ?   24.8134  175.244      0.708148   -4.75608     15.6124     -4.75608     
1 1 1 16 20 25 o 0 0.2    6.4   ?    ?   86.7101  -89.8776     6.96394    -89.8776     41.7183     90.1224      
1 1 1 16 20 26 o 0 49.6   8.3   ?    ?   329.26   -81.8937     214.592    -81.8937     48.3912     -81.8937     
1 1 1 16 21 0  o 0 18     13.6  ?    ?   334.701  180          76.1128    180          101.007     -1.19619e-14 
1 1 1 16 21 1  o 0 34.5   7.6   ?    ?   61.4805  149.017      86.1471    149.017      53.5606     149.017      
1 1 1 16 21 2  o 0 0      6.8   ?    ?   175.393  26.4002      49.1395    -153.6       142.198     -153.6       
1 1 1 16 21 3  o 0 10.6   5.5   ?    ?   198.903  -15.3579     8.54258    164.642      114.126     164.642      
1 1 1 16 21 4  o 0 106.6  11.5  ?    ?   390.772  -110.336     292.533    -110.336     85.1107     -110.336     
1 1 1 16 21 5  o 0 106.3  10.4  ?    ?   477.378  -111.107     257.844    -111.107     8.10231     -111.107     
1 1 1 16 21 6  o 0 40.4   6.6   ?    ?   363.118  173.405      107.853    173.405      81.917      -6.59488     
1 1 1 16 21 7  o 0 4.8    6     ?    ?   133.39   -119.655     19.3272    60.3447      88.9343     60.3447      
1 1 1 16 21 8  o 0 169.3  14.3  ?    ?   715.477  -157.351     276.247    -157.351     96.3838     22.6492      
1 1 1 16 21 9  o 0 82.9   9.4   ?    ?   307.483  69.6722      270.867    69.6722      111.108     69.6722      
1 1 1 16 21 10 o 0 -10    5.9   ?    ?   58.6701  -15.8831     22.7609    164.117      54.5618     164.117      
1 1 1 16 21 11 o 0 8.7    5.6   ?    ?   53.3115  171.001      5.77886    171.001      23.0239     -8.99865     
1 1 1 16 21 12 o 0 49.2   6.8   ?    ?   347.54   -87.7272     176.003    -87.7272     56.1655     92.2728      
1 1 1 16 21 13 o 0 55.1   7.3   ?    ?   144.685  -78.2967     288.787    -78.2967     192.527     -78.2967     
1 1 1 16 21 14 o 0 209.7  16    ?    ?   613.513  60.1446      464.346    60.1446      49.8298     60.1446      
1 1 1 16 21 15 o 0 80.5   8.7   ?    ?   243.41   -29.7372     354.295    -29.7372     190.646     -29.7372     
1 1 1 16 21 16 o 0 5.3    5.8   ?    ?   202.277  91.3721      28.38      -88.6279     163.945     -88.6279     
1 1 1 16 21 17 o 0 104.8  10    ?    ?   348.306  -8.67996     368.189    -8.67996     136.105     -8.67996     
1 1 1 16 21 18 o 0 -8.3   5.8   ?    ?   56.0586  -106.737     20.2896    73.263       56.6035     73.263       
1 1 1 16 21 19 o 0 0.5    5.9   ?    ?   72.0667  147.318      8.45565    -32.6823     54.8281     -32.6823     
1 1 1 16 21 20 o 0 9.1    6.3   ?    ?   161.72   15.4105      28.241     15.4105      72.2274     -164.589     
1 1 1 16 21 21 o 0 5.7    5.6   ?    ?   60.0695  109.812      12.9934    109.812      24.0413     -70.1881     
1 1 1 16 21 22 f 1 73.7   8.9   ?    ?   227.998  -136.592     338.177    -136.592     200.677     -136.592     
1 1 1 16 21 23 f 1 7.3    5.6   ?    ?   88.3149  -8.29279     41.4493    -8.29279     8.38416     171.707      
1 1 1 16 21 24 o 0 19.3   6.7   ?    ?   188.728  90.2834      106.549    90.2834      0.749512    90.2834      
1 1 1 16 21 25 o 0 6.5    6.6   ?    ?   62.8146  53.7569      47.958     53.7569      16.2823     53.7569      
1 1 1 16 22 0  o 0 60.1   10.1  ?    ?   383.68   -1.28747e-14 192.894    0            4.44429     180          
1 1 1 16 22 1  o 0 12.8   6.6   ?    ?   230.361  -75.9279     6.93281    -75.9279     111.77      104.072      
1 1 1 16 22 2  o 0 39.3   9.3   ?    ?   231.4    -128.787     149.825    -128.787     30.4341     -128.787     
1 1 1 16 22 3  o 0 2.8    5.6   ?    ?   69.2467  -165.46      13.7891    14.54        49.5429     14.54        
1 1 1 16 22 4  o 0 15.8   6.4   ?    ?   213.086  -178.996     31.6969    -178.996     78.3458     1.0044       
1 1 1 16 22 5  o 0 117.5  12    ?    ?   533.121  62.6577      253.069    62.6577      22.1589     -117.342     
1 1 1 16 22 6  o 0 9.2    5.2   ?    ?   116.797  -56.0373     8.21132    -56.0373     54.8188     123.963      
1 1 1 16 22 7  o 0 -2.9   5.7   ?    ?   96.1432  43.1938      29.9397    -136.806     81.7564     -136.806     
1 1 1 16 22 8  o 0 2.4    5.6   ?    ?   192.952  33.7097      56.5061    -146.29      185.334     -146.29      
1 1 1 16 22 9  o 0 275.3  23    ?    ?   637.129  139.358      582.272    139.358      157.827     139.358      
1 1 1 16 22 10 o 0 0.4    5.3   ?    ?   56.8532  109.988      14.3649    -70.0122     52.8986     -70.0122     
1 1 1 16 22 11 o 0 0.7    5.1   ?    ?   59.1286  123.671      15.1332    -56.3286     55.0845     -56.3286     
1 1 1 16 22 12 o 0 52.3   7     ?    ?   376.284  -164.059     170.328    -164.059     83.0134     15.9415      
1 1 1 16 22 13 o 0 62     7.5   ?    ?   321.281  -31.5579     241.987    -31.5579     26.538      -31.5579     
1 1 1 16 22 14 o 0 13.3   5.7   ?    ?   162.94   56.9779      52.9012    56.9779      56.1219     -123.022     
1 1 1 16 22 15 o 0 15.3   5.8   ?    ?   113.825  61.1653      77.0354    61.1653      1.2445      61.1653      
1 1 1 16 22 16 o 0 48.5   7     ?    ?   259.787  115.243      224.908    115.243      56.5831     115.243      
1 1 1 16 22 17 o 0 1      5.7   ?    ?   106.243  -175.361     15.016     4.63905      83.46       4.63905      
1 1 1 16 22 18 o 0 204.2  19.7  ?    ?   568.378  -83.6667     469.308    -83.6667     115.455     -83.6667     
1 1 1 16 22 19 o 0 -3.2   6.3   ?    ?   51.9956  -110.559     8.58096    69.4412      40.7366     69.4412      
1 1 1 16 22 20 f 1 -1.7   6.1   ?    ?   134.103  -53.2592     20.1211    126.741      101.323     126.741      
1 1 1 16 22 21 o 0 27.5   6.6   ?    ?   136.474  -155.383     176.193    -155.383     93.9707     -155.383     
1 1 1 16 22 22 f 1 -2.7   6     ?    ?   50.4235  -170.436     1.06137    9.56426      29.4266     9.56426      
1 1 1 16 22 23 o 0 -0.9   6.7   ?    ?   47.5631  138.11       15.7888    138.11       8.36588     -41.8901     
1 1 1 16 23 0  o 0 206.2  22.4  ?    ?   470.882  180          437.701    180          127.992     -180         
1 1 1 16 23 1  f 1 34.9   7.2   ?    ?   250.234  125.909      155.402    125.909      9.10731     -54.0908     
1 1 1 16 23 2  o 0 12.5   8.4   ?    ?   146.885  98.6272      33.4417    98.6272      63.5218     -81.3728     
1 1 1 16 23 3  o 0 39.7   8     ?    ?   315.687  118.059      145.197    118.059      63.4009     -61.9411     
1 1 1 16 23 4  o 0 15.4   7.6   ?    ?   206.548  -145.63      39.3064    -145.63      97.2335     34.3704      
1 1 1 16 23 5  o 0 38.9   9     ?    ?   267.548  -46.2849     168.764    -46.2849     11.6426     133.715      
1 1 1 16 23 6  o 0 22.2   5.9   ?    ?   279.134  -24.1568     70.066     -24.1568     118.038     155.843      
1 1 1 16 23 7  o 0 13.5   5.9   ?    ?   141.445  -106.107     54.9325    -106.107     40.2798     73.8934      
1 1 1 16 23 9  o 0 30.5   6.3   ?    ?   127.836  82.3089      180.237    82.3089      94.4986     82.3089      
1 1 1 16 23 10 o 0 42.2   6.3   ?    ?   261.576  -178.504     193.021    -178.504     17.6421     -178.504     
1 1 1 16 23 11 f 1 20.5   6.3   ?    ?   62.805   99.5773      97.0774    99.5773      55.2017     99.5773      
1 1 1 16 23 12 o 0 19     5.7   ?    ?   180.974  109.652      97.1572    109.652      23.4054     -70.3479     
1 1 1 16 23 13 o 0 164    13.3  ?    ?   611.839  94.8848      363.825    94.8848      33.3682     -85.1152     
1 1 1 16 23 14 o 0 1.4    5.5   ?    ?   133.654  -120.983     22.2845    59.0175      108.675     59.0175      
1 1 1 16 23 15 f 1 23.1   6     ?    ?   126.454  167.935      145.418    167.935      64.2807     167.935      
1 1 1 16 23 16 o 0 2.6    5.6   ?    ?   66.9251  79.8022      0.407253   79.8022      41.2377     -100.198     
1 1 1 16 23 17 o 0 199.3  18.7  ?    ?   570.246  -154.78      457.648    -154.78      104.822     -154.78      
1 1 1 16 23 18 o 0 68.8   9.5   ?    ?   343.248  37.0008      258.397    37.0008      49.7143     37.0008      
1 1 1 16 23 19 o 0 21.3   7.1   ?    ?   126.284  31.1696      132.989    31.1696      56.7199     31.1696      
1 1 1 16 23 20 o 0 7.9    5.8   ?    ?   85.3075  -29.803      44.8705    -29.803      3.40712     150.197      
1 1 1 16 23 21 f 1 11.8   6.2   ?    ?   140.184  101.206      84.4478    101.206      13.1238     101.206      
1 1 1 16 24 0  o 0 145.3  25    ?    ?   683.025  -2.82959e-14 354.36     0            96.7262     180          
1 1 1 16 24 1  o 0 28.6   7     ?    ?   244.17   113.802      125.346    113.802      36.2929     -66.1976     
1 1 1 16 24 2  o 0 3      6.9   ?    ?   91.5617  50.4454      5.90048    -129.555     66.6222     -129.555     
1 1 1 16 24 3  o 0 37.8   7.7   ?    ?   238.861  82.1641      177.422    82.1641      18.8218     82.1641      
1 1 1 16 24 4  o 0 21.2   6.5   ?    ?   166.772  139.326      111.83     139.326      1.02254     139.326      
1 1 1 16 24 5  o 0 110.7  12.7  ?    ?   442.825  -110.108     323.247    -110.108     28.3407     -110.108     
1 1 1 16 24 6  o 0 6.5    6.4   ?    ?   132.832  172.224      6.61645    172.224      81.8101     -7.77628     
1 1 1 16 24 7  o 0 9.5    6.7   ?    ?   164.729  -80.3207     20.4082    -80.3207     89.1525     99.6793      
1 1 1 16 24 8  o 0 127.4  13.6  ?    ?   292.613  -135.336     459.182    -135.336     264.84      -135.336     
1 1 1 16 24 9  o 0 20.4   5.8   ?    ?   235.639  -62.8351     81.4307    -62.8351     74.7759     117.165      
1 1 1 16 24 10 o 0 30.1   5.6   ?    ?   212.117  36.7452      160.153    36.7452      22.9212     36.7452      
1 1 1 16 24 11 o 0 0.5    5.8   ?    ?   25.2478  21.2937      2.50161    -158.706     18.7896     -158.706     
1 1 1 16 24 12 o 0 17.1   5.2   ?    ?   136.954  40.1196      102.636    40.1196      14.5756     40.1196      
1 1 1 16 24 13 o 0 25.4   5.8   ?    ?   291.234  38.3234      94.6069    38.3234      86.8008     -141.677     
1 1 1 16 24 14 o 0 48.5   7     ?    ?   269.156  -32.0306     221.911    -32.0306     54.9643     -32.0306     
1 1 1 16 24 15 o 0 17.7   6     ?    ?   83.4476  153.739      101.15     153.739      49.6341     153.739      
1 1 1 16 24 16 o 0 16.3   6.2   ?    ?   209.703  33.8314      71.7546    33.8314      55.58       -146.169     
1 1 1 16 24 17 o 0 132.9  14.3  ?    ?   283.406  -69.5237     470.632    -69.5237     299.512     -69.5237     
1 1 1 16 24 18 o 0 114.3  16.2  ?    ?   334.106  113.704      392.089    113.704      202.867     113.704      
1 1 1 16 24 19 o 0 4      12.9  ?    ?   133.593  130.185      62.635     130.185      5.63103     -49.8146     
1 1 1 16 24 20 o 0 -0.2   9.9   ?    ?   131.684  129.959      34.9413    129.959      31.8742     -50.0412     
1 1 1 16 25 1  o 0 95.9   9.9   ?    ?   438.372  -14.0283     278.868    -14.0283     7.28166     165.972      
1 1 1 16 25 2  o 0 30.5   7.5   ?    ?   128.562  -138.659     178.446    -138.659     94.3557     -138.659     
1 1 1 16 25 3  f 1 55.9   10.5  ?    ?   319.782  3.1947       214.227    3.19469      9.83919     3.19469      
1 1 1 16 25 4  o 0 72.5   11.5  ?    ?   393.945  -177.265     231.629    -177.265     21.0332     2.73473      
1 1 1 16 25 5  o 0 155.1  15.9  ?    ?   563.144  -169.361     362.074    -169.361     0.77053     -169.361     
1 1 1 16 25 6  o 0 19.7   6.2   ?    ?   169.396  59.5686      110.747    59.5686      2.08626     59.5686      
1 1 1 16 25 7  o 0 5.6    6     ?    ?   133.707  -167.218     5.58437    -167.218     80.1225     12.782       
1 1 1 16 25 8  o 0 30.4   6.8   ?    ?   111.791  -62.2423     188.521    -62.2423     116.95      -62.2423     
1 1 1 16 25 9  o 0 56.2   8.2   ?    ?   201.213  43.0243      286.749    43.0243      161.7       43.0243      
1 1 1 16 25 10 o 0 14     6     ?    ?   64.8878  -66.3107     65.0083    -66.3107     24.7711     -66.3107     
1 1 1 16 25 11 o 0 3.3    5.8   ?    ?   31.5568  37.8005      3.00129    37.8005      16.5144     -142.199     
1 1 1 16 25 12 o 0 0.7    5.5   ?    ?   41.1963  130.458      0.134913   -49.5425     25.2436     -49.5425     
1 1 1 16 25 13 o 0 66.2   7.7   ?    ?   193.127  -88.6386     331.527    -88.6386     214.249     -88.6386     
1 1 1 16 25 14 f 1 51.8   7.4   ?    ?   260.831  10.6141      239.781    10.6141      82.4476     10.6141      
1 1 1 16 25 15 o 0 10.9   5.8   ?    ?   111.661  -67.3916     69.836     -67.3916     6.40147     -67.3916     
1 1 1 16 25 16 f 1 1.8    8.8   ?    ?   51.8306  -105.472     21.2546    -105.472     7.96552     74.5279      
1 1 1 16 25 17 o 0 4.8    13.4  ?    ?   267.564  -21.5855     12.1966    -21.5855     124.394     158.415      
1 1 1 16 25 18 o 0 41.8   10.6  ?    ?   232.486  132.298      214.263    132.298      96.2972     132.298      
1 1 1 16 26 0  o 0 59.3   11.1  ?    ?   196.501  7.98366e-15  219.383    0            99.7619     -9.57299e-15 
1 1 1 16 26 1  o 0 18.4   6     ?    ?   227.669  -45.3755     74.8275    -45.3755     64.1666     134.625      
1 1 1 16 26 2  o 0 9.5    5.7   ?    ?   121.241  -173.699     39.2994    -173.699     34.8879     6.30097      
1 1 1 16 26 3  f 1 7.8    6.8   ?    ?   126.084  -6.25929     28.5306    -6.25929     48.5516     173.741      
1 1 1 16 26 4  f 1 33.7   7.3   ?    ?   151.484  -131.797     201.361    -131.797     108.647     -131.797     
1 1 1 16 26 5  o 0 0.4    7.2   ?    ?   44.2182  -95.6603     1.87271    -95.6603     25.2753     84.3397      
1 1 1 16 26 6  o 0 14.1   6.2   ?    ?   139.187  73.7058      74.0431    73.7058      11.4124     -106.294     
1 1 1 16 26 7  o 0 5.9    6.1   ?    ?   71.5738  6.78952      16.5347    6.78952      27.3862     -173.21      
1 1 1 16 26 8  o 0 45.1   7.4   ?    ?   343.913  77.0092      166.434    77.0092      42.0002     -102.991     
1 1 1 16 26 9  o 0 17.9   5.4   ?    ?   216.242  -155.862     87.3678    -155.862     43.4863     24.1379      
1 1 1 16 26 10 o 0 9.9    5.6   ?    ?   260.833  -142.032     4.53489    37.9678      162.047     37.9678      
1 1 1 16 26 11 o 0 5.7    5.5   ?    ?   143.654  148.263      11.233     148.263      75.2959     -31.7366     
1 1 1 16 26 12 o 0 2.8    6.2   ?    ?   148.712  155.611      6.46647    155.611      77.8118     -24.3887     
1 1 1 16 26 13 o 0 18.4   6.9   ?    ?   99.3717  -151.216     123.454    -151.216     67.3366     -151.216     
1 1 1 16 26 14 o 0 30.7   6.5   ?    ?   190.362  -134.568     196.583    -134.568     99.3396     -134.568     
1 1 1 16 26 15 o 0 0.4    9.8   ?    ?   78.746   -18.6299     40.9658    -18.6299     0.921239    -18.6299     
1 1 1 16 27 0  o 0 5.9    7.9   ?    ?   224.455  180          50.2031    180          82.4938     -4.05567e-14 
1 1 1 16 27 1  o 0 -0.1   5.8   ?    ?   45.6698  -13.6712     0.884474   166.329      27.9685     166.329      
1 1 1 16 27 2  o 0 0.4    5.7   ?    ?   24.5068  173.76       0.19454    173.76       14.3754     -6.24031     
1 1 1 16 27 3  o 0 8.1    7.8   ?    ?   202.462  -150.148     14.5486    -150.148     106.051     29.8523      
1 1 1 16 27 4  o 0 86.2   10.8  ?    ?   292.747  -70.3113     336.024    -70.3113     161.411     -70.3113     
1 1 1 16 27 5  o 0 9.9    7.6   ?    ?   127.508  37.8317      48.359     37.8317      27.754      -142.168     
1 1 1 16 27 6  o 0 12     6     ?    ?   218.719  159.747      42.5395    159.747      80.7004     -20.2531     
1 1 1 16 27 7  o 0 14.8   6.2   ?    ?   91.4921  -141.65      99.6066    -141.65      48.071      -141.65      
1 1 1 16 27 8  o 0 2.2    5.8   ?    ?   159.805  -169.525     3.6243     10.4754      93.5621     10.4754      
1 1 1 16 27 9  o 0 121.6  13    ?    ?   488.295  14.0399      338.718    14.0399      64.2866     14.0399      
1 1 1 16 27 10 o 0 4      5.3   ?    ?   121.176  8.26147      30.3518    8.26147      31.3845     -171.739     
1 1 1 16 27 11 o 0 8.9    5.3   ?    ?   101.092  -126.218     68.6471    -126.218     17.2671     -126.218     
1 1 1 16 27 12 o 0 6.2    5.5   ?    ?   152.043  -52.5862     36.9178    -52.5862     40.133      127.414      
1 1 1 16 28 0  o 0 68.5   11.8  ?    ?   453.025  -2.01867e-14 226.589    0            21.5135     180          
1 1 1 16 28 1  o 0 9.6    6.5   ?    ?   115.126  -133.897     55.3113    -133.896     7.94974     46.1035      
1 1 1 16 28 2  o 0 8.4    5.8   ?    ?   97.8278  -175.365     47.18      -175.365     6.72335     4.63542      
1 1 1 16 28 3  o 0 -0.5   6.8   ?    ?   32.8228  -84.0779     13.1798    -84.0779     3.28119     95.9221      
1 1 1 16 28 4  o 0 43.5   8.3   ?    ?   249.397  122.495      224.299    122.495      99.0282     122.495      
1 1 1 16 28 6  o 0 8.7    7.8   ?    ?   63.8539  -58.5404     62.8496    -58.5404     30.7313     -58.5404     
1 1 1 16 28 7  o 0 -3.5   5.9   ?    ?   83.6103  82.1762      4.98304    82.1762      37.0671     -97.8238     
1 1 1 16 28 8  o 0 14.8   5.6   ?    ?   251.373  -166.472     64.1678    -166.472     62.1701     13.5278      
1 1 1 17 0  1  o 0 25.2   4.4   ?    ?   572.52   90           149.61     90           253.608     -90          
1 1 1 17 0  2  o 0 1204.8 110.3 ?    ?   1415.5   -6.90348e-15 1074.03    0            79.2824     8.66173e-14  
1 1 1 17 0  3  o 0 69.6   7.8   ?    ?   260.843  -90          235.075    -90          52.27       -90          
1 1 1 17 0  4  o 0 6      4.1   ?    ?   60.9516  180          5.43358    180          37.1448     -1.13164e-14 
1 1 1 17 0  5  o 0 -3.1   4.2   ?    ?   259.57   90           4.73187    90           162.804     -90          
1 1 1 17 0  6  f 1 570.2  52.7  ?    ?   965.153  180          678.18     180          59.3395     -180         
1 1 1 17 0  7  o 0 1878.6 171.6 ?    ?   1674.6   90           1215.93    90           144.111     90           
1 1 1 17 0  8  o 0 11.7   6     ?    ?   105.728  -9.4216e-15  17.9416    0            49.416      180          
1 1 1 17 0  9  o 0 156.1  16    ?    ?   78.3026  90           209.38     90           159.586     90           
1 1 1 17 0  10 o 0 80.3   14.5  ?    ?   306.606  180          237.111    180          43.1307     -180         
1 1 1 17 0  11 o 0 444.5  59.3  ?    ?   747.896  -90          580.668    -90          110.023     -90          
1 1 1 17 0  12 o 0 6.6    7.7   ?    ?   71.929   4.25192e-14  6.64199    0            38.3703     -180         
1 1 1 17 0  13 o 0 24.5   9.1   ?    ?   188.071  90           68.0347    90           48.9746     -90          
1 1 1 17 0  14 o 0 20.5   9.9   ?    ?   498.778  -9.13968e-15 96.3134    0            211.46      180          
1 1 1 17 0  15 o 0 182.7  19.7  ?    ?   285.925  90           363.317    90           188.001     90           
1 1 1 17 0  16 o 0 12.4   8.5   ?    ?   47.2796  -180         7.86273    180          20.9354     4.77442e-14  
1 1 1 17 0  17 o 0 143    16.7  ?    ?   397.569  -90          318.74     -90          75.4814     -90          
1 1 1 17 0  18 o 0 -5.9   9.1   ?    ?   75.7253  -180         3.32748    180          42.6701     1.22084e-14  
1 1 1 17 0  19 o 0 -5.8   10.1  ?    ?   77.2275  90           4.12437    90           45.3709     -90          
1 1 1 17 0  20 o 0 115.4  17.3  ?    ?   220.614  -180         287.296    180          145.587     180          
1 1 1 17 0  21 o 0 15.1   14.7  ?    ?   132.86   -90          31.4922    -90          53.1311     90           
1 1 1 17 0  22 o 0 12.4   11.3  ?    ?   160.636  180          34.1607    180          65.2077     -5.63803e-15 
1 1 1 17 0  23 o 0 39.6   11.5  ?    ?   175.568  -90          128.295    -90          20.7014     -90          
1 1 1 17 0  24 o 0 34     12.3  ?    ?   259.54   0            131.318    0            17.7657     180          
1 1 1 17 0  25 o 0 35.6   12.2  ?    ?   89.1262  90           78.3163    90           29.433      90           
1 1 1 17 0  26 o 0 11.4   15.2  ?    ?   231.118  180          49.3568    180          76.0333     -1.54595e-15 
1 1 1 17 0  27 o 0 8.2    17.4  ?    ?   229.939  -90          48.8619    -90          72.76       90           
1 1 1 17 0  28 o 0 69.1   20.6  ?    ?   7.0155   -180         17.0897    180          13.254      180          
1 1 1 17 0  29 o 0 9.1    11.3  ?    ?   99.3208  -90          29.3903    -90          37.1598     90           
1 1 1 17 0  30 f 1 0.4    11.3  ?    ?   104.742  0            21.8299    0            48.6465     180          
1 1 1 17 0  31 o 0 3      11.6  ?    ?   60.2287  90           16.2831    90           23.8784     -90          
1 1 1 17 0  32 o 0 14.4   17.7  ?    ?   160.938  180          73.3312    180          30.1506     1.70658e-14  
1 1 1 17 0  33 o 0 24.5   18.2  ?    ?   217.745  -90          103.997    -90          30.115      90           
1 1 1 17 0  34 o 0 -8.1   13.1  ?    ?   148.34   180          29.2894    180          59.635      3.44621e-15  
1 1 1 17 0  35 o 0 -12.6  12.4  ?    ?   56.0758  90           10.9647    90           20.2453     -90          
1 1 1 17 0  36 o 0 -17.3  12.9  ?    ?   168.76   180          29.1087    180          54.7607     3.72982e-15  
1 1 1 17 1  0  o 0 89.5   9.1   ?    ?   487.179  90           293.075    90           48.882      -90          
1 1 1 17 1  1  f 1 17.8   2.8   ?    ?   384.931  -175.264     75.0197    4.7361       344.068     4.7361       
1 1 1 17 1  2  o 0 422.7  29.6  ?    ?   937.828  -136.157     595.64     -136.157     60.0526     43.8426      
1 1 1 17 1  3  o 0 265.2  18.8  ?    ?   1029.8   -33.7202     268.554    -33.7202     449.419     146.28       
1 1 1 17 1  4  o 0 64.1   5.2   ?    ?   491.413  15.9516      98.1351    15.9516      218.541     -164.048     
1 1 1 17 1  5  o 0 182.7  12.5  ?    ?   669.937  72.4555      309.983    72.4555      120.15      -107.545     
1 1 1 17 1  6  o 0 36.8   4.6   ?    ?   196.854  -6.1762      93.7421    -6.1762      32.1401     173.824      
1 1 1 17 1  7  o 0 469    32.9  ?    ?   797.684  -24.2155     689.137    -24.2155     181.242     -24.2155     
1 1 1 17 1  8  o 0 104.2  10    ?    ?   270.89   101.094      321.883    101.094      150.193     101.094      
1 1 1 17 1  9  o 0 248.2  18.1  ?    ?   485.488  72.4297      533.264    72.4297      226.103     72.4297      
1 1 1 17 1  10 o 0 1338.1 100.2 ?    ?   1508.76  48.2247      1056.45    48.2247      106.681     48.2247      
1 1 1 17 1  11 o 0 1334.8 100.2 ?    ?   1518.6   -82.99       1041.89    -82.99       90.9285     -82.99       
1 1 1 17 1  12 o 0 91.5   9.5   ?    ?   488.571  -91.2085     181.465    -91.2085     122.815     88.7915      
1 1 1 17 1  13 o 0 56.5   8.8   ?    ?   207.964  -126.091     171.452    -126.091     42.6677     -126.091     
1 1 1 17 1  14 f 1 361.4  28.5  ?    ?   771.773  -27.0636     535.772    -27.0636     62.9133     -27.0636     
1 1 1 17 1  15 o 0 99.5   9     ?    ?   499.367  50.0513      197.107    50.0513      107.748     -129.949     
1 1 1 17 1  16 o 0 68.6   7.8   ?    ?   87.9681  90.558       156.489    90.558       103.133     90.558       
1 1 1 17 1  17 o 0 135.8  12.1  ?    ?   405.899  129.516      332.571    129.516      85.2185     129.516      
1 1 1 17 1  18 o 0 50.2   7.8   ?    ?   346.285  18.3019      113.84     18.3019      95.6893     -161.698     
1 1 1 17 1  19 o 0 171.1  15.4  ?    ?   604.269  141.29       315.828    141.29       70.0185     -38.7097     
1 1 1 17 1  20 f 1 467.5  36.5  ?    ?   1004.92  -164.044     536.888    -164.044     104.688     15.9558      
1 1 1 17 1  21 o 0 75.5   10.2  ?    ?   386.126  30.6482      190.411    30.6482      54.7037     -149.352     
1 1 1 17 1  22 o 0 25.9   7.8   ?    ?   168.501  -115.482     74.6681    -115.482     29.236      64.5177      
1 1 1 17 1  23 o 0 14.2   8.4   ?    ?   153.65   4.767        4.28661    4.767        89.5941     -175.233     
1 1 1 17 1  24 o 0 116    12.9  ?    ?   506.811  34.5242      260.168    34.5242      30.1373     -145.476     
1 1 1 17 1  25 o 0 24.9   9.3   ?    ?   201.888  -170.002     80.5265    -170.002     29.9139     9.99848      
1 1 1 17 1  26 o 0 52.8   12.4  ?    ?   372.265  152.782      142.792    152.782      58.6828     -27.2181     
1 1 1 17 1  27 o 0 28.9   17    ?    ?   102.858  -172.883     94.1117    -172.883     39.8296     -172.883     
1 1 1 17 1  28 o 0 201.4  22.1  ?    ?   578.135  -115.905     385.507    -115.905     70.0672     -115.905     
1 1 1 17 1  29 o 0 26.2   8.4   ?    ?   113.262  -148.015     127.368    -148.015     51.6214     -148.015     
1 1 1 17 1  30 o 0 8.1    9.1   ?    ?   98.8728  103.224      25.8011    103.224      40.7819     -76.7758     
1 1 1 17 1  31 f 1 2.2    8.3   ?    ?   70.611   -38.6174     3.64433    -38.6174     43.246      141.383      
1 1 1 17 1  32 o 0 33     8.8   ?    ?   148.559  74.7979      194.295    74.7979      98.9058     74.7979      
1 1 1 17 1  33 o 0 65.9   11    ?    ?   243.29   74.9003      294.44     74.9003      144.778     74.9003      
1 1 1 17 1  34 f 1 8.9    10.2  ?    ?   95.7217  -140.01      53.8251    -140.01      3.34845     39.9902      
1 1 1 17 1  35 o 0 13.1   9.7   ?    ?   193.228  -70.5304     56.0843    -70.5304     51.3642     109.47       
1 1 1 17 1  36 o 0 1.2    10.6  ?    ?   160.893  -62.8714     33.0979    -62.8714     46.8031     117.129      
1 1 1 17 2  0  o 0 -2.9   4.4   ?    ?   58.4256  90           1.2676     90           39.5113     -90          
1 1 1 17 2  1  o 0 61     4.9   ?    ?   634.587  -159.918     5.44967    -159.918     436.704     20.0816      
1 1 1 17 2  2  o 0 2039.2 131.7 ?    ?   1599.67  -125.704     1634.45    -125.704     522.457     -125.704     
1 1 1 17 2  3  o 0 55.7   5     ?    ?   276.662  87.0306      177.239    87.0306      14.535      -92.9694     
1 1 1 17 2  4  < 0 -12.7  2.9   ?    ?   ?        ?            192.066    -172.792     ?           ?            
1 1 1 17 2  5  o 0 8.2    3.4   ?    ?   188.966  -44.2375     65.1656    135.762      185.793     135.762      
1 1 1 17 2  6  o 0 83     7.3   ?    ?   506.535  -115.611     151.176    -115.611     170.885     64.3891      
1 1 1 17 2  7  o 0 917.9  63.7  ?    ?   1226.06  -82.8747     902.783    -82.8747     126.56      -82.8747     
1 1 1 17 2  8  o 0 157.9  11.9  ?    ?   468.187  55.9456      363.879    55.9456      67.8969     55.9456      
1 1 1 17 2  9  o 0 33.6   5.2   ?    ?   134.887  -5.45653     71.0747    -5.45653     13.7966     174.543      
1 1 1 17 2  10 o 0 -7.9   5.1   ?    ?   61.2037  55.3555      34.0558    -124.644     72.3759     -124.644     
1 1 1 17 2  11 o 0 134.3  12.1  ?    ?   226.889  53.8617      403.016    53.8617      261.687     53.8617      
1 1 1 17 2  12 o 0 57.2   7.6   ?    ?   303.008  17.3717      155.063    17.3717      32.6755     -162.628     
1 1 1 17 2  13 f 1 14.1   7.3   ?    ?   214.959  -74.2297     31.9044    105.77       163.725     105.77       
1 1 1 17 2  14 o 0 14.1   7.3   ?    ?   255.41   -134.45      43.87      45.5498      199.994     45.5498      
1 1 1 17 2  15 o 0 671.1  47.4  ?    ?   1121.91  -62.9252     691.528    -62.9252     9.87079     -62.9252     
1 1 1 17 2  16 o 0 36.2   6.8   ?    ?   197.015  135.416      90.4118    135.416      28.5379     -44.5841     
1 1 1 17 2  17 o 0 49.6   7.7   ?    ?   397.434  116.445      88.4117    116.445      152.709     -63.5553     
1 1 1 17 2  18 o 0 295    22.5  ?    ?   610.669  32.5318      542.265    32.5318      151.086     32.5318      
1 1 1 17 2  19 o 0 176.8  15.1  ?    ?   596.946  -173.013     330.056    -173.013     53.4683     6.98661      
1 1 1 17 2  20 o 0 128    12.7  ?    ?   531.531  -138.601     256.219    -138.601     82.6606     41.3988      
1 1 1 17 2  21 o 0 51.3   8.7   ?    ?   257.507  30.1996      161.932    30.1996      0.917152    -149.8       
1 1 1 17 2  22 o 0 118    12.9  ?    ?   460.988  -83.8638     276.178    -83.8638     7.05802     96.1362      
1 1 1 17 2  23 o 0 37     8.8   ?    ?   281.993  149.047      101.404    149.047      70.3028     -30.9526     
1 1 1 17 2  24 o 0 134.3  13.6  ?    ?   517.253  59.0254      297.476    59.0254      2.15873     59.0254      
1 1 1 17 2  25 o 0 17.3   9.4   ?    ?   160.348  -149.526     41.2507    -149.526     46.1935     30.4745      
1 1 1 17 2  26 o 0 14.2   11.6  ?    ?   204.023  42.2044      19.9564    42.2044      90.1393     -137.796     
1 1 1 17 2  27 o 0 95.3   15.2  ?    ?   409.234  79.7583      258.542    79.7583      43.173      79.7583      
1 1 1 17 2  28 o 0 42.2   11.9  ?    ?   264.408  49.6322      147.655    49.6322      3.76507     49.6322      
1 1 1 17 2  29 o 0 83.3   10.7  ?    ?   350.461  -160.163     303.027    -160.163     69.2201     -160.163     
1 1 1 17 2  30 o 0 -10.5  9.7   ?    ?   34.7335  -99.1442     7.6583     80.8558      30.9953     80.8558      
1 1 1 17 2  31 o 0 17.9   8.4   ?    ?   170.594  -72.2024     80.7182    -72.2024     32.6186     107.798      
1 1 1 17 2  32 f 1 20.6   8.9   ?    ?   328.898  -38.2977     24.0537    -38.2977     186.176     141.702      
1 1 1 17 2  33 o 0 11.1   10.8  ?    ?   179.002  -29.4014     44.3869    -29.4014     65.5296     150.599      
1 1 1 17 2  34 o 0 -0.5   10.3  ?    ?   89.485   109.147      19.8758    109.147      33.6224     -70.8525     
1 1 1 17 2  35 o 0 21.3   9     ?    ?   145.21   165.023      123.783    165.023      43.156      165.023      
1 1 1 17 2  36 o 0 20.9   10.5  ?    ?   202.486  -179.133     102.803    -179.133     2.38076     -179.133     
1 1 1 17 3  0  o 0 377.4  34.9  ?    ?   1042.03  -90          596.049    -90          126.704     90           
1 1 1 17 3  1  o 0 83.1   6.3   ?    ?   353.005  -174.324     249.877    -174.324     5.46015     -174.324     
1 1 1 17 3  2  o 0 241.9  17.3  ?    ?   581.191  65.6788      476.868    65.6788      104.563     65.6788      
1 1 1 17 3  3  o 0 305.8  23.5  ?    ?   692.75   154.848      519.074    154.848      76.557      154.848      
1 1 1 17 3  4  o 0 48.9   5     ?    ?   373.641  -150.614     98.3271    -150.614     139.574     29.3862      
1 1 1 17 3  5  o 0 44.6   4.5   ?    ?   358.216  -125.591     86.6682    -125.591     140.59      54.4086      
1 1 1 17 3  6  o 0 1576   101.9 ?    ?   1708.15  -78.2802     1119.33    -78.2802     39.8932     -78.2802     
1 1 1 17 3  7  o 0 544.6  35.8  ?    ?   1020.68  134.022      639.977    134.022      2.33216     -45.9784     
1 1 1 17 3  8  o 0 10.3   3.8   ?    ?   240.23   128.128      68.3419    -51.8718     219.312     -51.8718     
1 1 1 17 3  9  o 0 29.2   4.9   ?    ?   408.018  -41.159      10.1918    138.841      265.424     138.841      
1 1 1 17 3  10 o 0 400.8  30.8  ?    ?   976.38   -174.147     473.397    -174.147     134.43      5.85306      
1 1 1 17 3  11 o 0 1426   117   ?    ?   1456.43  117.838      1127.07    117.838      224.929     117.838      
1 1 1 17 3  12 f 1 10.5   6.2   ?    ?   69.4977  -44.9709     15.7928    135.029      58.5068     135.029      
1 1 1 17 3  13 f 1 -18.2  6.7   ?    ?   97.6763  -77.5322     53.2865    102.468      112.866     102.468      
1 1 1 17 3  14 o 0 69.9   9.8   ?    ?   409.014  127.07       154.047    127.07       94.6717     -52.9296     
1 1 1 17 3  15 o 0 60.9   7.7   ?    ?   487.39   178.159      84.2671    178.159      210.368     -1.84072     
1 1 1 17 3  16 o 0 188.2  16.2  ?    ?   483.114  -57.8629     401.566    -57.8629     107.966     -57.8629     
1 1 1 17 3  17 o 0 161.2  14.5  ?    ?   547.924  -76.3226     309.892    -76.3226     20.9457     103.677      
1 1 1 17 3  18 o 0 76.1   9.3   ?    ?   292.112  -53.808      236.163    -53.808      49.9078     -53.808      
1 1 1 17 3  19 o 0 108.4  10.7  ?    ?   741.311  -35.2876     81.8535    -35.2876     392.294     144.712      
1 1 1 17 3  20 o 0 746.8  49.8  ?    ?   1155.51  112.969      747.73     112.969      14.2061     112.969      
1 1 1 17 3  21 o 0 108    12.6  ?    ?   478.253  -175.599     242.267    -175.599     52.8645     4.40116      
1 1 1 17 3  22 o 0 129.8  13.4  ?    ?   523.217  115.04       269.357    115.04       50.8245     -64.9599     
1 1 1 17 3  23 o 0 182.9  16.4  ?    ?   667.07   162.976      321.979    162.976      61.0238     -17.0237     
1 1 1 17 3  24 o 0 107.9  12.3  ?    ?   493.503  65.6409      244.667    65.6409      36.047      -114.359     
1 1 1 17 3  25 o 0 181.6  18.5  ?    ?   730.753  8.21425      292.114    8.21425      104.98      -171.786     
1 1 1 17 3  26 o 0 65.1   13.5  ?    ?   307.319  -54.2147     211.133    -54.2147     45.8596     -54.2147     
1 1 1 17 3  27 o 0 63.6   12.9  ?    ?   302.858  76.852       212.81     76.852       53.9408     76.852       
1 1 1 17 3  28 o 0 123.9  14.7  ?    ?   491.652  -108.7       277.1      -108.7       10.3722     -108.7       
1 1 1 17 3  29 o 0 42.9   10.3  ?    ?   290.012  -93.567      174.438    -93.567      22.3548     86.433       
1 1 1 17 3  30 o 0 0.5    8.2   ?    ?   65.2255  111.307      3.91333    -68.6935     47.6152     -68.6935     
1 1 1 17 3  31 o 0 6.2    10    ?    ?   277.694  -46.3992     37.8809    133.601      221.884     133.601      
1 1 1 17 3  32 o 0 3.7    10.5  ?    ?   74.7619  -137.714     22.8692    -137.714     24.9218     42.2863      
1 1 1 17 3  33 o 0 8.6    9     ?    ?   173.744  118.966      28.1059    118.966      78.3316     -61.0341     
1 1 1 17 3  34 o 0 -1.2   8.6   ?    ?   86.8612  -6.54644     8.34065    -6.54644     43.4747     173.454      
1 1 1 17 3  35 o 0 21.7   10    ?    ?   240.271  142.674      82.7591    142.674      50.3753     -37.3258     
1 1 1 17 3  36 o 0 27.3   11.2  ?    ?   214.631  -5.52539     130.798    -5.52539     24.5567     -5.52539     
1 1 1 17 4  0  o 0 90.1   11    ?    ?   473.031  90           266.902    90           35.294      -90          
1 1 1 17 4  1  o 0 71.8   6.2   ?    ?   470.733  -152.412     134.856    -152.412     165.352     27.5875      
1 1 1 17 4  2  o 0 2468.1 170.4 ?    ?   1976.72  32.06        1497.67    32.06        239.902     32.06        
1 1 1 17 4  3  o 0 158.9  11    ?    ?   583.273  -80.5331     305.318    -80.5331     64.7892     99.4669      
1 1 1 17 4  4  o 0 -1.2   3.5   ?    ?   133.605  146.22       74.0459    -33.7797     158.554     -33.7797     
1 1 1 17 4  5  o 0 83     7.5   ?    ?   370.073  136.278      219.311    136.278      13.944      -43.7224     
1 1 1 17 4  6  o 0 1228.9 79.6  ?    ?   1379.99  175.386      1062.48    175.386      195.997     175.386      
1 1 1 17 4  7  o 0 338.3  22.6  ?    ?   573.349  156.181      626.409    156.181      266.778     156.181      
1 1 1 17 4  8  o 0 318.1  22.7  ?    ?   892.43   -51.9959     405.991    -51.9959     151.378     128.004      
1 1 1 17 4  9  f 1 71.5   6.8   ?    ?   452.403  -136.92      139.539    -136.92      141.016     43.0804      
1 1 1 17 4  10 o 0 102.9  9.9   ?    ?   477.612  9.67383      218.001    9.67383      77.558      -170.326     
1 1 1 17 4  11 f 1 134.8  13    ?    ?   416.593  -102.386     328.44     -102.386     72.5583     -102.386     
1 1 1 17 4  12 o 0 91.3   10.3  ?    ?   219.093  149.904      283.768    149.904      149.533     149.904      
1 1 1 17 4  13 o 0 20.7   6.9   ?    ?   199.319  43.3902      10.1214    43.3902      111.091     -136.61      
1 1 1 17 4  14 o 0 -3.2   11.9  ?    ?   60.3221  -7.62484     20.0972    172.375      56.5789     172.375      
1 1 1 17 4  15 f 1 1210.3 84.3  ?    ?   1302.01  67.8663      1042.3     67.8663      261.412     67.8663      
1 1 1 17 4  16 f 1 72.7   8.9   ?    ?   323.601  -106.78      201.553    -106.78      6.41573     -106.78      
1 1 1 17 4  17 o 0 24.4   6.7   ?    ?   290.772  -135.19      17.8118    -135.19      156.871     44.8103      
1 1 1 17 4  18 o 0 231.4  17.4  ?    ?   610.4    -140.457     428.912    -140.457     41.6242     -140.457     
1 1 1 17 4  19 o 0 4.7    6.9   ?    ?   213.976  58.9215      74.4788    -121.079     210.685     -121.079     
1 1 1 17 4  20 o 0 36.8   7.8   ?    ?   371.565  70.5612      51.7014    70.5612      183.073     -109.439     
1 1 1 17 4  21 f 1 47.9   8.6   ?    ?   193.117  -179.369     175.793    -179.369     57.4625     -179.369     
1 1 1 17 4  22 o 0 172.7  15    ?    ?   555.914  100.228      344.08     100.228      5.37707     100.228      
1 1 1 17 4  23 o 0 35.5   8.4   ?    ?   59.5859  -3.25631     81.3935    -3.25631     47.3268     -3.25631     
1 1 1 17 4  24 o 0 128.4  17.3  ?    ?   513.293  -51.1803     279.74     -51.1803     11.034      128.82       
1 1 1 17 4  25 o 0 16.5   9.4   ?    ?   148.275  -37.538      37.0754    -37.538      43.1784     142.462      
1 1 1 17 4  26 o 0 70.8   13.4  ?    ?   132.153  -48.1945     277.82     -48.1945     208.003     -48.1945     
1 1 1 17 4  27 o 0 46.4   12.7  ?    ?   334.545  -38.3514     137.03     -38.3514     37.8133     141.649      
1 1 1 17 4  28 o 0 45.2   10.6  ?    ?   295.37   43.7288      182        43.7288      16.1566     -136.271     
1 1 1 17 4  29 o 0 47.6   10.5  ?    ?   246.684  -0.34376     219.741    -0.34376     52.9214     -0.34376     
1 1 1 17 4  30 o 0 9.6    10.2  ?    ?   52.7406  137.219      30.2914    137.219      5.00707     -42.7811     
1 1 1 17 4  31 o 0 1      8.5   ?    ?   28.5539  16.6987      1.36496    16.6987      17.4958     -163.301     
1 1 1 17 4  32 f 1 -0.8   9.3   ?    ?   30.0332  -80.948      3.29915    -80.948      15.7925     99.052       
1 1 1 17 4  33 o 0 112.4  14    ?    ?   406.685  146.839      345.736    146.839      97.3111     146.839      
1 1 1 17 4  34 o 0 66.7   10.9  ?    ?   273.32   -2.0665      277.228    -2.0665      114.631     -2.0665      
1 1 1 17 4  35 o 0 43     10    ?    ?   169.532  104.977      235.12     104.977      141.426     104.977      
1 1 1 17 4  36 o 0 8.8    11.1  ?    ?   157.656  -42.6414     62.4744    -42.6414     15.3716     137.359      
1 1 1 17 5  0  o 0 304.4  32.8  ?    ?   807.288  90           488.747    90           23.2673     -90          
1 1 1 17 5  1  o 0 217.3  15.6  ?    ?   674.838  -58.7848     371.435    -58.7848     55.8645     121.215      
1 1 1 17 5  2  f 1 311.6  20.7  ?    ?   549.269  -172.824     606.807    -172.824     260.673     -172.824     
1 1 1 17 5  3  o 0 776.9  50.4  ?    ?   1442.69  78.8962      632.089    78.8962      276.968     -101.104     
1 1 1 17 5  4  o 0 50.3   5.4   ?    ?   279.295  -6.9768      138.36     -6.9768      37.0872     173.023      
1 1 1 17 5  5  o 0 43.6   5.2   ?    ?   132.218  134.731      108.546    134.731      25.7725     134.731      
1 1 1 17 5  6  o 0 2119.7 146.3 ?    ?   2097.81  97.1993      1194.79    97.1993      117.663     -82.8007     
1 1 1 17 5  7  o 0 1214.1 91    ?    ?   1239.62  -54.2245     1117.94    -54.2245     345.461     -54.2245     
1 1 1 17 5  8  o 0 257.6  18.7  ?    ?   711.481  -127.653     412.245    -127.653     29.2711     52.3466      
1 1 1 17 5  9  o 0 -8.6   5.1   ?    ?   74.6955  107.981      41.2605    -72.0188     87.4109     -72.0188     
1 1 1 17 5  10 o 0 275.3  23.6  ?    ?   589.622  128.271      506.1      128.271      143.467     128.271      
1 1 1 17 5  11 o 0 152.8  14.4  ?    ?   579.553  143.577      280.675    143.577      74.0689     -36.4229     
1 1 1 17 5  12 o 0 209.5  19    ?    ?   710.731  -69.6164     320.822    -69.6163     111.128     110.384      
1 1 1 17 5  13 o 0 33.7   7.5   ?    ?   268.644  170.971      67.579     170.971      94.8483     -9.02872     
1 1 1 17 5  14 o 0 325.2  28.9  ?    ?   811.036  -74.2447     448.525    -74.2447     39.2011     105.755      
1 1 1 17 5  15 o 0 556.7  39.5  ?    ?   1207.82  -89.0267     509.394    -89.0267     212.854     90.9733      
1 1 1 17 5  16 o 0 336    24.6  ?    ?   764.96   118.415      482.82     118.415      22.849      118.415      
1 1 1 17 5  17 o 0 140.5  12.1  ?    ?   427.49   50.0731      346.35     50.0732      74.7472     50.0732      
1 1 1 17 5  18 o 0 31.1   6.8   ?    ?   199.782  -96.7849     86.3869    -96.7849     41.0166     83.2151      
1 1 1 17 5  19 f 1 551.4  37.2  ?    ?   740.239  54.588       795.704    54.588       328.095     54.588       
1 1 1 17 5  20 o 0 254.7  20.6  ?    ?   568.446  -98.7695     483.5      -98.7695     126.101     -98.7695     
1 1 1 17 5  21 o 0 10.4   8.3   ?    ?   60.6358  25.8544      2.54223    -154.146     39.6123     -154.146     
1 1 1 17 5  22 o 0 10.7   8.6   ?    ?   34.426   -50.1694     0.648368   129.831      21.5245     129.831      
1 1 1 17 5  23 o 0 67.3   9.8   ?    ?   367.581  6.94444      191.737    6.94444      17.454      -173.056     
1 1 1 17 5  24 o 0 43.4   9.5   ?    ?   374.769  162.887      99.4819    162.887      111.872     -17.1135     
1 1 1 17 5  25 o 0 97.6   13.3  ?    ?   427.924  -153.382     255.232    -153.382     24.6252     -153.382     
1 1 1 17 5  26 o 0 2.2    11.1  ?    ?   78.1513  129.363      0.521299   -50.6366     41.6344     -50.6366     
1 1 1 17 5  27 o 0 57.5   13.5  ?    ?   299.553  -66.5844     190.154    -66.5844     34.2412     -66.5844     
1 1 1 17 5  28 o 0 11.6   9.9   ?    ?   165.68   59.6529      28.1429    59.6529      82.5653     -120.347     
1 1 1 17 5  29 o 0 14.6   9.8   ?    ?   231.237  -102.704     31.1997    -102.704     124.57      77.2962      
1 1 1 17 5  30 f 1 -4.4   8.2   ?    ?   134.022  45.4739      28.736     -134.526     117.87      -134.526     
1 1 1 17 5  31 f 1 38.4   9.1   ?    ?   224.578  -129.796     189.915    -129.796     45.6955     -129.796     
1 1 1 17 5  32 o 0 -1.7   8.2   ?    ?   103.736  -151.351     3.19414    28.6491      67.2576     28.6491      
1 1 1 17 5  33 o 0 13.4   8.6   ?    ?   56.4327  159.34       61.3668    159.34       27.4001     159.34       
1 1 1 17 5  34 o 0 25.3   9.4   ?    ?   113.031  67.8288      159.089    67.8288      95.8367     67.8288      
1 1 1 17 5  35 f 1 11.3   10.6  ?    ?   196.758  -127.467     59.7267    -127.467     38.4717     52.5326      
1 1 1 17 6  0  f 1 56     7     ?    ?   307.514  -90          191.873    -90          1.18626     90           
1 1 1 17 6  1  o 0 298.1  19.8  ?    ?   737.066  168.618      472.813    168.618      9.60317     168.618      
1 1 1 17 6  2  o 0 678.2  44.3  ?    ?   1061.41  -169.192     762.306    -169.192     96.6512     -169.192     
1 1 1 17 6  3  o 0 997.5  69.1  ?    ?   1209.22  37.7955      970.209    37.7955      211.466     37.7955      
1 1 1 17 6  4  o 0 106.5  8.4   ?    ?   381.122  -31.7447     279.267    -31.7447     40.8281     -31.7447     
1 1 1 17 6  5  o 0 127.8  9.2   ?    ?   516.611  -22.6432     263.325    -22.6432     58.8225     157.357      
1 1 1 17 6  7  o 0 62.2   7.4   ?    ?   379.913  72.8335      141.907    72.8335      93.255      -107.166     
1 1 1 17 6  8  f 1 699.4  57.6  ?    ?   1307.64  162.918      616.485    162.918      187.59      -17.0822     
1 1 1 17 6  9  o 0 70.1   8     ?    ?   321.393  97.0103      192.126    97.0103      5.16915     -82.9897     
1 1 1 17 6  10 o 0 2      5.4   ?    ?   335.746  -87.1971     154.88     92.8029      360.071     92.8029      
1 1 1 17 6  11 o 0 855    70.8  ?    ?   1062.82  65.8627      896.373    65.8627      251.239     65.8627      
1 1 1 17 6  12 o 0 90     10.3  ?    ?   179.628  73.1853      280.316    73.1853      171.808     73.1853      
1 1 1 17 6  13 f 1 -2.4   6.9   ?    ?   201.494  -91.5753     91.245     88.4247      212.036     88.4247      
1 1 1 17 6  14 o 0 937    77.2  ?    ?   1105.41  70.0704      928.247    70.0704      267.374     70.0704      
1 1 1 17 6  15 o 0 814.6  53.6  ?    ?   850.972  -130.001     965.4      -130.001     453.621     -130.001     
1 1 1 17 6  16 o 0 319.7  22.5  ?    ?   760.686  -118.687     459.22     -118.687     4.39151     -118.687     
1 1 1 17 6  17 o 0 114    10.6  ?    ?   501.196  84.171       238.964    84.171       77.7092     -95.829      
1 1 1 17 6  18 o 0 20.6   7.8   ?    ?   139.559  144.579      28.6018    144.579      59.9144     -35.4211     
1 1 1 17 6  19 o 0 684.2  48.8  ?    ?   976.604  128.133      787.95     128.133      172.728     128.133      
1 1 1 17 6  20 o 0 60.8   9.8   ?    ?   461.025  -36.687      109.015    -36.687      173.531     143.313      
1 1 1 17 6  21 o 0 76.6   9.7   ?    ?   320.744  -8.33162     231.434    -8.33162     36.3482     -8.33162     
1 1 1 17 6  22 o 0 15.8   8.2   ?    ?   298.253  -138.535     12.0154    41.4651      182.358     41.4651      
1 1 1 17 6  23 o 0 15.7   7.9   ?    ?   277.101  14.6146      5.06381    -165.385     161.987     -165.385     
1 1 1 17 6  24 o 0 156.1  16.5  ?    ?   587.288  157.25       314.412    157.25       3.58774     -22.75       
1 1 1 17 6  25 o 0 29.2   11.3  ?    ?   32.0089  87.7588      35.0376    87.7588      17.8694     87.7588      
1 1 1 17 6  26 o 0 42.3   13.2  ?    ?   287.802  -160.698     140.085    -160.698     10.6208     19.3024      
1 1 1 17 6  27 f 1 10.4   9.3   ?    ?   112.979  -19.3864     21.7812    -19.3864     39.3033     160.614      
1 1 1 17 6  28 o 0 48.4   14    ?    ?   99.4561  128.413      233.595    128.413      167.43      128.413      
1 1 1 17 6  29 o 0 24.8   9.8   ?    ?   233.861  128.959      96.4418    128.959      60.4192     -51.0408     
1 1 1 17 6  30 o 0 20.3   8.3   ?    ?   123.672  165.559      108.104    165.559      25.9874     165.559      
1 1 1 17 6  31 f 1 3.9    8.3   ?    ?   111.242  120.054      12.9612    120.054      58.1847     -59.9457     
1 1 1 17 6  32 o 0 104.4  12.8  ?    ?   437.271  -128.089     310.115    -128.089     41.1451     -128.089     
1 1 1 17 6  33 f 1 23.4   9     ?    ?   253.499  20.7623      88.1859    20.7623      63.4142     -159.238     
1 1 1 17 6  34 o 0 21     9.7   ?    ?   164.392  112.407      115.464    112.407      23.8161     112.407      
1 1 1 17 6  35 o 0 20.6   10.8  ?    ?   185.882  -73.2341     107.862    -73.2341     15.1918     -73.2341     
1 1 1 17 7  0  o 0 114.8  11.8  ?    ?   180.434  -90          259.666    -90          146.652     -90          
1 1 1 17 7  1  f 1 160.2  11    ?    ?   785.935  52.6803      185.538    52.6803      304.777     -127.32      
1 1 1 17 7  2  o 0 319.8  22.7  ?    ?   812.656  129.745      456.049    129.745      51.263      -50.2554     
1 1 1 17 7  3  o 0 722.5  54.3  ?    ?   1180.35  -102.751     723.931    -102.751     11.1644     77.2488      
1 1 1 17 7  4  o 0 112.7  9.7   ?    ?   457.094  34.8306      255.718    34.8306      28.1595     -145.169     
1 1 1 17 7  5  o 0 135.6  12.4  ?    ?   408.428  152.66       335.848    152.66       82.9839     152.66       
1 1 1 17 7  6  o 0 529.1  40.2  ?    ?   1075.28  -21.3329     571.336    -21.3329     92.1177     158.667      
1 1 1 17 7  7  o 0 88.2   8.5   ?    ?   122.57   141.089      244.893    141.089      169.544     141.089      
1 1 1 17 7  8  o 0 195.8  15.8  ?    ?   345.328  23.4331      488.892    23.4331      277.43      23.4331      
1 1 1 17 7  9  o 0 68.2   7     ?    ?   222.366  89.4858      210.181    89.4858      74.5745     89.4858      
1 1 1 17 7  10 o 0 949.7  78    ?    ?   1489.76  -28.7277     722.985    -28.7277     179.656     151.272      
1 1 1 17 7  11 o 0 704.2  65.5  ?    ?   811.289  -54.9019     892.697    -54.9019     403.358     -54.9019     
1 1 1 17 7  12 o 0 225.9  20.1  ?    ?   510.234  118.56       456.395    118.56       150.094     118.56       
1 1 1 17 7  13 o 0 4.4    6.4   ?    ?   221.841  68.08        83.4818    -111.92      215.999     -111.92      
1 1 1 17 7  14 o 0 88     8.6   ?    ?   242.866  98.6274      273.931    98.6273      127.941     98.6273      
1 1 1 17 7  15 o 0 892.9  58.5  ?    ?   1465.86  -116.948     668.029    -116.948     208.336     63.0525      
1 1 1 17 7  16 o 0 128.5  11.3  ?    ?   471.455  -46.3826     292.104    -46.3826     5.86144     133.617      
1 1 1 17 7  17 o 0 101.3  10.8  ?    ?   468.304  126.536      222.379    126.536      74.8536     -53.4644     
1 1 1 17 7  18 o 0 230.4  18.9  ?    ?   559.303  12.409       448.241    12.409       95.5007     12.409       
1 1 1 17 7  19 o 0 20.3   6.9   ?    ?   196.531  -82.9746     22.3446    -82.9746     100.773     97.0254      
1 1 1 17 7  20 o 0 34.4   8.2   ?    ?   205.742  125.094      113.069    125.094      12.3322     -54.9065     
1 1 1 17 7  21 o 0 60.7   8.9   ?    ?   302.043  21.4438      186.492    21.4438      3.77225     21.4438      
1 1 1 17 7  22 o 0 87.4   10.3  ?    ?   311.49   -49.218      278.133    -49.218      101.175     -49.218      
1 1 1 17 7  23 o 0 82.6   11.8  ?    ?   397.515  -14.6647     220.727    -14.6647     3.21063     165.335      
1 1 1 17 7  24 o 0 512.3  38.6  ?    ?   805.338  -43.7814     718.279    -43.7814     284.456     -43.7814     
1 1 1 17 7  25 o 0 96.5   12.3  ?    ?   454.534  89.5791      243.439    89.5791      4.24411     89.5791      
1 1 1 17 7  26 o 0 49.6   10.4  ?    ?   383.413  100.272      130.223    100.272      69.5507     -79.7283     
1 1 1 17 7  27 o 0 132.9  15.3  ?    ?   554.921  85.9588      325.861    85.9588      45.6174     -94.0412     
1 1 1 17 7  28 f 1 118.3  18.3  ?    ?   527.626  25.5237      287.139    25.5237      68.3004     -154.476     
1 1 1 17 7  29 o 0 -1.2   9.5   ?    ?   204.615  -52.2026     35.2407    127.797      172.139     127.797      
1 1 1 17 7  30 o 0 41.7   9     ?    ?   204.574  -137.45      211.86     -137.45      76.6529     -137.45      
1 1 1 17 7  31 o 0 17     8.4   ?    ?   164.193  87.1591      80.8572    87.1591      23.9481     -92.8409     
1 1 1 17 7  32 o 0 32.1   9.3   ?    ?   219.393  -74.6766     158.489    -74.6766     24.1355     -74.6766     
1 1 1 17 7  33 o 0 34     9.5   ?    ?   176.343  156.867      188.309    156.867      83.0378     156.867      
1 1 1 17 7  34 o 0 29.8   11.2  ?    ?   226.636  156.697      130.821    156.697      5.00825     156.697      
1 1 1 17 7  35 o 0 -5.3   9.9   ?    ?   29.9878  -7.65795     14.5866    -7.65795     0.301666    172.342      
1 1 1 17 8  0  o 0 112.5  13.6  ?    ?   267.063  90           279.556    90           113.656     90           
1 1 1 17 8  1  o 0 249.2  19.3  ?    ?   810.595  9.23902      339.436    9.23902      163.484     -170.761     
1 1 1 17 8  2  o 0 990.5  74.3  ?    ?   1357.69  -162.827     859.002    -162.827     18.1183     -162.827     
1 1 1 17 8  3  o 0 189    15    ?    ?   640.665  152.48       325.336    152.48       70.5858     -27.5198     
1 1 1 17 8  4  o 0 21.4   4.4   ?    ?   296.771  29.4764      9.19508    -150.524     192.119     -150.524     
1 1 1 17 8  5  o 0 27.2   4.7   ?    ?   197.514  47.1731      44.7845    47.1731      76.6015     -132.827     
1 1 1 17 8  6  o 0 71.7   7.1   ?    ?   476.186  115.096      125.287    115.096      166.415     -64.904      
1 1 1 17 8  7  o 0 1628.6 133.3 ?    ?   1629.53  -99.7327     1136.92    -99.7327     142.198     -99.7327     
1 1 1 17 8  8  o 0 197.9  17.2  ?    ?   678.851  -30.6603     315.139    -30.6603     97.7022     149.34       
1 1 1 17 8  9  o 0 82.3   8.1   ?    ?   455.765  -117.181     168.978    -117.181     106.498     62.8189      
1 1 1 17 8  10 o 0 239.2  20.8  ?    ?   662.939  -154.101     397.396    -154.101     1.62565     25.8992      
1 1 1 17 8  11 o 0 176    21.5  ?    ?   702.981  -16.9827     255.395    -16.9827     165.869     163.017      
1 1 1 17 8  12 o 0 65.3   8.3   ?    ?   407.515  -49.4298     137.164    -49.4298     105.914     130.57       
1 1 1 17 8  13 o 0 103.7  10.9  ?    ?   279.346  -104.953     305.118    -104.953     137.385     -104.953     
1 1 1 17 8  14 o 0 75.2   8.6   ?    ?   379.76   -78.4874     181.715    -78.4874     45.1526     101.513      
1 1 1 17 8  15 o 0 75.2   8.8   ?    ?   181.866  115.239      254.018    115.239      139.122     115.239      
1 1 1 17 8  16 o 0 62.2   7.9   ?    ?   445.653  -172.876     114.837    -172.876     168.017     7.12404      
1 1 1 17 8  17 o 0 132    11.5  ?    ?   446.491  -87.6592     311.417    -87.6592     29.7126     -87.6592     
1 1 1 17 8  18 o 0 226.8  18.8  ?    ?   566.216  -21.1219     435.001    -21.1219     79.998      -21.1219     
1 1 1 17 8  19 o 0 44.3   7.5   ?    ?   152.243  29.6775      160        29.6775      67.0883     29.6775      
1 1 1 17 8  20 o 0 298.7  22    ?    ?   795.836  -158.877     424.978    -158.878     57.3075     21.1225      
1 1 1 17 8  21 o 0 49.3   9.7   ?    ?   450.028  -140.689     87.5889    -140.689     168.652     39.3111      
1 1 1 17 8  22 o 0 14.1   7.5   ?    ?   167.632  -117.886     12.5568    -117.886     82.1416     62.1139      
1 1 1 17 8  23 o 0 299.9  25.6  ?    ?   922.242  -139.818     388.428    -139.818     110.033     40.1818      
1 1 1 17 8  24 o 0 33.8   9.2   ?    ?   371.233  11.8334      67.6793    11.8334      131.204     -168.167     
1 1 1 17 8  25 o 0 18.5   9.6   ?    ?   304.992  -36.6203     16.6485    -36.6203     142.984     143.38       
1 1 1 17 8  26 o 0 46.2   10.1  ?    ?   284.968  -11.437      156.977    -11.437      2.46993     -11.437      
1 1 1 17 8  27 f 1 11.2   8.7   ?    ?   107.642  -123.065     28.2314    -123.065     43.2635     56.9353      
1 1 1 17 8  28 o 0 6.4    9.6   ?    ?   68.0521  -136.237     18.2103    -136.237     27.5132     43.7634      
1 1 1 17 8  29 o 0 82.5   13.4  ?    ?   384.734  -46.9        267.156    -46.9        11.0658     -46.9        
1 1 1 17 8  30 o 0 7.9    9.8   ?    ?   185.511  -37.7957     19.0481    -37.7957     100.29      142.204      
1 1 1 17 8  31 f 1 59.4   10.1  ?    ?   380.547  -68.9853     197.6      -68.9853     36.8245     111.015      
1 1 1 17 8  32 f 1 39     10.3  ?    ?   175.766  -65.0565     214.438    -65.0565     108.812     -65.0565     
1 1 1 17 8  33 o 0 87     12    ?    ?   376.961  139.568      301.168    139.568      89.8142     139.568      
1 1 1 17 8  34 o 0 3.6    10    ?    ?   58.4637  -53.2226     47.8386    -53.2226     18.501      -53.2226     
1 1 1 17 9  0  f 1 6.9    5.5   ?    ?   332.004  -90          27.3921    -90          176.566     90           
1 1 1 17 9  1  o 0 147.3  13.3  ?    ?   572.052  -4.79908     274.378    -4.79908     77.5896     175.201      
1 1 1 17 9  2  o 0 566.8  42.9  ?    ?   887.136  144.659      723.409    144.659      178.424     144.659      
1 1 1 17 9  3  o 0 1124.5 84.2  ?    ?   1393.54  156.505      936.121    156.505      81.7497     156.505      
1 1 1 17 9  4  o 0 38.3   5     ?    ?   186.715  -66.3212     96.2837    -66.3213     17.9154     113.679      
1 1 1 17 9  5  o 0 12.2   4.8   ?    ?   163.835  83.1293      31.9293    -96.8707     131.859     -96.8707     
1 1 1 17 9  6  o 0 535.5  40.6  ?    ?   785.78   -44.3983     738.366    -44.3983     260.554     -44.3983     
1 1 1 17 9  7  o 0 187.2  18.4  ?    ?   441.201  -48.3643     423.12     -48.3643     156.31      -48.3643     
1 1 1 17 9  8  o 0 294.1  25.1  ?    ?   597.766  -174.855     523.183    -174.855     162.99      -174.855     
1 1 1 17 9  9  o 0 27     6.1   ?    ?   264.839  -67.1392     34.8321    -67.1392     124.14      112.861      
1 1 1 17 9  10 o 0 1321.2 108.4 ?    ?   1576.47  161.775      942.978    161.775      0.522034    161.775      
1 1 1 17 9  11 o 0 631.9  53    ?    ?   1108.04  113.408      642.045    113.408      17.5394     -66.5917     
1 1 1 17 9  12 o 0 75.4   9.3   ?    ?   461.462  21.5745      142.464    21.5745      134.145     -158.425     
1 1 1 17 9  13 f 1 7.2    6.8   ?    ?   274.598  -100.449     86.0535    79.5508      249.45      79.5508      
1 1 1 17 9  14 o 0 229.7  16.6  ?    ?   671.561  65.9514      387.979    65.9514      35.8517     -114.049     
1 1 1 17 9  15 o 0 293.2  20.7  ?    ?   661.487  124.047      499.246    124.047      83.9735     124.047      
1 1 1 17 9  16 o 0 321.1  25.8  ?    ?   662.206  -112.717     536.134    -112.717     118.452     -112.717     
1 1 1 17 9  17 o 0 107.8  10    ?    ?   339.824  -88.3528     304.395    -88.3528     91.3123     -88.3528     
1 1 1 17 9  18 o 0 90.2   10.8  ?    ?   398.634  -73.3277     234.201    -73.3277     9.20756     106.672      
1 1 1 17 9  19 o 0 159.2  15    ?    ?   511.31   58.5226      339.211    58.5226      29.0529     58.5226      
1 1 1 17 9  20 o 0 54.6   8.4   ?    ?   264.866  163.162      178.854    163.162      19.305      163.162      
1 1 1 17 9  21 o 0 98.2   10.5  ?    ?   285.125  -158.973     318.132    -158.973     156.751     -158.973     
1 1 1 17 9  22 o 0 45.4   8.3   ?    ?   242.735  -145.234     171.337    -145.234     39.8229     -145.234     
1 1 1 17 9  23 f 1 21.8   8.6   ?    ?   419.06   -37.1382     18.0427    142.862      242.636     142.862      
1 1 1 17 9  24 o 0 571.3  48.6  ?    ?   1036.78  124.416      649.419    124.416      104.857     124.416      
1 1 1 17 9  25 o 0 10.4   8.6   ?    ?   227.926  -157.455     4.27488    22.5452      122.886     22.5452      
1 1 1 17 9  26 o 0 11.6   8.4   ?    ?   123.045  -46.2208     30.4721    -46.2208     51.8501     133.779      
1 1 1 17 9  27 o 0 9.1    9.4   ?    ?   282.338  -131.732     29.6776    48.2684      220.39      48.2684      
1 1 1 17 9  28 o 0 50.2   10.4  ?    ?   421.893  -144.507     125.433    -144.507     156.451     35.4928      
1 1 1 17 9  29 o 0 30.8   10.6  ?    ?   186.718  134.129      152.31     134.129      28.7106     134.129      
1 1 1 17 9  30 o 0 54     11.8  ?    ?   229.461  66.7404      251.407    66.7404      104.601     66.7404      
1 1 1 17 9  31 o 0 26.7   9.3   ?    ?   174.511  -31.7335     141.947    -31.7335     34.7491     -31.7335     
1 1 1 17 9  32 o 0 96.6   12.5  ?    ?   365.244  92.7976      327.335    92.7976      108.45      92.7976      
1 1 1 17 9  33 o 0 9.4    10.6  ?    ?   67.5627  32.7033      57.6705    32.7033      19.9887     32.7033      
1 1 1 17 9  34 o 0 76.6   14    ?    ?   300.735  -43.4913     301.95     -43.4913     151.821     -43.4913     
1 1 1 17 10 0  o 0 3.6    5.7   ?    ?   180.328  -90          10.0173    -90          100.07      90           
1 1 1 17 10 1  o 0 351.7  26.8  ?    ?   859.552  -155.173     463.883    -155.173     60.4315     24.8274      
1 1 1 17 10 2  o 0 926.2  69.6  ?    ?   1349.92  24.51        791.32     24.51        31.0208     -155.49      
1 1 1 17 10 3  o 0 729.5  60.1  ?    ?   1194.2   -0.0640501   702.409    -0.0640501   22.2057     179.936      
1 1 1 17 10 4  o 0 3.2    4.1   ?    ?   181.275  158.419      81.1116    -21.5809     190.865     -21.5809     
1 1 1 17 10 5  o 0 -7     4.1   ?    ?   134.749  -119.054     74.2381    60.946       155.614     60.946       
1 1 1 17 10 6  o 0 60     7.3   ?    ?   357.548  47.6857      143.108    47.6857      72.1983     -132.314     
1 1 1 17 10 7  o 0 466    38.9  ?    ?   1148.07  55.9229      439.167    55.9229      249.983     -124.077     
1 1 1 17 10 8  o 0 168.2  14    ?    ?   418.397  135.239      392.925    135.239      142.636     135.239      
1 1 1 17 10 9  o 0 14.8   4.9   ?    ?   330.499  27.6371      59.9948    -152.363     256.975     -152.363     
1 1 1 17 10 10 o 0 351.5  33.9  ?    ?   786.465  33.353       492.534    33.353       25.6343     33.353       
1 1 1 17 10 11 o 0 146.7  16.8  ?    ?   690.569  128.712      196.636    128.712      216.334     -51.2882     
1 1 1 17 10 12 o 0 147.2  14.5  ?    ?   519.843  150.659      290.904    150.659      18.5997     -29.3406     
1 1 1 17 10 13 o 0 107.4  10.7  ?    ?   456.52   68.8383      245.389    68.8383      42.2473     -111.162     
1 1 1 17 10 14 o 0 46.9   7     ?    ?   328.46   37.2441      116.757    37.2441      91.3013     -142.756     
1 1 1 17 10 15 o 0 200.3  15.9  ?    ?   487.768  -31.4691     433.315    -31.4691     125.954     -31.4691     
1 1 1 17 10 16 o 0 20.5   7.2   ?    ?   56.4011  -163.597     16.9309    -163.597     18.4142     16.4034      
1 1 1 17 10 17 o 0 46.4   8.6   ?    ?   301.489  120.848      134.847    120.848      49.2091     -59.1523     
1 1 1 17 10 18 o 0 -0.5   7.3   ?    ?   98.3668  -58.4771     35.289     121.523      94.9706     121.523      
1 1 1 17 10 19 o 0 166.6  15.2  ?    ?   634.027  104.26       283.377    104.26       98.792      -75.7402     
1 1 1 17 10 20 o 0 26.1   7.8   ?    ?   160.439  -162.707     87.3421    -162.707     3.56602     17.2932      
1 1 1 17 10 21 o 0 3.4    6.8   ?    ?   92.5178  -26.7553     21.8458    153.245      73.8842     153.245      
1 1 1 17 10 22 o 0 -4.5   8.2   ?    ?   201.996  34.8054      61.6697    -145.195     170.433     -145.195     
1 1 1 17 10 23 o 0 30.5   8.6   ?    ?   101.367  97.7674      114.191    97.7674      60.8101     97.7674      
1 1 1 17 10 24 f 1 25.4   9.1   ?    ?   268.622  159.434      69.6109    159.434      70.2558     -20.5665     
1 1 1 17 10 25 f 1 12.7   7.5   ?    ?   230.55   124.266      8.87373    124.266      115.557     -55.7342     
1 1 1 17 10 26 o 0 22.6   8     ?    ?   142.116  167.626      106.671    167.626      12.1651     167.626      
1 1 1 17 10 27 o 0 4.5    8.5   ?    ?   110.313  140.339      6.08134    140.339      67.9848     -39.6614     
1 1 1 17 10 28 o 0 31.2   9.3   ?    ?   329.102  156.075      89.2571    156.075      129.798     -23.9245     
1 1 1 17 10 29 f 1 -4.2   9.6   ?    ?   110.93   60.2433      6.54284    -119.757     77.7685     -119.757     
1 1 1 17 10 30 o 0 8.8    10.3  ?    ?   60.9942  -176.072     38.5736    -176.072     0.850218    -176.072     
1 1 1 17 10 31 o 0 19.9   8.7   ?    ?   220.958  153.035      83.3267    153.035      50.0855     -26.9653     
1 1 1 17 10 32 o 0 22.9   9.6   ?    ?   160.613  -42.2201     120.491    -42.2201     24.793      -42.2201     
1 1 1 17 10 33 o 0 58     12.5  ?    ?   302.146  -4.77101     227.225    -4.77101     59.6718     -4.77101     
1 1 1 17 11 0  o 0 -0.8   5.7   ?    ?   22.6115  90           0.772787   90           12.8757     -90          
1 1 1 17 11 1  o 0 3.9    4.1   ?    ?   123.664  162.817      52.8798    -17.1832     127.481     -17.1832     
1 1 1 17 11 2  o 0 118.2  11    ?    ?   401.07   -32.69       291.867    -32.69       50.1813     -32.69       
1 1 1 17 11 3  o 0 235.4  18.5  ?    ?   775.122  35.3342      327.895    35.3342      138.471     -144.666     
1 1 1 17 11 4  o 0 26.7   4.6   ?    ?   283.435  -11.1488     28.3978    -11.1488     141.801     168.851      
1 1 1 17 11 5  o 0 102.3  10.2  ?    ?   453.29   -135.172     224.218    -135.172     47.3391     44.828       
1 1 1 17 11 6  o 0 81     8.4   ?    ?   529.837  -88.6345     125.038    -88.6345     191.527     91.3655      
1 1 1 17 11 7  o 0 521.3  39.9  ?    ?   624.512  -9.61006     800.216    -9.61006     428.198     -9.61006     
1 1 1 17 11 8  o 0 5.6    5.5   ?    ?   59.2749  -63.2946     20.8187    116.705      56.0131     116.705      
1 1 1 17 11 9  o 0 31.9   6.5   ?    ?   171.087  112.535      77.7891    112.535      24.6018     -67.4648     
1 1 1 17 11 10 f 1 461.7  39.3  ?    ?   1136.74  -74.479      426.465    -74.479      249.517     105.521      
1 1 1 17 11 11 o 0 475.9  36.9  ?    ?   966.692  -72.9615     539.183    -72.9615     34.8243     107.039      
1 1 1 17 11 12 o 0 76.4   8.6   ?    ?   344.037  39.3996      211.92     39.3996      4.33964     -140.6       
1 1 1 17 11 13 o 0 132    11.4  ?    ?   428.67   -4.47775     321.812    -4.47775     50.8147     -4.47775     
1 1 1 17 11 14 o 0 312    27.8  ?    ?   730.983  -53.2959     478.714    -53.2959     18.8416     -53.2959     
1 1 1 17 11 15 o 0 69.7   10    ?    ?   450.562  73.929       135.149    73.929       146.849     -106.071     
1 1 1 17 11 16 o 0 285.4  21.8  ?    ?   652.636  124.504      490.654    124.504      92.5831     124.504      
1 1 1 17 11 17 o 0 27.7   6.9   ?    ?   179.018  138.352      82.9095    138.352      25.6499     -41.6479     
1 1 1 17 11 18 o 0 155.1  13.6  ?    ?   410.97   97.8582      382.375    97.8582      134.682     97.8582      
1 1 1 17 11 19 f 1 85.4   10.5  ?    ?   575.506  -176.933     141.629    -176.933     183.731     3.06666      
1 1 1 17 11 20 o 0 130.1  13.2  ?    ?   341.638  83.2092      369.477    83.2092      177.169     83.2092      
1 1 1 17 11 21 o 0 12.2   8.3   ?    ?   159.651  -36.4407     12.1344    -36.4407     73.9341     143.559      
1 1 1 17 11 22 o 0 12.5   8.3   ?    ?   153.285  117.58       13.1539    117.58       68.8431     -62.4203     
1 1 1 17 11 23 o 0 91.4   11.8  ?    ?   464.223  -89.7263     224.003    -89.7263     18.8719     90.2737      
1 1 1 17 11 24 o 0 379.6  31.1  ?    ?   972.702  -47.5758     439.421    -47.5758     88.3622     132.424      
1 1 1 17 11 25 o 0 12.8   7.5   ?    ?   190.781  47.2188      25.0566    47.2188      102.231     -132.781     
1 1 1 17 11 26 f 1 15.7   7.7   ?    ?   146.847  -44.0253     69.3624    -44.0253     29.3614     135.975      
1 1 1 17 11 27 o 0 47.4   10.1  ?    ?   315.624  27.9652      178.643    27.9652      32.3812     -152.035     
1 1 1 17 11 28 o 0 141.1  17.1  ?    ?   499.573  129.307      359.458    129.307      29.0486     129.307      
1 1 1 17 11 29 o 0 72.2   11.3  ?    ?   260.169  163.619      307.355    163.619      140.934     163.619      
1 1 1 17 11 30 o 0 1.5    10.3  ?    ?   88.3825  -69.7677     19.2764    -69.7677     35.0424     110.232      
1 1 1 17 11 31 o 0 95.5   12.4  ?    ?   374.494  147.703      319.444    147.703      94.7415     147.703      
1 1 1 17 11 32 o 0 3.1    9.9   ?    ?   102.707  18.3753      36.0109    18.3753      21.3834     -161.625     
1 1 1 17 11 33 o 0 2.2    9.8   ?    ?   147.264  -132.603     37.3632    -132.603     36.3506     47.3973      
1 1 1 17 12 0  o 0 -2.6   7.1   ?    ?   85.4087  90           3.13667    90           47.9293     -90          
1 1 1 17 12 1  o 0 95.4   9.3   ?    ?   394.997  83.9491      233.609    83.9491      2.48349     -96.0509     
1 1 1 17 12 2  o 0 241.8  17.8  ?    ?   416.956  159.795      529.67     159.795      280.663     159.795      
1 1 1 17 12 3  o 0 364.8  26    ?    ?   1014.33  -154.833     385.807    -154.833     219.158     25.1673      
1 1 1 17 12 4  o 0 32.8   5.6   ?    ?   119.495  -96.2016     64.4528    -96.2016     6.69271     83.7984      
1 1 1 17 12 5  o 0 9.2    5.1   ?    ?   205.877  -114.875     57.9342    65.1251      180.25      65.1251      
1 1 1 17 12 6  o 0 166.9  15.7  ?    ?   557.327  -34.2208     314.173    -34.2208     19.9351     145.779      
1 1 1 17 12 7  o 0 169.8  14.7  ?    ?   360.614  -140.562     419.937    -140.562     204.36      -140.562     
1 1 1 17 12 8  o 0 199    16.5  ?    ?   637.061  -93.2979     330.648    -93.2979     49.0086     86.7021      
1 1 1 17 12 9  o 0 11.4   6.1   ?    ?   276.23   124.692      62.9838    -55.308      227.046     -55.308      
1 1 1 17 12 10 o 0 209.1  17.8  ?    ?   625.683  -172.838     374.608    -172.838     19.046      7.16229      
1 1 1 17 12 11 o 0 652.7  50    ?    ?   984.854  -73.0517     752.845    -73.0517     129.283     -73.0517     
1 1 1 17 12 12 o 0 2.9    7.5   ?    ?   91.1259  -51.9002     31.0535    128.1        88.507      128.1        
1 1 1 17 12 13 o 0 14.8   6.4   ?    ?   84.3097  -31.3586     2.36729    -31.3586     50.5498     148.641      
1 1 1 17 12 14 f 1 433.8  31.5  ?    ?   809.442  -177.538     600.6      -177.538     96.2832     -177.538     
1 1 1 17 12 15 o 0 760.3  53.9  ?    ?   901.38   -172.505     906.345    -172.505     357.434     -172.505     
1 1 1 17 12 16 o 0 175.4  16.8  ?    ?   621.713  24.6564      309.638    24.6564      66.9181     -155.344     
1 1 1 17 12 17 o 0 70.8   9.6   ?    ?   355.687  -35.1835     194.163    -35.1835     20.0314     144.816      
1 1 1 17 12 18 o 0 30.1   7     ?    ?   253.428  157.761      92.3618    157.761      51.2196     -22.239      
1 1 1 17 12 19 o 0 200.8  16.6  ?    ?   579.794  7.12414      395.186    7.12414      68.8252     7.12414      
1 1 1 17 12 20 o 0 76.8   9.9   ?    ?   296.363  14.8317      258.004    14.8317      98.1667     14.8317      
1 1 1 17 12 21 f 1 18.7   7.4   ?    ?   219.547  18.3203      40.1916    18.3203      77.0519     -161.68      
1 1 1 17 12 22 o 0 42.4   8.5   ?    ?   249.106  -160.959     160.544    -160.959     30.0386     -160.959     
1 1 1 17 12 23 o 0 85.5   11.3  ?    ?   587.397  6.84046      146.382    6.84046      158.834     -173.16      
1 1 1 17 12 24 o 0 100.7  12.1  ?    ?   432.803  -116.101     311.03     -116.101     21.5826     -116.101     
1 1 1 17 12 25 o 0 34.4   8.2   ?    ?   229.465  -144.515     166.659    -144.515     11.5446     -144.515     
1 1 1 17 12 26 o 0 40.8   8.7   ?    ?   262.713  19.8192      179.375    19.8192      3.5044      19.8192      
1 1 1 17 12 27 o 0 0.9    8.5   ?    ?   173.248  171.229      22.0346    -8.7707      137.082     -8.7707      
1 1 1 17 12 28 o 0 64     11    ?    ?   383.127  31.3518      208.727    31.3518      37.4847     -148.648     
1 1 1 17 12 29 o 0 5.6    9     ?    ?   228.784  -112.46      10.3119    67.54        151.66      67.54        
1 1 1 17 12 30 o 0 22.8   10.1  ?    ?   158.1    66.5619      123.511    66.562       28.0896     66.562       
1 1 1 17 12 31 o 0 16.1   9     ?    ?   211.315  -135.901     69.2589    -135.901     49.601      44.0989      
1 1 1 17 12 32 o 0 7.6    9.7   ?    ?   85.7971  135.005      69.0913    135.005      25.8354     135.005      
1 1 1 17 13 0  o 0 13     6.2   ?    ?   158.382  90           31.4863    90           63.3624     -90          
1 1 1 17 13 1  o 0 26     4.8   ?    ?   340.428  -14.5594     8.49421    -14.5594     195.361     165.441      
1 1 1 17 13 2  o 0 184    13.2  ?    ?   376.899  90.7705      441.379    90.7705      215.816     90.7705      
1 1 1 17 13 3  o 0 326.1  23.6  ?    ?   874.84   -143.626     403.103    -143.626     119.905     36.3742      
1 1 1 17 13 4  o 0 71.7   8.3   ?    ?   352.462  152.865      183.27     152.865      27.1266     -27.1348     
1 1 1 17 13 5  o 0 40.7   6.2   ?    ?   243.596  115.336      109.624    115.336      35.5098     -64.6636     
1 1 1 17 13 6  o 0 542.6  38.5  ?    ?   1126.71  121.75       524.258    121.75       145.512     -58.2502     
1 1 1 17 13 7  o 0 447.8  32.2  ?    ?   883.269  103.896      588.731    103.896      31.9459     103.896      
1 1 1 17 13 8  o 0 180.6  14.3  ?    ?   614.322  -40.1976     325.308    -40.1977     60.8065     139.802      
1 1 1 17 13 9  o 0 97.4   11.5  ?    ?   407.18   -162.833     244.031    -162.833     13.6951     17.1672      
1 1 1 17 13 10 o 0 117.8  13.3  ?    ?   363.683  -43.0771     319.389    -43.0771     90.0072     -43.0771     
1 1 1 17 13 11 o 0 182.7  16.4  ?    ?   542.503  -9.59862     365.877    -9.59862     25.0193     -9.59862     
1 1 1 17 13 12 f 1 382.5  30.5  ?    ?   624.996  -159.952     642.047    -159.952     251.98      -159.952     
1 1 1 17 13 13 o 0 134.9  12.2  ?    ?   482.063  117.356      304.338    117.356      10.076      117.356      
1 1 1 17 13 14 o 0 356    26.4  ?    ?   802.586  177.289      506.049    177.289      18.4431     177.289      
1 1 1 17 13 15 o 0 129.4  12.5  ?    ?   591.303  172.046      227.321    172.046      130.113     -7.95359     
1 1 1 17 13 16 o 0 470.7  34.3  ?    ?   1171.19  4.20553      468.417    4.20553      198.139     -175.794     
1 1 1 17 13 17 o 0 50.2   8.1   ?    ?   274.801  -38.5361     171.396    -38.5361     15.8916     -38.5361     
1 1 1 17 13 18 o 0 138.2  14.6  ?    ?   463.601  -50.76       327.771    -50.76       67.0215     -50.76       
1 1 1 17 13 19 o 0 41     9.3   ?    ?   222.976  31.5475      157.265    31.5475      37.0519     31.5475      
1 1 1 17 13 20 o 0 42.1   7.8   ?    ?   237.259  -44.2171     157.201    -44.2171     30.165      -44.2171     
1 1 1 17 13 21 o 0 -1.1   7.5   ?    ?   55.434   57.6963      11.7933    -122.304     40.8498     -122.304     
1 1 1 17 13 22 o 0 -6.4   8.1   ?    ?   70.1579  -13.6268     19.1429    166.373      55.6333     166.373      
1 1 1 17 13 23 o 0 150.5  16.9  ?    ?   665.243  118.675      300.007    118.675      145.545     -61.325      
1 1 1 17 13 24 o 0 170.9  15.9  ?    ?   459.667  -146.768     475.992    -146.768     164.649     -146.768     
1 1 1 17 13 25 o 0 23.6   8.1   ?    ?   238.249  -68.1641     91.323     -68.1641     68.5708     111.836      
1 1 1 17 13 26 o 0 39.8   8.8   ?    ?   268.173  134.923      171.537    134.923      7.09077     -45.0769     
1 1 1 17 13 27 o 0 46.8   9.6   ?    ?   262.939  -44.8098     209.177    -44.8098     39.5907     -44.8098     
1 1 1 17 13 28 o 0 17.3   9     ?    ?   51.7443  -136.377     69.6041    -136.377     37.5007     -136.377     
1 1 1 17 13 29 o 0 38.6   10.9  ?    ?   273.73   -42.7473     159.069    -42.7473     8.83802     137.253      
1 1 1 17 13 30 o 0 4.3    9.7   ?    ?   30.3505  -159.939     15.5497    -159.939     2.6378      20.0611      
1 1 1 17 13 31 o 0 28.3   9     ?    ?   196.508  -36.3059     149.317    -36.3059     39.5723     -36.3059     
1 1 1 17 13 32 o 0 22     10.1  ?    ?   267.22   -108.032     84.1784    -108.032     49.589      71.9678      
1 1 1 17 14 0  o 0 -11.2  6.2   ?    ?   76.6078  90           1.43512    90           46.8443     -90          
1 1 1 17 14 1  o 0 86.2   8.1   ?    ?   418.353  -33.7603     206.373    -33.7603     57.3324     146.24       
1 1 1 17 14 2  o 0 87.4   8.2   ?    ?   330.255  -114.608     252.925    -114.608     44.8202     -114.608     
1 1 1 17 14 3  o 0 218.9  16.7  ?    ?   717.046  76.2595      339.996    76.2595      111.473     -103.74      
1 1 1 17 14 4  o 0 42.4   6.5   ?    ?   440.836  64.885       39.7848    64.885       237.425     -115.115     
1 1 1 17 14 5  o 0 24.3   5.8   ?    ?   280.381  33.6682      21.8137    33.6682      154.202     -146.332     
1 1 1 17 14 6  o 0 471.3  34    ?    ?   929.178  -7.73018     582.214    -7.73018     5.90745     172.27       
1 1 1 17 14 7  o 0 135.8  13    ?    ?   420.25   118.517      334.513    118.517      69.1604     118.517      
1 1 1 17 14 8  o 0 187.5  16.2  ?    ?   678.873  116.995      296.496    116.995      130.972     -63.0052     
1 1 1 17 14 9  o 0 6.2    6.4   ?    ?   80.4811  136.399      23.3178    -43.6009     73.8381     -43.6009     
1 1 1 17 14 10 o 0 27.3   7.7   ?    ?   401.384  73.8979      10.5322    -106.102     261.636     -106.102     
1 1 1 17 14 11 o 0 417.6  40    ?    ?   670.064  -41.6863     653.715    -41.6863     236.081     -41.6863     
1 1 1 17 14 12 o 0 83.5   8.3   ?    ?   374.403  -132.598     227.006    -132.598     0.734536    47.402       
1 1 1 17 14 13 o 0 34.9   6.2   ?    ?   353.031  137.476      61.7101    137.476      152.1       -42.5244     
1 1 1 17 14 14 o 0 -3.4   5.9   ?    ?   147.756  -72.7133     65.9767    107.287      155.047     107.287      
1 1 1 17 14 15 o 0 320.6  24.6  ?    ?   524.371  -132.8       624.045    -132.8       326.316     -132.8       
1 1 1 17 14 16 o 0 32.8   7.8   ?    ?   323.02   66.2171      78.1809    66.2171      104.248     -113.783     
1 1 1 17 14 17 o 0 53.2   8.3   ?    ?   186.636  178.006      214.785    178.006      113.67      178.006      
1 1 1 17 14 18 f 1 63.7   9.3   ?    ?   499.566  12.2264      123.904    12.2264      144.418     -167.774     
1 1 1 17 14 19 o 0 130.4  13.1  ?    ?   520.492  -139.954     288.789    -139.954     10.3111     -139.954     
1 1 1 17 14 20 o 0 122.9  12.9  ?    ?   454.78   -150.76      307.582    -150.76      69.2798     -150.76      
1 1 1 17 14 21 o 0 29     8.3   ?    ?   189.051  113.258      114.644    113.258      16.3028     113.258      
1 1 1 17 14 22 f 1 83.4   14.2  ?    ?   137.047  -91.8799     392.962    -91.8799     301.356     -91.8799     
1 1 1 17 14 23 f 1 29.1   8.4   ?    ?   117.407  91.9386      169.458    91.9386      90.0552     91.9386      
1 1 1 17 14 24 o 0 151.7  14.2  ?    ?   555.822  34.893       365.588    34.893       8.02467     -145.107     
1 1 1 17 14 25 o 0 4.4    7.3   ?    ?   81.3631  94.3524      6.27752    94.3524      48.0317     -85.6476     
1 1 1 17 14 26 o 0 7      7.7   ?    ?   179.311  -159.182     7.85921    -159.182     108.096     20.8178      
1 1 1 17 14 27 o 0 82.8   13.3  ?    ?   397.894  108.631      259.145    108.631      4.46475     108.631      
1 1 1 17 14 28 o 0 85.6   13.8  ?    ?   257.152  -111.22      349.159    -111.22      190.826     -111.22      
1 1 1 17 14 29 o 0 36     10.3  ?    ?   196.929  -95.6702     188.374    -95.6702     69.8493     -95.6702     
1 1 1 17 14 30 o 0 20     10.1  ?    ?   157.049  -170.119     108.786    -170.119     20.6424     -170.119     
1 1 1 17 14 31 o 0 4.3    10.4  ?    ?   112.738  26.7101      55.491     26.7101      1.26042     -153.29      
1 1 1 17 15 0  f 1 8.6    7.7   ?    ?   197.062  90           26.0949    90           97.7261     -90          
1 1 1 17 15 1  o 0 148    11.9  ?    ?   590.817  166.16       266.112    166.16       106.251     -13.8399     
1 1 1 17 15 2  o 0 151.8  12.2  ?    ?   167.529  -165.941     466.481    -165.941     360.902     -165.941     
1 1 1 17 15 3  o 0 299.1  22    ?    ?   602.814  -7.07241     537.59     -7.07241     157.902     -7.07241     
1 1 1 17 15 4  o 0 63.8   7.6   ?    ?   460.18   -87.1977     111.535    -87.1977     178.018     92.8023      
1 1 1 17 15 5  o 0 83.6   9.3   ?    ?   468.643  -95.0534     169.764    -95.0534     124.686     84.9466      
1 1 1 17 15 7  o 0 53.2   7.5   ?    ?   302.249  -45.7999     151.296    -45.7999     37.8345     134.2        
1 1 1 17 15 8  o 0 243.5  18.8  ?    ?   589.473  116.267      449.162    116.267      81.2577     116.267      
1 1 1 17 15 9  o 0 80.4   10.1  ?    ?   291.739  -16.119      256.697    -16.119      78.8024     -16.119      
1 1 1 17 15 10 o 0 61.3   8     ?    ?   486.455  134.585      96.7127    134.585      198.945     -45.4152     
1 1 1 17 15 11 o 0 307.4  23.2  ?    ?   284.384  -48.2176     716.323    -48.2176     544.101     -48.2176     
1 1 1 17 15 12 o 0 82.9   8.4   ?    ?   302.436  -8.7349      257.244    -8.7349      74.8075     -8.7349      
1 1 1 17 15 13 f 1 24.2   6.3   ?    ?   152.705  -38.4118     78.1531    -38.4118     8.44786     141.588      
1 1 1 17 15 14 f 1 135.6  12.1  ?    ?   501.127  42.9662      307.775    42.9662      24.8816     42.9662      
1 1 1 17 15 15 o 0 30     6.5   ?    ?   60.2642  -22.4231     64.4558    -22.4231     30.5162     -22.4231     
1 1 1 17 15 16 o 0 244.2  19.1  ?    ?   713.574  -154.464     413.094    -154.464     27.4279     -154.464     
1 1 1 17 15 17 o 0 21.3   6.5   ?    ?   257.325  -128.497     51.7031    -128.497     86.588      51.5025      
1 1 1 17 15 18 o 0 30.7   6.7   ?    ?   202.271  86.9063      124.377    86.9063      17.827      86.9063      
1 1 1 17 15 19 o 0 99     11.2  ?    ?   310.633  -36.983      314.463    -36.983      151.883     -36.983      
1 1 1 17 15 20 o 0 113.4  13    ?    ?   456.866  128.315      272.728    128.315      24.2815     128.315      
1 1 1 17 15 21 o 0 9.9    7.5   ?    ?   63.6186  111.164      15.4343    111.164      27.188      -68.8355     
1 1 1 17 15 22 f 1 14.1   8.9   ?    ?   145.133  130.013      57.9106    130.013      40.2619     -49.9875     
1 1 1 17 15 23 o 0 108.2  14.2  ?    ?   332.281  -83.2804     385.249    -83.2804     161.748     -83.2804     
1 1 1 17 15 24 o 0 50.5   9.1   ?    ?   341.76   52.4607      178.835    52.4607      49.5523     -127.539     
1 1 1 17 15 25 o 0 8.1    7.4   ?    ?   155.152  31.4103      21.8742    31.4103      78.6262     -148.59      
1 1 1 17 15 26 o 0 18.1   7.4   ?    ?   156.045  -108.499     93.6755    -108.499     6.42538     71.5011      
1 1 1 17 15 27 o 0 26.8   8.4   ?    ?   176.372  -135.782     146.232    -135.782     37.3375     -135.782     
1 1 1 17 15 28 o 0 13.6   9.1   ?    ?   154.18   24.1533      69.3317    24.1533      23.7723     -155.847     
1 1 1 17 15 29 o 0 107.7  15.4  ?    ?   369.612  45.1721      357.071    45.1721      148.815     45.1721      
1 1 1 17 15 30 o 0 0.7    12.1  ?    ?   107.516  -115.013     52.97      -115.013     1.39662     64.9866      
1 1 1 17 16 0  o 0 26.1   7.8   ?    ?   157.443  90           78.2224    90           19.8604     -90          
1 1 1 17 16 1  o 0 65.5   7     ?    ?   432.426  176.316      131.358    176.316      138.231     -3.68437     
1 1 1 17 16 2  o 0 224.3  16.1  ?    ?   775.032  15.227       306.316    15.227       176.964     -164.773     
1 1 1 17 16 3  o 0 351.3  33.8  ?    ?   767.416  -70.6625     508.015    -70.6625     29.6299     -70.6625     
1 1 1 17 16 4  o 0 92.9   9.7   ?    ?   543.832  -129.484     152.96     -129.484     185.785     50.5164      
1 1 1 17 16 5  o 0 200.4  16.4  ?    ?   533.395  -111.323     411.922    -111.323     86.7618     -111.323     
1 1 1 17 16 6  o 0 128.5  11.7  ?    ?   590.721  -156.528     227.466    -156.528     132.051     23.472       
1 1 1 17 16 7  o 0 1135.8 79.5  ?    ?   1402.21  101.35       919.776    101.35       68.1175     101.35       
1 1 1 17 16 8  o 0 74.6   9.5   ?    ?   416.433  -11.1353     177.002    -11.1353     75.3161     168.865      
1 1 1 17 16 9  o 0 50.2   7.3   ?    ?   283.578  75.1294      156.235    75.1294      15.1087     -104.871     
1 1 1 17 16 10 o 0 67.9   8.1   ?    ?   290.482  -173.432     215.236    -173.432     40.2698     -173.432     
1 1 1 17 16 11 o 0 622.7  48.3  ?    ?   947.5    148.078      754.893    148.078      216.543     148.078      
1 1 1 17 16 12 o 0 44.6   7     ?    ?   279.404  30.3682      148.248    30.3682      9.89752     -149.632     
1 1 1 17 16 13 o 0 27.5   6.1   ?    ?   235.232  -74.7028     84.2263    -74.7028     48.3625     105.297      
1 1 1 17 16 14 o 0 14.6   6     ?    ?   246.172  123.862      8.42301    123.862      124.839     -56.1375     
1 1 1 17 16 15 o 0 55.7   7.3   ?    ?   246.831  108.258      208.495    108.258      75.5267     108.258      
1 1 1 17 16 16 o 0 76.5   9.9   ?    ?   435.039  -114.788     192.756    -114.788     40.3716     65.2119      
1 1 1 17 16 17 o 0 54.6   8.7   ?    ?   340.69   0.763508     170.847    0.763508     8.17781     -179.236     
1 1 1 17 16 18 o 0 67.5   8.2   ?    ?   350.429  -142.146     208.675    -142.146     25.6387     -142.146     
1 1 1 17 16 19 o 0 59.2   8.5   ?    ?   296.942  25.0848      200.258    25.0848      39.0385     25.0848      
1 1 1 17 16 20 o 0 17.6   7     ?    ?   249.864  -152.779     40.6535    -152.779     126.552     27.2208      
1 1 1 17 16 21 o 0 11.9   7.2   ?    ?   178.037  148.044      31.8786    148.044      88.7755     -31.9565     
1 1 1 17 16 22 o 0 34.5   9.7   ?    ?   76.5576  -81.3558     176.57     -81.3558     125.088     -81.3558     
1 1 1 17 16 23 o 0 76.2   10.7  ?    ?   324.96   -28.7884     287.914    -28.7884     70.7031     -28.7884     
1 1 1 17 16 24 o 0 48.2   9     ?    ?   179.403  -86.7064     259.483    -86.7064     143.19      -86.7064     
1 1 1 17 16 25 o 0 27.9   8     ?    ?   313.328  138.362      85.8275    138.362      115.417     -41.6382     
1 1 1 17 16 26 o 0 14.9   9.6   ?    ?   80.615   -117.448     73.6566    -117.448     23.7955     -117.448     
1 1 1 17 16 27 o 0 5.8    9.3   ?    ?   126.161  -122.983     34.6201    -122.983     41.7406     57.0174      
1 1 1 17 16 28 o 0 131.6  14.5  ?    ?   490.39   -18.0202     363.842    -18.0202     86.7397     -18.0202     
1 1 1 17 16 29 o 0 3      10.9  ?    ?   179.571  55.6723      35.5075    55.6723      55.608      -124.328     
1 1 1 17 17 0  o 0 41.5   9.1   ?    ?   196.023  -90          142.782    -90          24.5076     -90          
1 1 1 17 17 1  o 0 122.3  11.3  ?    ?   462.086  -84.5072     282.14     -84.5072     3.04712     -84.5072     
1 1 1 17 17 2  o 0 548.2  39.1  ?    ?   1130.92  12.7089      548.25     12.7089      135.127     -167.291     
1 1 1 17 17 3  o 0 203    17.6  ?    ?   501.784  169.831      429.916    169.831      126.72      169.831      
1 1 1 17 17 4  o 0 28     7.2   ?    ?   304.68   109.402      48.853     109.402      135.147     -70.5981     
1 1 1 17 17 5  o 0 170.1  13.8  ?    ?   477.191  136.807      379.287    136.807      91.3918     136.807      
1 1 1 17 17 6  o 0 299.3  24.2  ?    ?   778.731  139.512      431.904    139.512      37.2437     -40.4884     
1 1 1 17 17 7  o 0 104.8  10.4  ?    ?   324.795  -37.8665     306.324    -37.8665     111.01      -37.8665     
1 1 1 17 17 8  o 0 18     6     ?    ?   326.302  8.99176      6.66607    -171.008     191.99      -171.008     
1 1 1 17 17 9  o 0 112.1  11.9  ?    ?   407.571  -173.233     298.179    -173.233     67.3038     -173.233     
1 1 1 17 17 10 o 0 228.1  19.8  ?    ?   624.996  30.8255      421.048    30.8255      68.0665     30.8255      
1 1 1 17 17 11 o 0 66.5   7.7   ?    ?   509.398  88.6147      117.564    88.6147      169.166     -91.3853     
1 1 1 17 17 12 o 0 3.2    5.9   ?    ?   98.6656  110.029      22.4272    -69.9708     75.8087     -69.9708     
1 1 1 17 17 13 o 0 7      5.7   ?    ?   114.048  -77.9634     12.981     102.037      74.4334     102.037      
1 1 1 17 17 14 o 0 11.3   7.1   ?    ?   127.207  97.3044      7.75102    97.3044      60.4872     -82.6956     
1 1 1 17 17 15 o 0 35.5   7.9   ?    ?   229.595  0.686592     138.687    0.686592     17.8182     0.686592     
1 1 1 17 17 16 o 0 14.7   6     ?    ?   258.993  -23.7375     12.1456    -23.7375     123.492     156.263      
1 1 1 17 17 17 o 0 24.8   6.1   ?    ?   281.166  124.815      68.5508    124.815      84.6376     -55.1847     
1 1 1 17 17 18 o 0 19.7   6.3   ?    ?   187.029  -88.8972     88.3583    -88.8972     37.3443     91.1028      
1 1 1 17 17 19 o 0 1.3    6.3   ?    ?   114.2    132.606      28.783     -47.3941     105.046     -47.3941     
1 1 1 17 17 20 o 0 164.6  14.8  ?    ?   464.577  36.4201      458.926    36.4201      144.597     36.4201      
1 1 1 17 17 21 o 0 5.4    7.4   ?    ?   173.107  -117.67      6.83648    62.33        123.364     62.33        
1 1 1 17 17 22 o 0 34.2   6.9   ?    ?   222.794  -13.1202     170.948    -13.1202     22.1324     -13.1202     
1 1 1 17 17 23 o 0 63.9   9.5   ?    ?   350.197  -177.39      232.575    -177.39      5.61885     -177.39      
1 1 1 17 17 24 o 0 4.5    6.8   ?    ?   208.583  -157.919     18.2813    22.0807      148.589     22.0807      
1 1 1 17 17 25 o 0 3.9    8     ?    ?   140.042  -140.788     9.52818    -140.788     77.1572     39.2121      
1 1 1 17 17 26 o 0 11.1   9.2   ?    ?   121.641  23.5848      62.5284    23.5848      11.1926     -156.415     
1 1 1 17 17 27 o 0 33.6   10.1  ?    ?   219.747  -143.83      167.881    -143.83      43.4801     -143.83      
1 1 1 17 17 28 o 0 19.6   10.5  ?    ?   153.258  42.823       119.285    42.823       41.334      42.823       
1 1 1 17 18 0  o 0 10.8   7.6   ?    ?   6.0972   90           1.28887    90           2.15141     -90          
1 1 1 17 18 1  o 0 48.3   7     ?    ?   285.857  -165.742     160.118    -165.742     1.38067     14.2584      
1 1 1 17 18 2  f 1 371.5  27.1  ?    ?   970.93   104.868      452.487    104.868      95.0435     -75.1317     
1 1 1 17 18 3  f 1 108.5  10.6  ?    ?   340.504  -12.7104     321.272    -12.7104     129.215     -12.7104     
1 1 1 17 18 4  o 0 17.4   6.9   ?    ?   210.578  -61.1857     26.5816    -61.1857     92.4637     118.814      
1 1 1 17 18 5  o 0 25.4   6.3   ?    ?   366.408  74.3594      22.7956    74.3594      184.187     -105.641     
1 1 1 17 18 6  o 0 164.3  15.8  ?    ?   428.673  -138.915     403.261    -138.915     161.399     -138.915     
1 1 1 17 18 7  o 0 136.6  14.7  ?    ?   303.553  -172.951     400.889    -172.951     229.903     -172.951     
1 1 1 17 18 8  f 1 12.3   6     ?    ?   238.091  104.009      15.5526    -75.9911     149.045     -75.9911     
1 1 1 17 18 9  o 0 14.4   6.2   ?    ?   126.609  -56.8951     25.7295    -56.8951     42.7648     123.105      
1 1 1 17 18 10 o 0 119.9  11.5  ?    ?   311.716  11.799       366.503    11.799       198.347     11.799       
1 1 1 17 18 11 o 0 80.1   8.4   ?    ?   375.159  -16.4569     233.749    -16.4569     32.0228     -16.4569     
1 1 1 17 18 12 o 0 69.4   8.9   ?    ?   358.686  75.1874      206.919    75.1874      14.7462     75.1874      
1 1 1 17 18 13 o 0 6.9    7     ?    ?   211.747  19.4478      23.5575    -160.552     134.986     -160.552     
1 1 1 17 18 14 o 0 154    12.9  ?    ?   675.096  83.7081      267.955    83.7081      85.7499     -96.2919     
1 1 1 17 18 15 o 0 113.4  10.7  ?    ?   575.902  -50.2221     225.914    -50.2221     74.3849     129.778      
1 1 1 17 18 16 o 0 116.4  10.6  ?    ?   556.405  -122.296     230.419    -122.296     71.5481     57.7044      
1 1 1 17 18 17 o 0 109.8  10.5  ?    ?   473.012  152.748      316.744    152.748      0.0690045   -27.2523     
1 1 1 17 18 18 o 0 46.6   7     ?    ?   247.973  55.0346      221.362    55.0346      52.9419     55.0346      
1 1 1 17 18 19 o 0 66.9   8.6   ?    ?   186.228  -79.5295     333.191    -79.5295     207.514     -79.5295     
1 1 1 17 18 20 f 1 73.2   9.6   ?    ?   316.63   -28.1562     285.923    -28.1562     73.7804     -28.1562     
1 1 1 17 18 21 o 0 32.7   7.6   ?    ?   316.441  -67.2728     108.852    -67.2728     102.166     112.727      
1 1 1 17 18 22 o 0 -4.8   6.1   ?    ?   90.8382  154.946      25.3747    -25.0537     84.1759     -25.0537     
1 1 1 17 18 23 o 0 137    12.8  ?    ?   448.448  -74.0849     399.863    -74.0849     119.899     -74.0849     
1 1 1 17 18 24 o 0 -14.7  8.2   ?    ?   127.402  93.5974      37.06      -86.4026     115.906     -86.4026     
1 1 1 17 18 25 o 0 21.9   7.4   ?    ?   149.547  118.492      131.833    118.492      41.1704     118.492      
1 1 1 17 18 26 o 0 1.5    8     ?    ?   65.8852  -55.5666     20.4511    -55.5666     16.8785     124.433      
1 1 1 17 18 27 o 0 29     10.9  ?    ?   194.157  94.194       155.989    94.194       57.0996     94.194       
1 1 1 17 19 0  o 0 3.7    8     ?    ?   126.495  90           12.7924    90           57.679      -90          
1 1 1 17 19 1  o 0 156.9  13.2  ?    ?   517.072  2.22051      339.629    2.22051      51.1153     2.22051      
1 1 1 17 19 2  o 0 331.7  24.7  ?    ?   590.73   -1.12576     593.948    -1.12576     264.008     -1.12576     
1 1 1 17 19 3  o 0 2.9    7.1   ?    ?   248.116  83.0267      70.2376    -96.9733     208.881     -96.9733     
1 1 1 17 19 4  o 0 3.4    6.6   ?    ?   114.411  -36.7662     23.0244    143.234      84.7005     143.234      
1 1 1 17 19 5  f 1 15.6   8.4   ?    ?   249.296  58.1135      13.2296    58.1135      120.741     -121.887     
1 1 1 17 19 6  o 0 11.8   6.2   ?    ?   135.158  32.1224      10.0525    32.1224      62.6951     -147.878     
1 1 1 17 19 7  o 0 187    17    ?    ?   570.113  -166.154     382.533    -166.154     76.117      -166.154     
1 1 1 17 19 8  o 0 30.8   6.3   ?    ?   189.979  -14.3876     118.721    -14.3876     16.8062     -14.3876     
1 1 1 17 19 9  o 0 -1.9   6.3   ?    ?   5.03299  -103.029     1.57318    76.9705      4.26696     76.9705      
1 1 1 17 19 10 o 0 105.7  12.3  ?    ?   452.719  -121.505     268.383    -121.505     30.0823     -121.505     
1 1 1 17 19 11 o 0 629.6  48.6  ?    ?   1150.53  -16.7876     652.275    -16.7876     48.5381     -16.7876     
1 1 1 17 19 12 o 0 37.8   6.5   ?    ?   120.254  -158.806     155.885    -158.806     93.0023     -158.806     
1 1 1 17 19 13 o 0 3.3    5.7   ?    ?   57.6187  163.213      8.45761    -16.7874     39.8556     -16.7874     
1 1 1 17 19 14 o 0 -3.3   5.8   ?    ?   59.2584  -152.622     22.8782    27.3777      62.7807     27.3777      
1 1 1 17 19 15 o 0 129.8  11.4  ?    ?   424.683  13.2026      404.133    13.2026      119.508     13.2026      
1 1 1 17 19 16 o 0 28.1   7     ?    ?   287.938  -13.8443     101.734    -13.8443     94.1247     166.156      
1 1 1 17 19 17 o 0 1.2    5.5   ?    ?   72.7407  -117.75      15.5492    62.2501      64.7559     62.2501      
1 1 1 17 19 18 o 0 -1.6   5.8   ?    ?   122.518  -7.2856      35.0319    172.714      117.601     172.714      
1 1 1 17 19 19 o 0 22.6   7     ?    ?   233.655  108.875      96.0104    108.875      60.4572     -71.1248     
1 1 1 17 19 20 o 0 1      6.2   ?    ?   110.613  -101.419     12.9188    78.5812      84.8882     78.5812      
1 1 1 17 19 21 o 0 13.1   6.4   ?    ?   175.395  54.0368      51.3434    54.0368      61.9477     -125.963     
1 1 1 17 19 22 o 0 3.5    6.5   ?    ?   96.8968  128.802      6.68197    128.801      53.7085     -51.1985     
1 1 1 17 19 23 o 0 6      6.6   ?    ?   189.475  37.661       3.39763    37.661       112.398     -142.339     
1 1 1 17 19 24 o 0 45.3   7.9   ?    ?   238.706  168.618      221.367    168.618      76.7524     168.618      
1 1 1 17 19 25 o 0 -0.6   7     ?    ?   45.9779  84.3928      7.44775    84.3928      18.5981     -95.6072     
1 1 1 17 19 26 o 0 16.7   9.9   ?    ?   96.2833  -162.3       115.71     -162.3       66.6531     -162.3       
1 1 1 17 20 0  o 0 2      8.2   ?    ?   24.8523  90           2.41553    90           10.7658     -90          
1 1 1 17 20 1  o 0 1.4    6.2   ?    ?   86.7595  28.3081      22.1848    -151.692     68.2847     -151.692     
1 1 1 17 20 2  o 0 258.1  21.8  ?    ?   588.259  -38.5298     489.164    -38.5298     176.2       -38.5298     
1 1 1 17 20 3  f 1 44.8   8     ?    ?   273.417  163.965      155.396    163.965      10.2047     163.965      
1 1 1 17 20 4  o 0 1.9    6.3   ?    ?   114.086  61.9034      28.2467    -118.097     88.9966     -118.097     
1 1 1 17 20 5  o 0 98.7   11.1  ?    ?   440.218  -67.2981     256.324    -67.2981     25.2342     -67.2981     
1 1 1 17 20 6  o 0 56.3   8.7   ?    ?   257.486  138.879      210.061    138.879      75.0016     138.879      
1 1 1 17 20 7  o 0 212.6  22.6  ?    ?   643.999  56.7123      388.31     56.7123      50.9356     56.7123      
1 1 1 17 20 8  o 0 17.7   7.4   ?    ?   313.204  -102.123     10.4155    -102.123     153.386     77.8766      
1 1 1 17 20 9  o 0 3.7    6     ?    ?   149.514  142.327      27.7796    -37.6735     105.807     -37.6735     
1 1 1 17 20 10 o 0 56.2   7.4   ?    ?   476.376  -140.438     104.949    -140.438     154.475     39.5617      
1 1 1 17 20 11 o 0 12.2   5.7   ?    ?   53.8096  51.0984      18.1814    51.0984      11.0351     -128.902     
1 1 1 17 20 12 o 0 28.1   6.3   ?    ?   191.064  -35.6746     144.22     -35.6746     15.9123     -35.6746     
1 1 1 17 20 13 o 0 5.8    5.8   ?    ?   149.373  133.04       19.4384    -46.9602     119.369     -46.9602     
1 1 1 17 20 14 o 0 18.3   5.9   ?    ?   211.629  -87.6656     73.1986    -87.6656     70.6232     92.3344      
1 1 1 17 20 15 o 0 314.9  22.7  ?    ?   519.621  -110.005     722.283    -110.005     370.783     -110.005     
1 1 1 17 20 16 o 0 60.6   7.6   ?    ?   272.896  65.3858      266.985    65.3858      82.909      65.3858      
1 1 1 17 20 17 o 0 66.5   8.1   ?    ?   301.625  -23.2664     271.152    -23.2664     68.8077     -23.2664     
1 1 1 17 20 18 o 0 -0.7   6.4   ?    ?   10.6672  -118.917     1.0654     61.0835      8.02464     61.0835      
1 1 1 17 20 19 o 0 10.1   6.4   ?    ?   80.5277  177.881      40.0521    177.882      12.1514     -2.1185      
1 1 1 17 20 20 o 0 13.6   6.3   ?    ?   16.6624  -118.782     19.6177    -118.782     9.18528     -118.782     
1 1 1 17 20 21 o 0 -2.6   5.9   ?    ?   61.9453  100.545      11.4248    -79.4548     49.928      -79.4548     
1 1 1 17 20 22 o 0 8.6    6     ?    ?   55.657   -1.28356     33.9395    -1.28356     0.000361257 -1.28356     
1 1 1 17 20 23 o 0 13.3   6.2   ?    ?   119.974  -47.8468     88.1436    -47.8468     19.6665     -47.8468     
1 1 1 17 20 24 f 1 18.5   8.1   ?    ?   376.201  -58.7619     2.50305    -58.7619     209.806     121.238      
1 1 1 17 20 25 o 0 8.2    7.6   ?    ?   102.055  59.744       65.7005    59.744       13.7387     59.744       
1 1 1 17 21 0  o 0 -12.3  10.7  ?    ?   33.7506  -90          2.1507     -90          15.2584     90           
1 1 1 17 21 1  o 0 23.8   7.1   ?    ?   309.752  -170.677     51.6338    -170.677     108.474     9.32259      
1 1 1 17 21 2  o 0 87.3   9.3   ?    ?   413.913  -135.003     235.711    -135.003     21.441      -135.003     
1 1 1 17 21 3  o 0 50.3   8.4   ?    ?   494.529  -128.378     82.6101    -128.378     173.637     51.6224      
1 1 1 17 21 4  o 0 15.9   7.2   ?    ?   124.727  155.172      40.5399    155.172      24.1166     -24.8283     
1 1 1 17 21 5  o 0 31     6.9   ?    ?   246.569  -134.063     111.077    -134.063     16.7293     45.9368      
1 1 1 17 21 6  o 0 11.4   6.5   ?    ?   218.311  66.7486      3.79114    66.7486      114.524     -113.251     
1 1 1 17 21 7  o 0 70     9.8   ?    ?   377.199  80.8174      195.87     80.8174      8.3413      -99.1826     
1 1 1 17 21 8  o 0 28.4   6.9   ?    ?   175.878  -72.184      149.508    -72.184      31.5185     -72.184      
1 1 1 17 21 9  o 0 37.9   6.8   ?    ?   138.708  139.743      208.436    139.743      115.565     139.743      
1 1 1 17 21 10 o 0 11.7   5.7   ?    ?   223.277  10.6309      4.09973    10.6309      145.034     -169.369     
1 1 1 17 21 11 o 0 25.1   6.6   ?    ?   267.036  6.90304      95.3424    6.90304      86.0935     -173.097     
1 1 1 17 21 12 o 0 2.1    5.9   ?    ?   89.2364  48.7242      14.2334    -131.276     74.6666     -131.276     
1 1 1 17 21 13 o 0 10.5   5.6   ?    ?   119.934  -30.3463     31.9273    -30.3463     48.9957     149.654      
1 1 1 17 21 14 o 0 66.2   8.1   ?    ?   298.367  117.623      273.029    117.623      72.1007     117.623      
1 1 1 17 21 15 o 0 25.8   7     ?    ?   113.626  -157.97      155.65     -157.97      79.4787     -157.97      
1 1 1 17 21 16 o 0 22.7   6.2   ?    ?   321.443  -113.599     55.1662    -113.599     154.588     66.4008      
1 1 1 17 21 17 o 0 -6.9   5.7   ?    ?   95.1811  31.1837      33.6198    -148.816     95.3934     -148.816     
1 1 1 17 21 18 o 0 -2.5   6.5   ?    ?   122.977  -52.8372     22.5256    127.163      99.6824     127.163      
1 1 1 17 21 19 o 0 0.1    6.8   ?    ?   256.81   126.084      63.9434    -53.9161     224.053     -53.9161     
1 1 1 17 21 20 o 0 11.6   6     ?    ?   78.757   137.543      62.5197    137.543      14.302      137.543      
1 1 1 17 21 21 o 0 10.1   6.1   ?    ?   104.921  -86.8332     52.2166    -86.8332     11.5553     93.1668      
1 1 1 17 21 22 o 0 -0.7   5.9   ?    ?   46.4814  -16.6086     2.72083    -16.6086     23.7361     163.391      
1 1 1 17 21 23 o 0 15.6   6.1   ?    ?   190.287  -96.6446     96.3112    -96.6446     1.25419     83.3554      
1 1 1 17 21 24 o 0 129.9  12.9  ?    ?   408.195  -127.833     423.64     -127.833     216.167     -127.833     
1 1 1 17 22 0  o 0 6.9    8.3   ?    ?   62.4354  -90          14.4926    -90          26.7178     90           
1 1 1 17 22 1  f 1 7.8    5.6   ?    ?   78.7057  -113.65      3.56488    -113.65      48.3725     66.3495      
1 1 1 17 22 2  o 0 277.3  23.5  ?    ?   582.901  173.335      617.2      173.335      230.878     173.335      
1 1 1 17 22 3  o 0 34.3   12.3  ?    ?   157.201  37.396       168.003    37.396       63.6918     37.396       
1 1 1 17 22 4  o 0 4.4    8.3   ?    ?   122.472  32.8082      7.40207    -147.192     88.7222     -147.192     
1 1 1 17 22 5  o 0 -3     6.5   ?    ?   206.551  112.309      78.4305    -67.6913     215.597     -67.6913     
1 1 1 17 22 6  o 0 126.4  16    ?    ?   383.526  75.6503      407.701    75.6503      147.979     75.6503      
1 1 1 17 22 7  o 0 15.5   6.3   ?    ?   183.368  -88.0276     60.286     -88.0275     63.7836     91.9725      
1 1 1 17 22 8  o 0 1.5    6.5   ?    ?   83.9126  1.11382      11.9609    -178.886     68.662      -178.886     
1 1 1 17 22 9  o 0 4      5.9   ?    ?   79.9766  -161.614     5.06379    18.3856      59.0084     18.3856      
1 1 1 17 22 10 o 0 20     5.7   ?    ?   222.897  -123.781     83.9996    -123.781     66.0072     56.219       
1 1 1 17 22 11 o 0 47.7   7.7   ?    ?   265.801  -29.935      214.684    -29.935      35.8933     -29.935      
1 1 1 17 22 12 o 0 47.9   6.8   ?    ?   345.919  -4.63562     169.26     -4.63562     62.6911     175.364      
1 1 1 17 22 13 o 0 18.1   6     ?    ?   100.834  23.3055      97.4982    23.3055      30.1275     23.3055      
1 1 1 17 22 14 f 1 -2.5   5.6   ?    ?   193.864  -12.191      62.7278    167.809      188.606     167.809      
1 1 1 17 22 15 o 0 25     6.2   ?    ?   214.748  -130.611     127.635    -130.611     11.5396     49.3893      
1 1 1 17 22 16 o 0 77.6   8.6   ?    ?   351.424  -118.639     288.801    -118.639     68.4207     -118.639     
1 1 1 17 22 17 o 0 37.9   8     ?    ?   288.735  127.455      160.141    127.455      19.9578     -52.545      
1 1 1 17 22 18 o 0 12.8   6.7   ?    ?   236.753  -69.1072     30.238     -69.1072     114.918     110.893      
1 1 1 17 22 19 o 0 43     8     ?    ?   380.933  165.867      134.196    165.867      97.8973     -14.1335     
1 1 1 17 22 20 o 0 4.5    6.2   ?    ?   66.2086  89.6345      24.1381    89.6345      13.6755     -90.3655     
1 1 1 17 22 21 o 0 4.2    6.1   ?    ?   133.449  28.7093      16.7541    28.7093      58.9133     -151.291     
1 1 1 17 22 22 o 0 8.3    6.1   ?    ?   109.068  -130.614     63.4029    -130.614     7.66649     -130.614     
1 1 1 17 23 0  o 0 -6.3   9.9   ?    ?   56.085   90           7.22293    90           29.9733     -90          
1 1 1 17 23 1  o 0 18.7   6.8   ?    ?   189.817  156.893      81.0514    156.893      45.1642     -23.1074     
1 1 1 17 23 2  o 0 12.7   5.9   ?    ?   242.073  -68.173      11.2049    -68.173      150.081     111.827      
1 1 1 17 23 3  o 0 3.8    6.7   ?    ?   261.841  5.36868      63.703     -174.631     238.411     -174.631     
1 1 1 17 23 4  o 0 9.5    6.9   ?    ?   86.0728  93.2411      25.7236    93.2411      31.7577     -86.7589     
1 1 1 17 23 5  f 1 25.9   8.2   ?    ?   276.502  -29.2739     85.7022    -29.2739     98.5428     150.726      
1 1 1 17 23 6  o 0 135.7  20.3  ?    ?   344.758  37.4643      440.643    37.4643      209.853     37.4643      
1 1 1 17 23 7  o 0 16.3   5.7   ?    ?   145.537  125.365      83.2366    125.365      14.125      -54.6348     
1 1 1 17 23 8  f 1 5.5    6.4   ?    ?   341.679  169.808      97.0399    -10.1922     324.768     -10.1922     
1 1 1 17 23 9  o 0 -5     6     ?    ?   37.9841  -13.8948     12.368     166.105      37.7083     166.105      
1 1 1 17 23 10 o 0 101.5  9.6   ?    ?   283.938  166.601      395.813    166.601      206.786     166.601      
1 1 1 17 23 11 o 0 9.3    5.6   ?    ?   63.3167  100.058      29.9544    100.058      11.1761     -79.9417     
1 1 1 17 23 12 o 0 5.5    5.4   ?    ?   87.4177  -126.932     8.98       -126.932     47.6354     53.0677      
1 1 1 17 23 13 o 0 -4.8   5.7   ?    ?   120.706  -174.799     39.0507    5.20143      116.954     5.20143      
1 1 1 17 23 14 o 0 27.5   6.2   ?    ?   141.051  -66.3448     175.301    -66.3448     87.1264     -66.3448     
1 1 1 17 23 15 o 0 228    17.6  ?    ?   667.711  -136.069     464.757    -136.069     49.1795     -136.069     
1 1 1 17 23 16 o 0 14.9   6     ?    ?   143.463  53.3088      87.9255    53.3088      0.0723887   53.3088      
1 1 1 17 23 17 o 0 0.2    6.2   ?    ?   92.5666  -178.591     2.95009    1.40948      59.3361     1.40948      
1 1 1 17 23 18 o 0 22.2   7.1   ?    ?   212.627  81.639       118.11     81.639       3.42011     -98.361      
1 1 1 17 23 19 f 1 7.6    6.9   ?    ?   88.8697  14.3729      45.2635    14.3729      5.08565     -165.627     
1 1 1 17 23 20 o 0 23.2   6.3   ?    ?   206.414  -160.688     145.887    -160.688     40.1136     -160.688     
1 1 1 17 24 0  o 0 18.2   8.6   ?    ?   130.699  90           83.6346    90           1.8754      -90          
1 1 1 17 24 1  f 1 1.8    6.8   ?    ?   100.6    144.372      8.98436    -35.6279     74.8196     -35.6279     
1 1 1 17 24 2  o 0 103.7  12.1  ?    ?   379.092  -178.516     338.005    -178.516     88.7167     -178.516     
1 1 1 17 24 3  o 0 28.7   6.7   ?    ?   239.272  -45.534      129.975    -45.534      27.6323     134.466      
1 1 1 17 24 4  o 0 8.9    6.7   ?    ?   89.5184  -108.515     26.2551    -108.515     32.7764     71.4851      
1 1 1 17 24 5  o 0 49.4   9.6   ?    ?   302.941  -43.9517     199.092    -43.9517     3.55085     -43.9517     
1 1 1 17 24 6  o 0 107.8  14.3  ?    ?   381.264  5.75391      350.325    5.75391      104.217     5.75391      
1 1 1 17 24 7  o 0 120.1  13    ?    ?   481.65   144.785      328.772    144.785      18.0077     144.785      
1 1 1 17 24 8  o 0 10.9   6.2   ?    ?   137.938  158.318      45.011     158.318      43.902      -21.6823     
1 1 1 17 24 9  f 1 15.2   7.1   ?    ?   252.206  87.6673      31.2027    87.6673      130.713     -92.3327     
1 1 1 17 24 10 o 0 1.6    5.5   ?    ?   122.264  56.5483      13.7536    -123.452     90.1287     -123.452     
1 1 1 17 24 11 o 0 124.1  13.6  ?    ?   325.813  32.23        434.258    32.23        231.221     32.23        
1 1 1 17 24 12 o 0 8.3    5.5   ?    ?   176.643  -136.082     15.7393    -136.082     94.0218     43.9183      
1 1 1 17 24 13 f 1 -0.5   5.4   ?    ?   61.2878  112.517      5.27008    -67.4834     42.699      -67.4834     
1 1 1 17 24 14 o 0 19.4   6.5   ?    ?   175.23   98.4589      109.639    98.4589      2.75787     98.4589      
1 1 1 17 24 15 o 0 7      5.4   ?    ?   116.693  -148.326     26.4994    -148.326     44.3723     31.6736      
1 1 1 17 24 16 o 0 15.7   6.5   ?    ?   203.662  44.0567      76.1037    44.0567      40.0744     -135.943     
1 1 1 17 24 17 o 0 0.3    5.9   ?    ?   90.3447  -75.8938     3.52065    -75.8938     47.7473     104.106      
1 1 1 17 24 18 o 0 26.7   7     ?    ?   160.465  108.116      182.706    108.116      100.474     108.116      
1 1 1 17 25 0  o 0 -4.4   8.1   ?    ?   97.3363  90           12.2302    90           49.0512     -90          
1 1 1 17 25 1  o 0 -1.9   6     ?    ?   63.9694  22.1688      12.3424    -157.831     52.7411     -157.831     
1 1 1 17 25 2  o 0 56.6   7.8   ?    ?   154.414  -145.327     300.585    -145.327     202.824     -145.327     
1 1 1 17 25 3  o 0 4.9    5.9   ?    ?   169.864  -179.271     5.51527    0.728568     110.29      0.728568     
1 1 1 17 25 4  o 0 6.6    8.4   ?    ?   62.7794  -11.8143     25.7685    -11.8143     13.0067     168.186      
1 1 1 17 25 5  o 0 5.1    6.2   ?    ?   269.468  171.851      47.4623    -8.149       214.029     -8.149       
1 1 1 17 25 6  o 0 -5.8   7.2   ?    ?   89.229   19.109       16.725     -160.891     71.8947     -160.891     
1 1 1 17 25 7  o 0 10     5.5   ?    ?   189.066  -20.8675     25.573     -20.8675     91.2945     159.132      
1 1 1 17 25 8  o 0 35.2   6.4   ?    ?   248.843  21.5299      169.638    21.5299      15.9401     21.5299      
1 1 1 17 25 9  o 0 1.1    5.7   ?    ?   47.4304  58.0327      1.42715    58.0327      27.4995     -121.967     
1 1 1 17 25 10 o 0 45.9   7.2   ?    ?   255.619  15.5043      219.504    15.5043      63.8849     15.5043      
1 1 1 17 25 11 o 0 22.5   8.4   ?    ?   215.421  -62.5289     103.76     -62.5289     27.0899     117.471      
1 1 1 17 25 12 o 0 31.5   8.1   ?    ?   169.757  -22.5768     194.009    -22.5768     96.9654     -22.5768     
1 1 1 17 25 13 o 0 7      6.1   ?    ?   99.1472  34.8925      40.3958    34.8925      16.1003     -145.108     
1 1 1 17 25 14 o 0 30.7   6.5   ?    ?   166.897  -36.3496     193.292    -36.3496     98.5432     -36.3496     
1 1 1 17 25 15 o 0 27.6   6.3   ?    ?   208.486  -48.0296     172.657    -48.0296     65.6081     -48.0296     
1 1 1 17 25 16 o 0 34     7     ?    ?   302.488  94.938       161.232    94.938       6.6409      94.938       
1 1 1 17 26 0  o 0 -11.5  8.2   ?    ?   23.973   -90          2.48976    -90          11.7741     90           
1 1 1 17 26 1  o 0 -2.5   5.6   ?    ?   53.5225  -22.1051     7.43388    157.895      39.3859     157.895      
1 1 1 17 26 2  o 0 3.5    5.7   ?    ?   139.009  44.2502      0.238707   44.2502      82.974      -135.75      
1 1 1 17 26 3  o 0 8      6.2   ?    ?   30.8595  -165.787     19.0575    -165.787     0.545014    -165.787     
1 1 1 17 26 4  o 0 25.7   7.7   ?    ?   125.534  67.619       165.438    67.619       90.0124     67.619       
1 1 1 17 26 5  o 0 16.3   11.7  ?    ?   142.546  -165.129     88.0676    -165.129     2.33349     -165.129     
1 1 1 17 26 6  o 0 8.7    9     ?    ?   134.146  121.506      44.9278    121.506      35.7913     -58.4938     
1 1 1 17 26 7  o 0 0.5    9     ?    ?   192.312  -23.9597     12.0025    156.04       127.714     156.04       
1 1 1 17 26 8  o 0 2.9    5.5   ?    ?   184.313  -122.922     9.96268    57.0782      114.56      57.0782      
1 1 1 17 26 9  o 0 -5.4   5.6   ?    ?   18.0316  -161.034     2.38828    18.9663      12.6098     18.9663      
1 1 1 17 26 10 o 0 89.7   9     ?    ?   477.271  179.215      265.167    179.215      4.94714     -0.785179    
1 1 1 17 26 11 o 0 3.3    6.8   ?    ?   31.7014  37.5164      12.1088    37.5164      5.79488     -142.484     
1 1 1 17 26 12 o 0 31.2   7.3   ?    ?   311.785  -8.27422     140.905    -8.27422     18.6027     171.726      
1 1 1 17 26 13 o 0 18.2   6.6   ?    ?   166.064  -104.486     121.487    -104.486     36.7928     -104.486     
1 1 1 17 27 0  o 0 -10.3  8     ?    ?   50.2925  90           5.90038    90           21.8413     -90          
1 1 1 17 27 1  o 0 13.8   5.8   ?    ?   143.92   -142.402     83.8512    -142.402     4.18        -142.402     
1 1 1 17 27 2  o 0 29.9   7.7   ?    ?   174.514  -103.205     177.284    -103.205     80.3904     -103.205     
1 1 1 17 27 3  o 0 44     7.2   ?    ?   243.018  -6.62373     218.992    -6.62373     83.7435     -6.62373     
1 1 1 17 27 4  o 0 0.1    7.8   ?    ?   47.2527  41.6049      12.1875    41.6049      14.1576     -138.395     
1 1 1 17 27 5  o 0 3      7.9   ?    ?   189.781  -23.3769     2.0942     -23.3769     103.846     156.623      
1 1 1 17 27 6  o 0 -0.2   7.3   ?    ?   162.867  140.815      11.0855    140.815      71.543      -39.1855     
1 1 1 17 27 7  o 0 89.8   11.1  ?    ?   273.914  75.0034      378.163    75.0034      239.179     75.0034      
1 1 1 17 27 8  o 0 8.6    5.8   ?    ?   90.489   -72.955      65.8632    -72.955      19.9676     -72.955      
1 1 1 17 27 9  o 0 3.7    6.1   ?    ?   42.1172  -2.32586     25.1694    -2.32586     3.82769     -2.32586     
1 1 1 17 28 0  o 0 -1.5   7.8   ?    ?   72.7102  -90          16.9502    -90          18.8089     90           
1 1 1 17 28 1  o 0 32.6   6.5   ?    ?   232.191  143.685      181.946    143.685      67.3182     143.685      
1 1 1 18 0  0  o 0 1517.9 196.3 ?    ?   1588.56  1.18214e-14  1087.92    0            61.4097     -1.97604e-13 
1 1 1 18 0  1  f 1 290.1  27.1  ?    ?   908.742  -90          485.18     -90          100.126     90           
1 1 1 18 0  2  o 0 8.2    4.5   ?    ?   139.026  180          16.3473    180          73.307      -1.10703e-14 
1 1 1 18 0  3  o 0 0.5    4.8   ?    ?   33.9245  -90          1.1704     -90          20.6643     90           
1 1 1 18 0  4  o 0 19.8   5.3   ?    ?   362.992  180          98.1993    180          134.856     -1.76871e-15 
1 1 1 18 0  5  o 0 560.9  52    ?    ?   818.725  90           667.667    90           143.551     90           
1 1 1 18 0  6  o 0 234.9  26.4  ?    ?   841.505  -2.16468e-16 430.536    0            106.361     180          
1 1 1 18 0  7  o 0 942.2  100.1 ?    ?   1301.24  90           854.416    90           27.2813     90           
1 1 1 18 0  8  o 0 128.9  16.7  ?    ?   825.425  0            316.09     0            206.466     180          
1 1 1 18 0  9  o 0 1148.8 122.1 ?    ?   1153.79  -90          932.687    -90          205.434     -90          
1 1 1 18 0  10 o 0 -0.1   10.1  ?    ?   160.857  180          10.3535    180          90.5657     8.02153e-16  
1 1 1 18 0  11 f 1 -9.8   8.9   ?    ?   91.2425  -90          2.97652    -90          53.7166     90           
1 1 1 18 0  12 o 0 10.8   10.4  ?    ?   484.992  180          55.5446    180          245.009     1.59072e-15  
1 1 1 18 0  13 o 0 40.2   8.9   ?    ?   97.8696  90           71.1219    90           10.8035     90           
1 1 1 18 0  14 o 0 32.7   10.9  ?    ?   82.0595  -1.50505e-15 45.6724    0            4.61085     180          
1 1 1 18 0  15 o 0 35.8   9.7   ?    ?   179.556  -90          106.299    -90          4.32174     90           
1 1 1 18 0  16 o 0 43.5   14    ?    ?   57.6396  -3.41289e-15 46.6869    0            11.4023     1.05612e-14  
1 1 1 18 0  17 o 0 61.6   12.2  ?    ?   215.846  90           190.386    90           50.8421     90           
1 1 1 18 0  18 o 0 23.2   10.9  ?    ?   70.0687  180          30.2377    180          15.2069     1.14539e-14  
1 1 1 18 0  19 o 0 15.1   11.1  ?    ?   66.1546  -90          16.3037    -90          26.2845     90           
1 1 1 18 0  20 o 0 -12.8  11.3  ?    ?   405.824  180          20.5426    180          233.46      6.17415e-16  
1 1 1 18 0  21 o 0 59.4   12.5  ?    ?   342.695  -90          205.136    -90          7.59216     90           
1 1 1 18 0  22 o 0 149.8  19.6  ?    ?   552.113  0            329.983    0            8.36826     0            
1 1 1 18 0  23 o 0 10.9   10.8  ?    ?   141.037  -90          28.9611    -90          52.4475     90           
1 1 1 18 0  24 o 0 143.2  28.4  ?    ?   555.157  -2.11672e-17 310.295    0            4.1009      1.58045e-15  
1 1 1 18 0  25 o 0 112.2  21.9  ?    ?   602.079  -90          272.295    -90          56.4331     90           
1 1 1 18 0  26 o 0 52.2   18.4  ?    ?   347.595  180          170.569    180          14.5994     8.19785e-14  
1 1 1 18 0  27 o 0 49.1   13.3  ?    ?   288.72   90           171.772    90           12.6544     90           
1 1 1 18 0  28 o 0 -29.3  17.6  ?    ?   43.1266  180          6.36105    180          23.3776     1.90925e-15  
1 1 1 18 0  29 o 0 -0.3   12.1  ?    ?   200.431  90           38.4184    90           98.1012     -90          
1 1 1 18 0  30 o 0 -8.9   12.3  ?    ?   2.92623  180          0.489344   180          1.4826      2.31593e-15  
1 1 1 18 0  31 o 0 103.7  17.8  ?    ?   367.584  -90          301.482    -90          62.4047     -90          
1 1 1 18 0  32 o 0 44.3   14.2  ?    ?   270.144  -180         180.943    180          12.482      180          
1 1 1 18 0  33 o 0 22.6   18.4  ?    ?   169.887  90           95.4652    90           7.7458      -90          
1 1 1 18 0  34 o 0 -4.1   13.4  ?    ?   37.1846  180          11.1581    180          9.83668     2.19219e-15  
1 1 1 18 0  35 o 0 5.1    13.6  ?    ?   203.358  90           58.6423    90           43.9841     -90          
1 1 1 18 1  0  o 0 813.9  74.7  ?    ?   1004.03  -180         807.155    180          161.212     180          
1 1 1 18 1  1  o 0 28.4   4     ?    ?   468.774  76.3967      45.4601    -103.603     346.804     -103.603     
1 1 1 18 1  2  o 0 141.4  10.5  ?    ?   446.436  47.6622      342.829    47.6622      56.2563     47.6622      
1 1 1 18 1  3  o 0 94.8   7.2   ?    ?   516.453  22.6118      181.425    22.6118      149.429     -157.388     
1 1 1 18 1  4  o 0 176.1  12.2  ?    ?   500.153  1.10679      390.309    1.10679      70.6993     1.10679      
1 1 1 18 1  5  o 0 437.4  29    ?    ?   1098.7   -92.4521     460.068    -92.4521     239.954     87.5479      
1 1 1 18 1  6  o 0 45.6   5.7   ?    ?   140.933  -56.3863     121.648    -56.3863     32.1543     -56.3863     
1 1 1 18 1  7  o 0 30.8   6.1   ?    ?   228.102  -18.2203     60.8327    -18.2203     83.4782     161.78       
1 1 1 18 1  8  o 0 486.4  40.8  ?    ?   1007.84  32.547       570.945    32.547       64.1156     -147.453     
1 1 1 18 1  9  o 0 817.2  68    ?    ?   1209.24  -119.214     800.293    -119.214     41.6059     -119.214     
1 1 1 18 1  10 o 0 476.5  39.9  ?    ?   954.375  -157.333     584.676    -157.333     11.3701     22.667       
1 1 1 18 1  11 o 0 15.1   6.4   ?    ?   193.14   57.9249      21.0197    -122.075     140.801     -122.075     
1 1 1 18 1  12 o 0 82.6   9.5   ?    ?   485.166  -77.7903     157.766    -77.7903     141.589     102.21       
1 1 1 18 1  13 o 0 151.6  12.7  ?    ?   530.789  103.75       308.488    103.75       17.2612     -76.2495     
1 1 1 18 1  14 o 0 73     8.2   ?    ?   377.77   127.455      179.736    127.455      50.7969     -52.5447     
1 1 1 18 1  15 o 0 162.5  13.7  ?    ?   529.538  -68.6456     328.128    -68.6456     3.18762     -68.6456     
1 1 1 18 1  16 o 0 14.8   6.5   ?    ?   380.298  38.557       88.6519    -141.443     335.22      -141.443     
1 1 1 18 1  17 o 0 237    19.9  ?    ?   645.45   113.949      423.908    113.949      8.16553     113.949      
1 1 1 18 1  18 o 0 417.3  32.7  ?    ?   1184.95  -170.962     360.868    -170.962     404.946     9.03791      
1 1 1 18 1  19 o 0 66.2   9.9   ?    ?   246.709  -52.3671     223.378    -52.3671     65.0903     -52.3671     
1 1 1 18 1  20 o 0 363.2  29.1  ?    ?   732.392  -174.733     570.82     -174.733     113.894     -174.733     
1 1 1 18 1  21 f 1 361.9  29    ?    ?   767.268  -29.3265     544.432    -29.3265     70.8217     -29.3265     
1 1 1 18 1  22 o 0 38     9     ?    ?   289.739  117.835      118.007    117.835      50.2839     -62.1646     
1 1 1 18 1  23 o 0 9.4    8     ?    ?   135.199  -108.033     6.99451    71.9668      84.8215     71.9668      
1 1 1 18 1  24 o 0 47.3   11.3  ?    ?   225.453  148.771      184.198    148.771      60.1659     148.771      
1 1 1 18 1  25 o 0 49     12.1  ?    ?   280.789  -143.335     175.167    -143.335     24.344      -143.335     
1 1 1 18 1  26 o 0 196.9  21.5  ?    ?   512.75   -105.957     430.939    -105.957     158.391     -105.957     
1 1 1 18 1  27 o 0 18.6   10.1  ?    ?   31.6011  -8.65578     24.9381    -8.65578     7.55763     -8.65578     
1 1 1 18 1  28 o 0 3.6    8.7   ?    ?   71.2243  -82.8119     6.42432    -82.8119     42.5982     97.1881      
1 1 1 18 1  29 o 0 -3.8   9     ?    ?   83.051   -13.7465     12.4129    166.254      68.886      166.254      
1 1 1 18 1  30 f 1 4.5    8.8   ?    ?   171.023  10.9216      3.03797    -169.078     117.816     -169.078     
1 1 1 18 1  31 o 0 74.3   12.2  ?    ?   253.715  96.8445      322        96.8445      157.206     96.8445      
1 1 1 18 1  32 o 0 0      8.8   ?    ?   129.214  -29.0822     1.28386    -29.0822     79.198      150.918      
1 1 1 18 1  33 o 0 13.8   9.3   ?    ?   147.155  -164.77      73.0746    -164.77      16.2343     15.2297      
1 1 1 18 1  34 o 0 38.2   9.9   ?    ?   128.557  -75.9446     230.929    -75.9446     158.408     -75.9446     
1 1 1 18 1  35 f 1 12.3   11    ?    ?   177.739  78.5082      69.8719    78.5082      19.532      -101.492     
1 1 1 18 2  0  o 0 122.4  14.7  ?    ?   449.865  2.89042e-14  311.27     0            23.3395     -3.5658e-13  
1 1 1 18 2  1  o 0 131.8  9.9   ?    ?   504.872  65.0228      286.475    65.0228      36.3829     -114.977     
1 1 1 18 2  2  o 0 37     4     ?    ?   156.086  -110.085     91.4144    -110.085     8.25216     69.9149      
1 1 1 18 2  3  f 1 83.6   6.5   ?    ?   452.366  114.291      182.232    114.291      105.293     -65.7091     
1 1 1 18 2  4  o 0 1064.3 69    ?    ?   1434.59  -149.104     901.087    -149.104     10.7998     30.896       
1 1 1 18 2  5  o 0 336.3  25.9  ?    ?   542.802  -108.392     646.419    -108.392     302.405     -108.392     
1 1 1 18 2  6  f 1 142.4  12.2  ?    ?   900.024  124.286      77.9758    124.286      489.082     -55.7137     
1 1 1 18 2  7  o 0 327.7  25.4  ?    ?   566.934  -106.947     615.141    -106.947     258.331     -106.947     
1 1 1 18 2  8  o 0 677.9  56    ?    ?   1158.49  147.436      693.34     147.436      32.8952     -32.5643     
1 1 1 18 2  9  o 0 696.7  58    ?    ?   882.312  -38.6804     875.844    -38.6805     325.079     -38.6805     
1 1 1 18 2  10 f 1 59.3   7.7   ?    ?   305.843  57.5498      166.004    57.5499      23.1573     -122.45      
1 1 1 18 2  11 o 0 6.4    6.7   ?    ?   140.968  -66.9712     46.5737    113.029      133.572     113.029      
1 1 1 18 2  12 o 0 177.7  15.2  ?    ?   488.544  22.2033      386.604    22.2033      86.6044     22.2033      
1 1 1 18 2  13 f 1 119.6  10.8  ?    ?   288.204  8.1064       348.072    8.1064       172.476     8.1064       
1 1 1 18 2  14 o 0 73.5   8.7   ?    ?   423.819  -161.049     159.749    -161.049     100.683     18.9513      
1 1 1 18 2  15 o 0 -3.8   6.7   ?    ?   166.83   122.476      78.0137    -57.5238     179.935     -57.5238     
1 1 1 18 2  16 o 0 54.9   8     ?    ?   389.827  132.079      118.846    132.079      132.824     -47.9214     
1 1 1 18 2  17 f 1 420.5  30.7  ?    ?   887.878  141.58       556.812    141.58       17.1293     -38.4201     
1 1 1 18 2  18 o 0 172.4  15.1  ?    ?   692.03   -98.0361     263.837    -98.0361     181.635     81.9639      
1 1 1 18 2  19 o 0 29.9   7.7   ?    ?   307.243  20.183       47.8756    20.183       148.498     -159.817     
1 1 1 18 2  20 o 0 16.7   8.5   ?    ?   175.049  -81.3517     15.7891    -81.3517     93.0211     98.6483      
1 1 1 18 2  21 o 0 28.6   8.2   ?    ?   334.141  -17.5606     39.2451    -17.5606     166.817     162.439      
1 1 1 18 2  22 o 0 192.4  18.3  ?    ?   497.383  -41.2711     434.035    -41.2711     146.104     -41.2711     
1 1 1 18 2  23 o 0 -3.2   9.3   ?    ?   114.302  -70.8595     32.1308    109.14       97.7185     109.14       
1 1 1 18 2  24 o 0 25.3   10.5  ?    ?   243.538  132.434      70.9298    132.434      62.6453     -47.5657     
1 1 1 18 2  25 o 0 50.5   12.1  ?    ?   179.68   156.471      210.992    156.471      114.756     156.471      
1 1 1 18 2  26 o 0 68.6   14.5  ?    ?   278.137  103.515      239.067    103.515      91.6263     103.515      
1 1 1 18 2  27 o 0 27.1   10.5  ?    ?   119.132  -176.746     132.006    -176.746     50.8996     -176.746     
1 1 1 18 2  28 o 0 61.5   10.2  ?    ?   328.588  -57.5275     237.44     -57.5275     11.8185     -57.5275     
1 1 1 18 2  29 o 0 35.9   10.1  ?    ?   316.449  -145.222     122.319    -145.222     92.3802     34.778       
1 1 1 18 2  30 o 0 1.9    8.9   ?    ?   122.643  130.443      0.459542   -49.5566     82.8103     -49.5566     
1 1 1 18 2  31 o 0 14.5   8.6   ?    ?   207.757  59.0992      47.1692    59.0992      87.5151     -120.901     
1 1 1 18 2  32 o 0 28.2   9.1   ?    ?   174.323  -69.2916     154.066    -69.2916     45.6786     -69.2916     
1 1 1 18 2  33 o 0 18.7   8.7   ?    ?   110.153  -166.029     112.208    -166.029     45.4627     -166.029     
1 1 1 18 2  34 o 0 33.3   10.5  ?    ?   264.69   103.768      138.687    103.768      10.4136     -76.2318     
1 1 1 18 2  35 o 0 16.1   12.8  ?    ?   106.019  143.298      106.801    143.298      53.4041     143.298      
1 1 1 18 3  0  o 0 82.5   9.2   ?    ?   523.933  6.49649e-16  254.248    0            79.146      -180         
1 1 1 18 3  1  o 0 19.8   3.7   ?    ?   62.7069  162.28       8.66513    162.28       31.2016     -17.7201     
1 1 1 18 3  2  o 0 98.2   7.4   ?    ?   640.346  -104.906     118.922    -104.906     287.579     75.0938      
1 1 1 18 3  3  o 0 353.3  29.6  ?    ?   1098.76  173.715      337.89     173.715      358.216     -6.28514     
1 1 1 18 3  4  o 0 375.4  28.7  ?    ?   949.657  168.204      461.176    168.204      138.97      -11.7964     
1 1 1 18 3  5  o 0 402.5  28.5  ?    ?   955.097  43.6236      495.088    43.6236      106.747     -136.376     
1 1 1 18 3  6  o 0 30.8   4.8   ?    ?   242.437  136.958      58.0878    136.958      94.181      -43.0419     
1 1 1 18 3  7  o 0 17     4.5   ?    ?   281.397  161.945      32.4598    -18.0547     208.566     -18.0547     
1 1 1 18 3  8  o 0 15.7   6.3   ?    ?   341.942  -141.659     68.5524    38.3411      281.721     38.3411      
1 1 1 18 3  9  o 0 1174   96.6  ?    ?   1611.15  59.654       846.545    59.654       153.699     -120.346     
1 1 1 18 3  10 o 0 60.8   8.9   ?    ?   589.667  35.9456      29.6101    35.9456      334.078     -144.054     
1 1 1 18 3  11 o 0 -13.2  7     ?    ?   58.5029  133.925      30.8445    -46.0748     66.76       -46.0748     
1 1 1 18 3  12 o 0 228.3  19.6  ?    ?   556.829  134.318      443.642    134.318      103.466     134.318      
1 1 1 18 3  13 o 0 154.4  12.8  ?    ?   557.329  -172.704     297.231    -172.704     41.5065     7.29649      
1 1 1 18 3  14 o 0 29.9   6.4   ?    ?   219.287  -46.1834     66.5347    -46.1834     67.5564     133.817      
1 1 1 18 3  15 o 0 44.1   7.8   ?    ?   258.01   115.972      122.315    115.972      34.5611     -64.0284     
1 1 1 18 3  16 o 0 51.6   8.1   ?    ?   249.388  -173.326     163.215    -173.326     2.95538     -173.326     
1 1 1 18 3  17 o 0 46     8.1   ?    ?   391.482  -97.335      83.3861    -97.335      169.189     82.665       
1 1 1 18 3  18 o 0 254.3  19    ?    ?   469.819  32.5584      550.293    32.5584      249.178     32.5584      
1 1 1 18 3  19 f 1 15.7   7.4   ?    ?   90.9124  158.283      5.38601    158.283      52.3271     -21.7173     
1 1 1 18 3  20 o 0 97.9   11.2  ?    ?   448.766  117.059      232.193    117.059      45.6248     -62.9412     
1 1 1 18 3  21 o 0 321.7  25.2  ?    ?   682.024  169.698      531.428    169.698      112.479     169.698      
1 1 1 18 3  22 o 0 633.3  49.2  ?    ?   1042.35  -46.8646     724.414    -46.8646     123.28      -46.8646     
1 1 1 18 3  23 o 0 -3.7   8.8   ?    ?   192.039  -109.74      61.3709    70.2595      171.166     70.2595      
1 1 1 18 3  24 o 0 169.8  19.5  ?    ?   561.225  -48.7193     356.695    -48.7193     49.9466     -48.7193     
1 1 1 18 3  25 o 0 166.3  19.4  ?    ?   594.5    -13.3282     334.408    -13.3282     17.0555     -13.3282     
1 1 1 18 3  26 o 0 77     18.6  ?    ?   409.055  155.378      200.753    155.378      15.3976     -24.622      
1 1 1 18 3  27 o 0 88.2   15.4  ?    ?   369.689  -160.121     306.912    -160.121     55.9852     -160.121     
1 1 1 18 3  28 o 0 11.3   8.8   ?    ?   167.017  92.2861      34.1976    92.2861      80.1521     -87.7139     
1 1 1 18 3  29 o 0 24.3   12.1  ?    ?   229.05   -116.412     92.5202    -116.412     62.7973     63.5877      
1 1 1 18 3  30 o 0 22.4   8.6   ?    ?   227.029  110.661      87.8296    110.661      64.2173     -69.339      
1 1 1 18 3  31 o 0 4.5    8.8   ?    ?   186.425  98.4294      2.74758    -81.5706     123.307     -81.5706     
1 1 1 18 3  32 o 0 0.3    9.6   ?    ?   42.8835  98.2641      9.2291     98.2641      17.3729     -81.7359     
1 1 1 18 3  33 f 1 -10.3  10    ?    ?   230.223  141.878      51.2731    -38.1215     190.114     -38.1215     
1 1 1 18 3  34 o 0 14     9.1   ?    ?   190.752  -42.4145     62.2864    -42.4145     44.9486     137.585      
1 1 1 18 3  35 o 0 89.6   14.1  ?    ?   395.893  -27.0076     303.21     -27.0076     104.192     -27.0076     
1 1 1 18 4  0  f 1 64.9   12    ?    ?   23.4608  -8.1479e-13  29.0601    0            14.2644     8.45135e-13  
1 1 1 18 4  1  o 0 261.8  22.2  ?    ?   914.166  -28.7623     304.562    -28.7623     272.941     151.238      
1 1 1 18 4  2  o 0 47.8   5.6   ?    ?   276.035  139.529      129.251    139.529      44.8738     -40.4711     
1 1 1 18 4  3  o 0 188.8  15    ?    ?   792.3    -33.9142     241.7      -33.9142     257.102     146.086      
1 1 1 18 4  4  o 0 365.1  28    ?    ?   798.584  79.8928      534.366    79.8928      32.8274     79.8928      
1 1 1 18 4  5  f 1 390.5  32.8  ?    ?   688.919  106.812      633.694    106.812      203.361     106.812      
1 1 1 18 4  6  o 0 361.9  30.4  ?    ?   776.764  -9.19691     538.593    -9.19691     53.6825     -9.19691     
1 1 1 18 4  7  o 0 27.8   5.1   ?    ?   43.8798  101.957      19.5875    101.957      7.70978     -78.0432     
1 1 1 18 4  8  o 0 905.9  74.6  ?    ?   1443.79  1.29408      727.903    1.29408      166.876     -178.706     
1 1 1 18 4  9  f 1 57.4   7.6   ?    ?   441.019  68.2332      97.827     68.2332      173.103     -111.767     
1 1 1 18 4  10 o 0 86.8   10.2  ?    ?   570.896  -143.401     122.796    -143.401     227.321     36.599       
1 1 1 18 4  11 o 0 33.4   7.2   ?    ?   391.175  116.125      20.9609    116.125      217.853     -63.8749     
1 1 1 18 4  12 o 0 0.4    5.7   ?    ?   279.381  -49.5841     129.232    130.416      298.984     130.416      
1 1 1 18 4  13 o 0 97.8   9.4   ?    ?   296.986  118.404      284.344    118.404      104.799     118.404      
1 1 1 18 4  14 o 0 84.1   8.8   ?    ?   299.775  117.229      247.018    117.229      64.6612     117.229      
1 1 1 18 4  15 o 0 70.7   8.2   ?    ?   243.56   155.075      222.401    155.075      75.0608     155.075      
1 1 1 18 4  16 o 0 20.5   6.6   ?    ?   125.39   76.6965      24.2933    76.6965      55.8856     -103.303     
1 1 1 18 4  17 o 0 342    25.4  ?    ?   445.925  -67.4611     705.206    -67.4611     418.891     -67.4611     
1 1 1 18 4  18 o 0 202.9  17    ?    ?   692.269  47.0238      322.641    47.0238      118.967     -132.976     
1 1 1 18 4  19 o 0 45.1   8     ?    ?   242.596  -105.7       154.684    -105.7       4.07845     -105.7       
1 1 1 18 4  20 o 0 32.5   8     ?    ?   222.063  -49.5267     101.557    -49.5267     35.3069     130.473      
1 1 1 18 4  21 f 1 32.1   8.4   ?    ?   266.459  69.6896      99.4801    69.6896      54.3942     -110.31      
1 1 1 18 4  22 o 0 195.1  17.3  ?    ?   453.766  159.595      459.189    159.595      198.587     159.595      
1 1 1 18 4  23 o 0 58.9   11    ?    ?   366.259  -137.7       172.498    -137.7       28.7137     42.2997      
1 1 1 18 4  24 o 0 15.7   11.1  ?    ?   66.2031  -124.958     23.7841    -124.958     12.2596     55.0423      
1 1 1 18 4  25 o 0 4.2    10.8  ?    ?   108.345  3.57904      0.987473   3.57904      56.631      -176.421     
1 1 1 18 4  26 o 0 60.8   12    ?    ?   206.142  -94.1427     241.507    -94.1427     127.961     -94.1427     
1 1 1 18 4  27 o 0 -11.8  9.3   ?    ?   209.779  132.443      80.5757    -47.5573     222.466     -47.5573     
1 1 1 18 4  28 o 0 138.7  14.4  ?    ?   418.554  104.688      425.545    104.688      139.94      104.688      
1 1 1 18 4  29 o 0 -8.1   8.8   ?    ?   64.3796  129.558      13.5217    -50.4418     57.0365     -50.4418     
1 1 1 18 4  30 o 0 15.2   10.1  ?    ?   137.257  -143.665     77.1244    -143.665     12.5248     36.3349      
1 1 1 18 4  31 o 0 25.2   10.3  ?    ?   6.50192  109.016      15.6178    109.016      11.4254     109.016      
1 1 1 18 4  32 o 0 -5.4   8.7   ?    ?   173.335  8.14823      30.6157    -171.852     137.838     -171.852     
1 1 1 18 4  33 o 0 2.7    8.9   ?    ?   99.5921  -142.163     20.89      -142.163     39.1646     37.8366      
1 1 1 18 4  34 o 0 59.6   13    ?    ?   369.889  -61.0982     199.1      -61.0982     8.31086     118.902      
1 1 1 18 4  35 o 0 61.4   13.3  ?    ?   335.329  -29.6341     235.495    -29.6341     67.3294     -29.6341     
1 1 1 18 5  0  o 0 299.3  32.6  ?    ?   373.797  -5.33841e-14 478.13     0            243.406     5.14802e-14  
1 1 1 18 5  1  o 0 53.2   6.4   ?    ?   383.758  -35.0757     108.647    -35.0757     132.135     144.924      
1 1 1 18 5  2  o 0 70.5   8.6   ?    ?   288.202  78.7903      209.282    78.7903      28.7065     78.7903      
1 1 1 18 5  3  o 0 724.5  54.5  ?    ?   1288.25  42.1997      662.664    42.1997      142.971     -137.8       
1 1 1 18 5  4  o 0 336.1  25.9  ?    ?   764.906  -160.602     508.158    -160.602     30.9258     -160.602     
1 1 1 18 5  5  o 0 369.6  28.4  ?    ?   865.652  -138.92      495.779    -138.92      42.8366     41.0801      
1 1 1 18 5  6  o 0 34     6.1   ?    ?   473.367  -42.2311     18.3824    137.769      312.009     137.769      
1 1 1 18 5  7  o 0 62.7   7.6   ?    ?   339.736  -12.6159     160.775    -12.6159     49.2488     167.384      
1 1 1 18 5  8  o 0 98.9   11.7  ?    ?   523.676  -132.934     183.129    -132.934     138.723     47.0655      
1 1 1 18 5  9  o 0 171.4  15.7  ?    ?   566.31   -115.586     330.03     -115.586     16.6614     64.4138      
1 1 1 18 5  10 o 0 130.3  12.9  ?    ?   457.388  -29.0673     296.298    -29.0673     17.4536     -29.0673     
1 1 1 18 5  11 o 0 67.9   7.8   ?    ?   255.68   -171.752     207.257    -171.752     52.0695     -171.752     
1 1 1 18 5  12 o 0 657.5  49.8  ?    ?   1123.28  -50.8618     671.362    -50.8618     7.25876     129.138      
1 1 1 18 5  13 f 1 472.8  33.7  ?    ?   875.102  -35.0291     605.838    -35.0291     75.0376     -35.0291     
1 1 1 18 5  14 o 0 257.3  18.4  ?    ?   718.123  143.407      392.256    143.407      42.2033     -36.5932     
1 1 1 18 5  15 o 0 37.4   7.4   ?    ?   359.694  59.9517      58.4159    59.9517      171.697     -120.048     
1 1 1 18 5  16 o 0 36.6   7.3   ?    ?   224.355  107.281      110.006    107.281      34.1782     -72.7186     
1 1 1 18 5  17 o 0 292    21.2  ?    ?   653.732  85.5354      503.53     85.5354      85.9307     85.5354      
1 1 1 18 5  18 o 0 73.7   8.9   ?    ?   333.198  -55.7402     211.444    -55.7402     0.0476184   124.26       
1 1 1 18 5  19 o 0 25.4   8.2   ?    ?   252.496  -156.288     54.9791    -156.288     101.009     23.7123      
1 1 1 18 5  20 o 0 91.5   10.2  ?    ?   420.178  -21.9944     227.712    -21.9944     30.0251     158.006      
1 1 1 18 5  21 o 0 42.4   8.9   ?    ?   192.431  -3.55392     165.139    -3.55392     54.2437     -3.55392     
1 1 1 18 5  22 o 0 86.9   11.7  ?    ?   516.503  80.8915      176.475    80.8915      118.817     -99.1085     
1 1 1 18 5  23 f 1 31.7   10.9  ?    ?   257.209  103.742      100.119    103.742      40.2003     -76.2581     
1 1 1 18 5  24 o 0 145.1  16.4  ?    ?   515.235  132.317      325.481    132.317      46.166      132.317      
1 1 1 18 5  25 o 0 183.1  22.1  ?    ?   547.415  145.143      385.471    145.143      95.5631     145.143      
1 1 1 18 5  26 o 0 31.4   12.3  ?    ?   336.104  -53.3033     62.7517    -53.3033     121.631     126.697      
1 1 1 18 5  27 o 0 135.2  16.1  ?    ?   365.782  10.9072      449.891    10.9072      203.452     10.9072      
1 1 1 18 5  28 o 0 9.7    9.8   ?    ?   76.4012  -129.051     33.0718    -129.051     18.8635     50.949       
1 1 1 18 5  29 f 1 31.1   8.5   ?    ?   228.35   -99.1759     149.138    -99.1759     4.24316     80.8241      
1 1 1 18 5  30 o 0 41.5   9.4   ?    ?   192.716  166.326      222.191    166.326      96.766      166.326      
1 1 1 18 5  31 o 0 96.7   12.3  ?    ?   399.738  103.815      314.256    103.815      64.4836     103.815      
1 1 1 18 5  32 o 0 4.6    8.5   ?    ?   92.4736  -27.1497     28.8514    -27.1497     27.5167     152.85       
1 1 1 18 5  33 o 0 5.6    9     ?    ?   94.1267  44.8551      44.5176    44.8551      8.87709     -135.145     
1 1 1 18 5  34 o 0 18.8   12.3  ?    ?   294.093  147.222      51.5014    147.222      97.8161     -32.7778     
1 1 1 18 6  0  o 0 -5.2   5.8   ?    ?   64.159   -2.67266e-15 1.45707    0            38.5377     180          
1 1 1 18 6  1  o 0 141    11.6  ?    ?   577.769  47.716       260.367    47.716       99.5329     -132.284     
1 1 1 18 6  2  o 0 129.5  10.9  ?    ?   559.267  -80.2388     243.085    -80.2388     104.84      99.7612      
1 1 1 18 6  3  o 0 112.1  10.9  ?    ?   480.925  -18.3869     241.365    -18.3869     57.2891     161.613      
1 1 1 18 6  4  o 0 898.2  74    ?    ?   1075.78  -2.68235     945.466    -2.68235     278.892     -2.68235     
1 1 1 18 6  5  o 0 342.6  26.4  ?    ?   912.054  -161.674     425.824    -161.674     137.827     18.3263      
1 1 1 18 6  6  o 0 498.6  37.8  ?    ?   1022.44  -153.319     564.767    -153.319     65.2355     26.6813      
1 1 1 18 6  7  o 0 98.6   9.1   ?    ?   414.244  141.294      239.134    141.294      14.7328     -38.706      
1 1 1 18 6  8  o 0 259.7  22.4  ?    ?   959.555  -146.554     265.71     -146.554     320.266     33.4463      
1 1 1 18 6  9  o 0 40     6.7   ?    ?   162.36   163.495      105.301    163.495      6.52876     163.495      
1 1 1 18 6  10 o 0 6      4.9   ?    ?   310.117  34.1555      121.142    -145.845     309.04      -145.845     
1 1 1 18 6  11 o 0 90.8   8.9   ?    ?   420.516  -36.4441     210.742    -36.4441     42.9552     143.556      
1 1 1 18 6  12 o 0 43.3   6.8   ?    ?   43.5727  -97.0081     52.1379    -97.0081     25.6677     -97.0081     
1 1 1 18 6  13 o 0 477.6  32.5  ?    ?   902.502  -131.226     590.992    -131.226     45.3453     -131.226     
1 1 1 18 6  14 o 0 156.3  12.7  ?    ?   413.994  38.6382      369.017    38.6382      119.98      38.6382      
1 1 1 18 6  15 o 0 47.4   7.1   ?    ?   213.465  -5.87247     151.506    -5.87247     15.7046     -5.87247     
1 1 1 18 6  16 o 0 192.9  15    ?    ?   589.916  38.1453      365.568    38.1453      11.4725     -141.855     
1 1 1 18 6  17 o 0 466.9  33.7  ?    ?   716.488  143.566      708.73     143.566      253.501     143.566      
1 1 1 18 6  18 o 0 91.1   9.7   ?    ?   455.6    -122.946     209.747    -122.946     72.1258     57.0536      
1 1 1 18 6  19 o 0 30.5   7.7   ?    ?   145.207  171.048      97.1046    171.048      7.86102     171.048      
1 1 1 18 6  20 o 0 35     8.6   ?    ?   252.018  68.9731      103.395    68.9731      50.4111     -111.027     
1 1 1 18 6  21 o 0 203.8  18.2  ?    ?   751.266  -28.5686     314.939    -28.5686     115.858     151.431      
1 1 1 18 6  22 o 0 149.9  15    ?    ?   476.706  151.628      350.836    151.628      79.6195     151.628      
1 1 1 18 6  23 o 0 142.4  16.3  ?    ?   382.03   108.351      387.38     108.351      179.42      108.351      
1 1 1 18 6  24 f 1 43.8   10.2  ?    ?   334.106  -32.5903     133.696    -32.5903     43.6274     147.41       
1 1 1 18 6  25 o 0 20.4   12    ?    ?   168.661  -171.426     63.9286    -171.426     24.9878     8.57366      
1 1 1 18 6  26 o 0 185.3  24.5  ?    ?   557.326  -52.5845     447.979    -52.5845     70.2314     -52.5845     
1 1 1 18 6  27 o 0 -1.4   9.6   ?    ?   136.452  -143.455     14.816     36.5454      108.192     36.5454      
1 1 1 18 6  28 o 0 39.8   9.1   ?    ?   211.946  -42.0217     201.817    -42.0217     58.3504     -42.0217     
1 1 1 18 6  29 o 0 26.5   8.5   ?    ?   204.703  137.564      127.163    137.564      10.1228     -42.4358     
1 1 1 18 6  30 o 0 32.2   8.9   ?    ?   139.4    112.204      193.753    112.204      103.391     112.204      
1 1 1 18 6  31 o 0 31.2   9.6   ?    ?   71.1384  6.21475      169.639    6.21475      125.362     6.21475      
1 1 1 18 6  32 o 0 14.8   8.8   ?    ?   38.4251  -31.1002     52.3665    -31.1002     29.0328     -31.1002     
1 1 1 18 6  33 o 0 4      9.2   ?    ?   137.479  83.5047      31.806     83.5047      45.8944     -96.4953     
1 1 1 18 6  34 o 0 30.5   11    ?    ?   306.555  115.834      111.412    115.834      43.6776     -64.1663     
1 1 1 18 7  0  o 0 48.2   7.9   ?    ?   837.751  180          188.088    180          330.132     -3.70647e-14 
1 1 1 18 7  1  o 0 143.7  11.6  ?    ?   735.62   -174.653     174.529    -174.653     280.234     5.34704      
1 1 1 18 7  2  o 0 29.3   4.6   ?    ?   195.846  -124.386     55.5191    -124.386     65.4132     55.6135      
1 1 1 18 7  3  o 0 560.2  42.2  ?    ?   1182.95  -98.1406     541.007    -98.1406     188.242     81.8594      
1 1 1 18 7  4  o 0 1068.4 80    ?    ?   1523.83  10.7781      813.254    10.7781      124.185     -169.222     
1 1 1 18 7  5  o 0 457.1  34.7  ?    ?   996.944  121.391      528.368    121.391      82.1013     -58.6094     
1 1 1 18 7  6  o 0 221    19.1  ?    ?   815.068  129.128      283.319    129.128      214.376     -50.8719     
1 1 1 18 7  7  o 0 204.6  16.3  ?    ?   735.905  -172.841     298.424    -172.841     149.53      7.15913      
1 1 1 18 7  8  o 0 274.4  23.6  ?    ?   842.226  107.357      356.565    107.357      154.361     -72.6426     
1 1 1 18 7  9  o 0 578.6  48.2  ?    ?   986.724  -17.4083     666.817    -17.4083     70.4284     -17.4083     
1 1 1 18 7  10 o 0 176.4  13.9  ?    ?   704.052  -165.096     258.919    -165.096     164.951     14.904       
1 1 1 18 7  11 o 0 39.2   6.3   ?    ?   233.706  -19.06       107.162    -19.06       34.5686     160.94       
1 1 1 18 7  12 o 0 851.1  59.5  ?    ?   1373.83  168.502      691.556    168.502      137.924     -11.498      
1 1 1 18 7  13 o 0 863.4  60.6  ?    ?   1234.31  -124.546     780.154    -124.546     38.3905     -124.546     
1 1 1 18 7  14 o 0 319.3  22.2  ?    ?   1015.75  3.40255      331.084    3.40255      314.718     -176.597     
1 1 1 18 7  15 o 0 113.4  10.3  ?    ?   424.559  -112.058     280.929    -112.058     9.63309     -112.058     
1 1 1 18 7  16 o 0 57     7.6   ?    ?   465.171  -46.4162     85.5051    -46.4162     210.106     133.584      
1 1 1 18 7  17 o 0 570.4  38.4  ?    ?   983.539  31.7705      665.015    31.7705      43.6261     31.7705      
1 1 1 18 7  18 o 0 98.3   11.3  ?    ?   353.943  123.208      281.471    123.208      63.7032     123.208      
1 1 1 18 7  19 o 0 60.3   8.8   ?    ?   252.035  14.7618      207.085    14.7618      53.0283     14.7618      
1 1 1 18 7  20 o 0 12.5   7.5   ?    ?   309.871  -119.944     38.8973    60.0564      216.952     60.0564      
1 1 1 18 7  21 o 0 94.9   10.9  ?    ?   300.35   25.3125      304.608    25.3125      133.286     25.3125      
1 1 1 18 7  22 o 0 116    13    ?    ?   540.288  62.832       251.313    62.832       43.7147     -117.168     
1 1 1 18 7  23 o 0 42.2   10.1  ?    ?   252.066  -77.4606     152.459    -77.4606     15.9429     -77.4606     
1 1 1 18 7  24 o 0 29     12.7  ?    ?   225.7    6.42706      97.2028    6.42706      22.2941     -173.573     
1 1 1 18 7  25 o 0 34.2   9.9   ?    ?   262.369  -103.424     118.408    -103.424     25.5871     76.5755      
1 1 1 18 7  26 o 0 16.3   9.6   ?    ?   294.985  68.5357      5.78554    68.5357      193.188     -111.464     
1 1 1 18 7  27 o 0 115.1  15.3  ?    ?   344.957  -119.517     401.886    -119.517     166.942     -119.517     
1 1 1 18 7  28 f 1 33.1   10.7  ?    ?   12.5787  -87.2838     40.3442    -87.2838     31.8723     -87.2838     
1 1 1 18 7  29 o 0 19.6   8.2   ?    ?   157.846  -77.7518     104.944    -77.7518     1.85455     -77.7518     
1 1 1 18 7  30 o 0 70.5   11    ?    ?   253.157  -141.299     307.693    -141.299     144.321     -141.299     
1 1 1 18 7  31 o 0 59.6   10.3  ?    ?   271.305  100.862      258.899    100.862      90.7719     100.862      
1 1 1 18 7  32 o 0 5.9    8.8   ?    ?   100.093  -27.2898     34.5368    -27.2898     25.9861     152.71       
1 1 1 18 7  33 o 0 -5.8   10.9  ?    ?   223.965  -168.91      22.5847    11.0902      148.639     11.0902      
1 1 1 18 7  34 o 0 10.5   10.1  ?    ?   111.723  -174.618     80.531     -174.618     24.2381     -174.618     
1 1 1 18 8  1  o 0 31.7   4.8   ?    ?   188.429  -107.081     71.3676    -107.081     43.9514     72.9193      
1 1 1 18 8  2  o 0 106.1  9.1   ?    ?   541.544  82.393       192.457    82.393       138.636     -97.607      
1 1 1 18 8  3  f 1 53.8   6.2   ?    ?   457.091  -140.368     75.8877    -140.368     202.438     39.6316      
1 1 1 18 8  4  o 0 1066.4 80    ?    ?   1438.49  -37.5492     856.734    -37.5492     19.7388     142.451      
1 1 1 18 8  5  o 0 199.4  16.1  ?    ?   321.272  135.051      505.882    135.051      310.584     135.051      
1 1 1 18 8  6  o 0 173.7  14.1  ?    ?   708.549  79.113       252.626    79.113       176.95      -100.887     
1 1 1 18 8  7  o 0 62.7   6.9   ?    ?   227.25   -70.3478     193.895    -70.3478     56.5293     -70.3478     
1 1 1 18 8  8  o 0 133.9  12    ?    ?   356.086  -146.268     350.079    -146.268     135.538     -146.268     
1 1 1 18 8  9  o 0 1081.2 75.3  ?    ?   1554.87  56.867       790.566    56.867       142.931     -123.133     
1 1 1 18 8  10 o 0 151.1  12.3  ?    ?   677.687  28.4766      217.171    28.4766      192.822     -151.523     
1 1 1 18 8  11 o 0 97     9.2   ?    ?   200.869  41.1764      306.882    41.1764      185.851     41.1764      
1 1 1 18 8  12 o 0 186.4  13.8  ?    ?   716.156  56.7977      264.979    56.7977      164.677     -123.202     
1 1 1 18 8  13 o 0 193.7  14.7  ?    ?   324.252  109.831      512.655    109.831      306.768     109.831      
1 1 1 18 8  14 o 0 216.1  17.3  ?    ?   652.077  165.987      372.538    165.987      43.7565     -14.0128     
1 1 1 18 8  15 o 0 8.5    6.7   ?    ?   131.94   56.0728      30.4195    -123.927     114.221     -123.927     
1 1 1 18 8  16 f 1 49.8   8.3   ?    ?   366.552  -169.015     109.867    -169.015     121.09      10.9852      
1 1 1 18 8  17 f 1 60.3   8.4   ?    ?   245.234  74.2745      211.331    74.2745      60.7925     74.2745      
1 1 1 18 8  18 f 1 103.6  10.6  ?    ?   138.372  -128.808     354.23     -128.808     269.806     -128.808     
1 1 1 18 8  19 o 0 34.5   7.5   ?    ?   279.989  -1.05368     105.785    -1.05368     55.2915     178.946      
1 1 1 18 8  20 o 0 52.2   8.4   ?    ?   461.619  -171.263     93.9372    -171.263     169.817     8.7374       
1 1 1 18 8  21 o 0 274.4  23.9  ?    ?   872.677  -140.299     380.601    -140.299     96.975      39.7005      
1 1 1 18 8  22 o 0 528.6  46.1  ?    ?   908.227  -14.658      679.798    -14.658      186.576     -14.658      
1 1 1 18 8  23 o 0 28.8   9     ?    ?   259.826  -13.0492     96.701     -13.0492     41.3142     166.951      
1 1 1 18 8  24 o 0 108.8  13.4  ?    ?   476.191  123.126      263.461    123.126      12.6885     123.126      
1 1 1 18 8  25 o 0 -2.4   8.9   ?    ?   90.2705  -69.2697     18.107     110.73       79.2669     110.73       
1 1 1 18 8  26 o 0 65     11    ?    ?   362.929  -168.573     228.678    -168.573     19.756      11.4273      
1 1 1 18 8  27 o 0 36.7   10.7  ?    ?   299.983  -26.8404     135.192    -26.8404     68.0766     153.16       
1 1 1 18 8  28 o 0 8.5    10.8  ?    ?   53.167   -174.624     28.0699    -174.624     7.65021     5.37597      
1 1 1 18 8  29 o 0 69.8   10.7  ?    ?   327.247  -59.0285     266.989    -59.0285     54.3223     -59.0285     
1 1 1 18 8  30 o 0 25.1   9     ?    ?   221.066  -46.5477     113.947    -46.5477     24.1026     133.452      
1 1 1 18 8  31 o 0 63.8   10    ?    ?   378.426  136.219      219.02     136.219      11.7252     -43.781      
1 1 1 18 8  32 o 0 19.7   9     ?    ?   217.602  88.1862      90.2424    88.1862      33.3476     -91.8138     
1 1 1 18 8  33 o 0 -2.8   10.4  ?    ?   81.1536  57.8851      36.9189    57.8851      4.37382     -122.115     
1 1 1 18 9  0  o 0 166.2  19.1  ?    ?   866.225  -1.96381e-14 345.283    0            180.649     180          
1 1 1 18 9  1  o 0 347.7  26.7  ?    ?   714.751  166.151      541.914    166.151      108.077     166.151      
1 1 1 18 9  2  o 0 77.2   7.4   ?    ?   498.755  10.1276      132.001    10.1276      170.482     -169.872     
1 1 1 18 9  3  o 0 376.6  28.8  ?    ?   799.268  166.689      532.822    166.689      48.7228     166.689      
1 1 1 18 9  4  o 0 700.5  49    ?    ?   1123.48  -110.776     717.013    -110.776     37.7336     -110.776     
1 1 1 18 9  5  o 0 501.7  35.4  ?    ?   1056.79  -75.4117     540.164    -75.4117     97.4232     104.588      
1 1 1 18 9  6  o 0 6.4    5.1   ?    ?   122.029  -115.576     42.3839    64.4239      115.823     64.4239      
1 1 1 18 9  7  o 0 28.3   5     ?    ?   268.065  12.9561      41.0284    12.9561      119.844     -167.044     
1 1 1 18 9  8  o 0 158.7  12.8  ?    ?   633.089  3.71059      258.625    3.71059      124.491     -176.289     
1 1 1 18 9  9  o 0 484.7  34.6  ?    ?   879.896  116.4        610.795    116.4        80.1319     116.4        
1 1 1 18 9  10 o 0 151.6  13.4  ?    ?   540.089  -33.3034     292.575    -33.3034     31.9578     146.697      
1 1 1 18 9  11 o 0 -4.2   6.1   ?    ?   121.043  65.4231      61.1482    -114.577     138.175     -114.577     
1 1 1 18 9  12 o 0 107.6  9.4   ?    ?   534.867  -19.0965     203.985    -19.0965     134.954     160.904      
1 1 1 18 9  13 o 0 33     7.4   ?    ?   142.331  -97.4747     94.283     -97.4747     3.56488     -97.4747     
1 1 1 18 9  14 o 0 162.5  13.9  ?    ?   578.69   -143.428     306.56     -143.428     60.5342     36.5715      
1 1 1 18 9  15 o 0 53     7.4   ?    ?   254.033  35.802       169.995    35.802       9.6593      35.802       
1 1 1 18 9  16 o 0 51.4   7.9   ?    ?   357.735  -138.246     129.676    -138.246     90.3874     41.7543      
1 1 1 18 9  17 o 0 34.9   8.1   ?    ?   259.672  -37.2416     101.188    -37.2416     57.6462     142.758      
1 1 1 18 9  18 o 0 17.8   7.4   ?    ?   259.898  30.9318      0.91326    30.9318      157.104     -149.068     
1 1 1 18 9  19 o 0 18.7   8.3   ?    ?   146.011  -137.056     41.4043    -137.056     42.0924     42.9439      
1 1 1 18 9  20 o 0 -2.3   8.9   ?    ?   2.01916  -120.562     0.539105   59.4382      1.68595     59.4382      
1 1 1 18 9  21 o 0 55.4   10    ?    ?   252.416  -118.116     205.751    -118.116     68.4257     -118.116     
1 1 1 18 9  22 o 0 36.3   9.4   ?    ?   243.066  132.409      129.921    132.409      1.31201     -47.5906     
1 1 1 18 9  23 f 1 32.1   9.3   ?    ?   104.465  3.44455      122.537    3.44455      67.5075     3.44455      
1 1 1 18 9  24 o 0 -17.7  8.6   ?    ?   64.8646  -78.9625     22.666     101.038      58.1993     101.038      
1 1 1 18 9  25 o 0 32.4   9.5   ?    ?   348.831  102.015      86.6966    102.015      148.315     -77.9852     
1 1 1 18 9  26 o 0 23.1   8.9   ?    ?   204.994  -179.869     102.99     -179.869     36.5547     0.131047     
1 1 1 18 9  27 o 0 22     9.8   ?    ?   70.0527  -52.3957     100.709    -52.3957     53.3979     -52.3957     
1 1 1 18 9  28 o 0 53.2   10.9  ?    ?   181.151  -174.944     272.739    -174.944     151.694     -174.944     
1 1 1 18 9  29 o 0 -0.9   8.2   ?    ?   213.485  36.0466      41.9255    -143.953     179.918     -143.953     
1 1 1 18 9  30 o 0 116.5  13.7  ?    ?   385.273  70.9021      377.024    70.9021      137.705     70.9021      
1 1 1 18 9  31 o 0 6.9    8.8   ?    ?   120.996  -16.0753     38.4746    -16.0753     34.9175     163.925      
1 1 1 18 9  32 o 0 -9.2   10    ?    ?   143.288  -139.401     5.2514     40.5985      86.2148     40.5985      
1 1 1 18 9  33 o 0 50.5   11.2  ?    ?   330.487  79.3586      204.461    79.3586      37.1556     79.3586      
1 1 1 18 10 0  o 0 587.7  54.6  ?    ?   711.709  -2.2263e-15  642.943    0            214.597     4.4438e-15   
1 1 1 18 10 1  o 0 217.9  15    ?    ?   658.017  -87.0693     363.79     -87.0693     32.2031     92.9307      
1 1 1 18 10 2  o 0 183.6  13    ?    ?   569.835  -118.064     347.604    -118.064     4.89527     -118.064     
1 1 1 18 10 3  o 0 222.4  15.4  ?    ?   847.864  -49.4459     263.509    -49.4459     245.84      130.554      
1 1 1 18 10 4  o 0 912.4  63.6  ?    ?   1328.29  146.717      785.457    146.717      11.2598     -33.2829     
1 1 1 18 10 5  o 0 824.3  53.8  ?    ?   1272.14  109.191      740.674    109.191      20.8745     -70.809      
1 1 1 18 10 6  o 0 246    17    ?    ?   698.153  -54.4367     384.734    -54.4367     37.043      125.563      
1 1 1 18 10 7  o 0 20.8   4.9   ?    ?   44.3635  114.15       11.8754    114.15       14.855      -65.8498     
1 1 1 18 10 8  o 0 29.3   5.8   ?    ?   154.577  149.698      65.2566    149.698      27.605      -30.3022     
1 1 1 18 10 9  o 0 70.4   7.5   ?    ?   373.998  -166.698     170.074    -166.698     53.8728     13.3017      
1 1 1 18 10 10 o 0 60.4   7.3   ?    ?   441.683  -167.872     110.541    -167.872     169.658     12.1279      
1 1 1 18 10 11 o 0 69     8.5   ?    ?   265.753  175.873      219.934    175.873      51.9858     175.873      
1 1 1 18 10 12 o 0 268.9  22.4  ?    ?   719.766  -170.34      422.684    -170.34      35.0062     9.66006      
1 1 1 18 10 13 o 0 140.5  12.4  ?    ?   523.258  -169.435     289.128    -169.435     42.1526     10.5651      
1 1 1 18 10 14 o 0 51.7   6.9   ?    ?   472.014  -81.3882     61.3145    -81.3882     236.132     98.6118      
1 1 1 18 10 15 o 0 45.7   7     ?    ?   206.973  -112.155     165.186    -112.155     38.0165     -112.155     
1 1 1 18 10 16 o 0 38.1   6.9   ?    ?   243.826  -36.375      121.835    -36.375      27.1879     143.625      
1 1 1 18 10 17 o 0 18.9   7.7   ?    ?   220.937  128.697      19.6179    128.697      114.659     -51.3029     
1 1 1 18 10 18 o 0 159.6  15    ?    ?   545.145  174.315      338.839    174.315      27.0822     174.315      
1 1 1 18 10 19 o 0 37.1   8.3   ?    ?   166.576  177.843      141.056    177.843      46.3969     177.843      
1 1 1 18 10 20 o 0 13.6   7.4   ?    ?   176.63   -89.9296     17.1214    -89.9296     79.0654     90.0704      
1 1 1 18 10 21 o 0 212.8  19.6  ?    ?   564.741  19.3121      432.293    19.3121      126.944     19.3121      
1 1 1 18 10 23 o 0 6.5    8.4   ?    ?   140.816  -134.883     5.01972    45.1174      78.9374     45.1174      
1 1 1 18 10 24 o 0 15     7.8   ?    ?   134.945  -65.1512     52.9935    -65.1512     38.1947     114.849      
1 1 1 18 10 25 o 0 -0.8   8.8   ?    ?   168.46   99.5483      28.8291    -80.4517     143.915     -80.4517     
1 1 1 18 10 26 o 0 123.9  14.8  ?    ?   240.206  48.7198      485.308    48.7198      322.763     48.7198      
1 1 1 18 10 27 o 0 12.2   9.4   ?    ?   117.87   49.7001      53.3793    49.7001      25.7579     -130.3       
1 1 1 18 10 28 o 0 -2.2   9.7   ?    ?   37.8804  132.464      3.56017    132.464      21.0572     -47.5362     
1 1 1 18 10 29 o 0 -5.4   8.7   ?    ?   93.3012  -162.012     7.86082    17.9881      66.1665     17.9881      
1 1 1 18 10 30 o 0 30.1   9.5   ?    ?   143.129  11.359       178.557    11.359       91.1584     11.359       
1 1 1 18 10 31 o 0 44.6   10.2  ?    ?   321.575  -21.6582     178.356    -21.6582     4.6855      158.342      
1 1 1 18 10 32 o 0 87.2   13    ?    ?   367.218  -69.0031     321.499    -69.0031     134.1       -69.0031     
1 1 1 18 11 0  o 0 16.8   6.6   ?    ?   89.4367  -180         25.919     180          28.0356     1.13089e-13  
1 1 1 18 11 1  f 1 22.3   4.9   ?    ?   401.923  -29.3488     38.8385    150.651      280.711     150.651      
1 1 1 18 11 2  f 1 53.7   5.7   ?    ?   396.984  159.729      104.396    159.729      134.404     -20.271      
1 1 1 18 11 3  o 0 25.4   5.1   ?    ?   344.271  57.2403      3.64288    57.2403      203.793     -122.76      
1 1 1 18 11 4  o 0 179.6  13    ?    ?   410.561  -85.8826     418.725    -85.8826     171.682     -85.8826     
1 1 1 18 11 5  o 0 129.5  10.4  ?    ?   412.68   -170.342     310.293    -170.342     62.4137     -170.342     
1 1 1 18 11 6  o 0 129.6  10.2  ?    ?   675.878  88.4394      168.553    88.4394      236.552     -91.5606     
1 1 1 18 11 7  o 0 19.3   5.1   ?    ?   215.119  -114.321     9.40535    -114.321     119.212     65.6794      
1 1 1 18 11 8  o 0 145    12.2  ?    ?   679.39   173.324      212.25     173.324      218.413     -6.67563     
1 1 1 18 11 9  o 0 400.2  31.5  ?    ?   739.109  -29.3039     612.721    -29.3039     145.659     -29.3039     
1 1 1 18 11 10 o 0 2.8    6.1   ?    ?   230.201  57.434       93.7278    -122.566     240.2       -122.566     
1 1 1 18 11 11 o 0 83.1   8.5   ?    ?   346.759  -113.941     234.426    -113.941     14.6051     -113.941     
1 1 1 18 11 12 o 0 109.8  10.4  ?    ?   508.093  34.9864      221.768    34.9864      99.0448     -145.014     
1 1 1 18 11 13 o 0 682.8  45.1  ?    ?   892.423  74.8485      837.602    74.8485      276.529     74.8485      
1 1 1 18 11 14 o 0 14.9   6.1   ?    ?   125.632  139.029      10.758     139.029      66.285      -40.9712     
1 1 1 18 11 15 o 0 34.1   7.8   ?    ?   296.311  176.023      83.2172    176.023      97.6057     -3.97663     
1 1 1 18 11 16 o 0 36.9   7.4   ?    ?   242.629  77.422       115.432    77.422       31.8618     -102.578     
1 1 1 18 11 17 o 0 42.1   7.3   ?    ?   325.762  108.252      119.939    108.252      66.2215     -71.7481     
1 1 1 18 11 18 o 0 13.5   7.3   ?    ?   79.8878  -5.2227      11.5489    -5.22269     33.8346     174.777      
1 1 1 18 11 19 o 0 14.1   6.9   ?    ?   108.38   24.2282      23.0665    24.2282      35.9614     -155.772     
1 1 1 18 11 20 o 0 62.3   8.6   ?    ?   120.926  117.858      239.694    117.858      174.272     117.858      
1 1 1 18 11 21 o 0 99.2   14.7  ?    ?   293.34   50.9403      323.035    50.9403      167.644     50.9403      
1 1 1 18 11 22 o 0 32     8.9   ?    ?   129.501  -145.585     130.237    -145.585     62.1521     -145.585     
1 1 1 18 11 23 o 0 18.3   8.6   ?    ?   232.923  82.4473      51.774     82.4473      105.95      -97.5527     
1 1 1 18 11 24 o 0 -8     8.5   ?    ?   111.504  121.926      31.5192    -58.074      107.894     -58.074      
1 1 1 18 11 25 o 0 30.1   8.8   ?    ?   18.2705  -7.45325     50.5816    -7.45325     38.179      -7.45325     
1 1 1 18 11 26 f 1 22.2   9.6   ?    ?   147.948  141.024      116.165    141.024      16.7182     141.024      
1 1 1 18 11 27 o 0 -8.2   10.3  ?    ?   110.425  125.598      11.4919    -54.4025     83.5648     -54.4025     
1 1 1 18 11 28 f 1 55.3   11.5  ?    ?   286.93   -32.7636     227.434    -32.7636     42.6027     -32.7636     
1 1 1 18 11 29 f 1 49     9.2   ?    ?   349.45   -165.971     174.87     -165.971     41.601      14.0286      
1 1 1 18 11 30 o 0 29.4   8.9   ?    ?   189.728  33.3578      157.034    33.3578      41.891      33.3578      
1 1 1 18 11 31 o 0 29.7   9.7   ?    ?   232.249  -110.033     138.994    -110.033     7.60111     -110.033     
1 1 1 18 11 32 o 0 0.7    11    ?    ?   53.528   -131.228     40.223     -131.228     13.0713     -131.228     
1 1 1 18 12 0  o 0 -4     6.5   ?    ?   73.6766  -180         2.32676    180          41.7008     9.89383e-14  
1 1 1 18 12 1  o 0 34.6   5.2   ?    ?   185.585  36.8788      90.3905    36.8788      20.5486     -143.121     
1 1 1 18 12 2  o 0 40.2   5.4   ?    ?   366.825  54.69        64.1314    54.69        155.106     -125.31      
1 1 1 18 12 3  o 0 120.3  9.6   ?    ?   438.749  -121.302     273.891    -121.302     11.8482     -121.302     
1 1 1 18 12 4  o 0 827.4  54.1  ?    ?   1340.45  -40.6973     725.612    -40.6973     124.597     139.303      
1 1 1 18 12 5  o 0 191.5  13.9  ?    ?   502.658  -63.6047     414.444    -63.6047     96.1201     -63.6047     
1 1 1 18 12 6  o 0 384.5  25.9  ?    ?   890.62   145.671      501.443    145.671      61.4719     -34.3293     
1 1 1 18 12 7  o 0 184    14.6  ?    ?   290.388  100.452      503.972    100.452      320.856     100.452      
1 1 1 18 12 8  o 0 253.9  19.2  ?    ?   631.282  160.413      450.988    160.413      49.8581     160.413      
1 1 1 18 12 9  o 0 324.8  24.1  ?    ?   714.326  -17.1008     513.652    -17.1008     61.0986     -17.1008     
1 1 1 18 12 10 o 0 120.7  12    ?    ?   477.367  -8.58406     266.641    -8.58406     34.8006     171.416      
1 1 1 18 12 11 o 0 30.7   6.1   ?    ?   227.739  -2.13568     78.3564    -2.13568     64.9393     177.864      
1 1 1 18 12 12 o 0 79.8   9.8   ?    ?   353.878  76.2563      227.818    76.2563      10.4802     76.2563      
1 1 1 18 12 13 o 0 58.4   8.3   ?    ?   192.367  66.6438      215.859    66.6438      98.2084     66.6438      
1 1 1 18 12 14 o 0 121.4  11.4  ?    ?   486.168  -53.5787     268.918    -53.5787     27.0841     126.421      
1 1 1 18 12 15 o 0 32.1   6.8   ?    ?   243.076  114.189      107.027    114.189      32.3906     -65.8114     
1 1 1 18 12 16 o 0 45.4   7.9   ?    ?   247.907  -67.8713     163.422    -67.8713     21.9651     -67.8713     
1 1 1 18 12 17 f 1 34.8   7.3   ?    ?   72.7951  -124.264     91.8414    -124.264     50.6385     -124.264     
1 1 1 18 12 18 o 0 165.1  15.9  ?    ?   629.968  -19.9212     313.512    -19.9212     29.3654     160.079      
1 1 1 18 12 19 o 0 31.5   7.3   ?    ?   98.0003  -14.0315     106.927    -14.0315     53.9199     -14.0315     
1 1 1 18 12 20 o 0 55.2   9.6   ?    ?   354.597  -29.9474     167.523    -29.9474     20.3587     150.053      
1 1 1 18 12 21 o 0 59.5   9.7   ?    ?   293.717  -33.1662     206.557    -33.1662     52.0286     -33.1662     
1 1 1 18 12 22 o 0 173.3  17.2  ?    ?   563.1    -53.5706     345.516    -53.5706     37.9037     -53.5706     
1 1 1 18 12 23 o 0 28.3   8.3   ?    ?   340.894  138.038      68.9524    138.038      160.322     -41.9625     
1 1 1 18 12 24 o 0 10.1   10.8  ?    ?   90.531   -50.8932     40.623     -50.8932     20.9682     129.107      
1 1 1 18 12 25 o 0 33.3   9.5   ?    ?   182.195  -148.901     181.316    -148.901     58.1959     -148.901     
1 1 1 18 12 26 o 0 28.6   9.1   ?    ?   273.506  79.5478      101.43     79.5478      81.6555     -100.452     
1 1 1 18 12 27 o 0 25     9.5   ?    ?   172.346  -122.68      131.041    -122.68      19.3011     -122.68      
1 1 1 18 12 28 o 0 -2.9   9.7   ?    ?   74.1231  102.957      5.37458    102.957      40.8672     -77.0431     
1 1 1 18 12 29 o 0 7      8.5   ?    ?   166.594  -2.86769     26.0856    -2.86769     75.5343     177.132      
1 1 1 18 12 30 o 0 -9.1   10    ?    ?   40.5325  179.089      6.23975    179.089      16.8229     -0.910687    
1 1 1 18 12 31 o 0 22.8   10.3  ?    ?   181.018  76.3331      128.283    76.3331      35.877      76.3331      
1 1 1 18 13 0  o 0 180.1  18.7  ?    ?   401.106  -180         368.27     180          115.93      180          
1 1 1 18 13 1  o 0 12.1   5     ?    ?   16.8821  54.7441      1.99218    -125.256     12.619      -125.256     
1 1 1 18 13 2  o 0 39.1   5.7   ?    ?   215.393  -134.714     113.83     -134.714     21.7584     45.2864      
1 1 1 18 13 3  o 0 111.9  9.1   ?    ?   334.071  -93.0233     322.587    -93.0233     110.22      -93.0233     
1 1 1 18 13 4  o 0 28.8   6.2   ?    ?   164.034  -150.463     76.3687    -150.463     27.8108     29.5369      
1 1 1 18 13 5  o 0 491.7  35.1  ?    ?   786.498  74.6497      696.029    74.6497      197.195     74.6497      
1 1 1 18 13 6  o 0 198.1  14.5  ?    ?   676.066  -69.0267     321.478    -69.0267     106.564     110.973      
1 1 1 18 13 7  o 0 228.1  18.8  ?    ?   653.25   124.508      389.623    124.508      23.0947     -55.4916     
1 1 1 18 13 8  f 1 996.8  75.5  ?    ?   1478.37  -70.7303     762.804    -70.7303     166.509     109.27       
1 1 1 18 13 9  o 0 310.3  25.1  ?    ?   795.416  -86.0944     437.772    -86.0944     62.113      93.9056      
1 1 1 18 13 10 o 0 240.7  25    ?    ?   607.487  88.7073      442.78     88.7073      69.8553     88.7073      
1 1 1 18 13 11 o 0 198.6  17.2  ?    ?   451.992  22.9831      454.357    22.9831      177.846     22.9831      
1 1 1 18 13 12 o 0 28.3   6.4   ?    ?   356.911  148.206      27.6614    148.206      189.859     -31.7938     
1 1 1 18 13 13 o 0 175.8  14.6  ?    ?   710.187  -165.553     260.896    -165.553     170.161     14.4475      
1 1 1 18 13 14 o 0 114.1  12    ?    ?   789.458  4.31583      102.471    4.31583      349.106     -175.684     
1 1 1 18 13 15 o 0 41.4   7.2   ?    ?   277.503  -76.4939     136.396    -76.4939     21.5862     103.506      
1 1 1 18 13 16 o 0 172.7  15.3  ?    ?   748.058  4.84779      252.819    4.84779      170.882     -175.152     
1 1 1 18 13 17 o 0 44.8   7.6   ?    ?   111.089  152.187      171.303    152.187      110.928     152.187      
1 1 1 18 13 18 o 0 93.9   10.4  ?    ?   521.526  -153.876     201.852    -153.876     79.9376     26.124       
1 1 1 18 13 19 o 0 16.8   6.8   ?    ?   88.9545  -54.4735     41.2735    -54.4735     5.82979     125.526      
1 1 1 18 13 20 o 0 40.6   8.4   ?    ?   337.715  -94.4624     118.576    -94.4624     59.0714     85.5376      
1 1 1 18 13 21 o 0 15.2   7.9   ?    ?   109.263  33.3559      43.5579    33.3559      16.1488     -146.644     
1 1 1 18 13 22 o 0 47     10.1  ?    ?   277.652  -166.108     201.001    -166.108     14.1141     -166.108     
1 1 1 18 13 23 o 0 35.6   8.9   ?    ?   122.113  -142.482     207.955    -142.482     124.771     -142.482     
1 1 1 18 13 24 o 0 -0.8   8.6   ?    ?   47.6335  -61.5038     0.844845   118.496      33.0916     118.496      
1 1 1 18 13 25 o 0 25.4   9.3   ?    ?   262.676  -27.1854     87.2262    -27.1854     89.0199     152.815      
1 1 1 18 13 26 o 0 18.2   15    ?    ?   230.19   -6.99346     61.253     -6.99346     88.4213     173.007      
1 1 1 18 13 27 o 0 13.2   12    ?    ?   169.107  -121.686     61.1443    -121.686     44.7178     58.3138      
1 1 1 18 13 28 o 0 4.9    9.4   ?    ?   151.175  109.088      25.1679    109.088      67.42       -70.9117     
1 1 1 18 13 29 o 0 1      8.4   ?    ?   35.4182  21.7841      14.2277    21.7841      6.01861     -158.216     
1 1 1 18 13 30 o 0 53.9   9.8   ?    ?   284.181  -58.4916     235.742    -58.4916     75.1736     -58.4916     
1 1 1 18 13 31 o 0 44.1   11.1  ?    ?   314.649  91.3198      184.994    91.3198      25.4866     91.3198      
1 1 1 18 14 1  o 0 50     6.3   ?    ?   417.08   81.5528      84.6218    81.5528      177.979     -98.4472     
1 1 1 18 14 2  o 0 23.4   5.6   ?    ?   202.766  -173.748     43.9876    -173.748     83.7126     6.25192      
1 1 1 18 14 3  o 0 332.9  24.2  ?    ?   912.185  80.1159      402.904    80.1159      171.448     -99.8841     
1 1 1 18 14 4  o 0 125.8  10.3  ?    ?   652.645  95.6157      177.637    95.6157      233.009     -84.3843     
1 1 1 18 14 5  f 1 109.4  10.2  ?    ?   522.257  -101.321     212.467    -101.321     114.919     78.6786      
1 1 1 18 14 6  o 0 38.8   5.9   ?    ?   202.44   -48.7095     121.721    -48.7095     5.31186     131.291      
1 1 1 18 14 7  o 0 9.2    6     ?    ?   116.385  -100.331     24.5229    79.6691      97.4136     79.6691      
1 1 1 18 14 8  o 0 207.2  19.5  ?    ?   636.833  -168.518     365.935    -168.518     23.9806     11.4822      
1 1 1 18 14 9  o 0 232.8  21.9  ?    ?   582.435  -80.7642     441.957    -80.7642     86.2951     -80.7642     
1 1 1 18 14 10 o 0 11.3   6.7   ?    ?   201.276  -110.311     24.2009    69.6889      146.741     69.6889      
1 1 1 18 14 11 o 0 13.3   6.3   ?    ?   132.947  75.8905      1.06786    75.8905      79.6031     -104.11      
1 1 1 18 14 12 f 1 75.5   8.5   ?    ?   73.4151  148.148      224.518    148.148      182.613     148.148      
1 1 1 18 14 13 o 0 349.1  26.1  ?    ?   629.097  -118.658     611.943    -118.658     253.366     -118.658     
1 1 1 18 14 14 o 0 72.7   8.5   ?    ?   331.171  86.0268      225.648    86.0268      37.7018     86.0268      
1 1 1 18 14 15 o 0 39.4   7.1   ?    ?   260.135  -87.35       142.388    -87.35       0.623365    -87.35       
1 1 1 18 14 16 o 0 46.5   7.6   ?    ?   262.711  50.5172      169.635    50.5172      27.1861     50.5172      
1 1 1 18 14 17 o 0 123.6  12    ?    ?   470.18   73.8983      300.838    73.8983      47.2695     73.8983      
1 1 1 18 14 18 f 1 92.5   10.1  ?    ?   439.182  -146.77      243.382    -146.77      11.7611     -146.77      
1 1 1 18 14 19 o 0 7.1    7.1   ?    ?   98.3667  -162.111     1.95671    17.8895      53.6476     17.8895      
1 1 1 18 14 20 o 0 44.6   9.7   ?    ?   247.277  -160.868     167.645    -160.868     32.5962     -160.868     
1 1 1 18 14 21 o 0 12.8   8.6   ?    ?   88.7647  -125.802     34.9103    -125.802     24.8308     54.1983      
1 1 1 18 14 22 o 0 33     9.1   ?    ?   288.819  21.0238      126.211    21.0238      70.6087     -158.976     
1 1 1 18 14 23 o 0 9.6    7.3   ?    ?   211.363  -70.2302     4.75719    -70.2302     138.456     109.77       
1 1 1 18 14 24 o 0 24.8   8.5   ?    ?   182.014  61.9636      126.03     61.9636      3.73583     61.9636      
1 1 1 18 14 25 o 0 43.8   9.5   ?    ?   277.632  125.987      189.917    125.987      9.05103     125.987      
1 1 1 18 14 26 o 0 99.2   13.1  ?    ?   478.195  -163.677     274.675    -163.677     25.4135     16.3233      
1 1 1 18 14 27 o 0 124.8  15    ?    ?   546.627  -57.2277     305.532    -57.2276     30.2616     122.772      
1 1 1 18 14 28 f 1 27.4   15.6  ?    ?   84.0821  -121.187     135.317    -121.187     84.3355     -121.187     
1 1 1 18 14 29 o 0 62     11    ?    ?   367.124  -97.1171     221.675    -97.1171     13.3728     -97.1171     
1 1 1 18 14 30 o 0 50.9   11.9  ?    ?   215.585  146.13       256.809    146.13       146.997     146.13       
1 1 1 18 15 0  o 0 445.3  48.7  ?    ?   787.664  -4.03191e-15 563.668    0            73.4281     2.69189e-14  
1 1 1 18 15 1  o 0 50.6   6.5   ?    ?   204.072  0.490182     170.183    0.490182     43.0332     0.490182     
1 1 1 18 15 2  o 0 24.7   6.4   ?    ?   329.002  -34.1336     21.3564    -34.1336     179.611     145.866      
1 1 1 18 15 3  o 0 13.7   5.4   ?    ?   245.224  163.402      20.7668    -16.5983     170.56      -16.5983     
1 1 1 18 15 4  o 0 424.9  28.8  ?    ?   636.186  -112.198     699.699    -112.198     311.274     -112.198     
1 1 1 18 15 5  o 0 12.1   5.5   ?    ?   176.155  45.6238      13.2912    -134.376     120.743     -134.376     
1 1 1 18 15 6  o 0 49.6   7.6   ?    ?   251.231  94.5042      167.242    94.5042      14.201      94.5042      
1 1 1 18 15 7  o 0 44.3   8.1   ?    ?   281.196  -52.3436     134.196    -52.3436     36.7986     127.656      
1 1 1 18 15 8  o 0 136.5  13.3  ?    ?   390.982  165.973      353.894    165.973      116.647     165.973      
1 1 1 18 15 9  o 0 51     8.4   ?    ?   298.578  43.2082      152.701    43.2082      28.0225     -136.792     
1 1 1 18 15 10 o 0 30.2   7.3   ?    ?   248.419  -128.72      94.9852    -128.72      46.9399     51.2802      
1 1 1 18 15 11 o 0 -7.4   7.2   ?    ?   30.3231  -39.44       11.8858    140.56       29.1542     140.56       
1 1 1 18 15 12 o 0 46.5   8.5   ?    ?   214.144  170.86       175.733    170.86       54.2156     170.86       
1 1 1 18 15 13 o 0 129.4  14    ?    ?   308.187  36.7449      393.074    36.7449      225.01      36.7449      
1 1 1 18 15 14 o 0 13.7   7.1   ?    ?   148.834  168.764      20.6607    168.764      60.1579     -11.2364     
1 1 1 18 15 15 o 0 4.4    7.2   ?    ?   44.094   -109.421     6.14604    70.5789      29.9793     70.5789      
1 1 1 18 15 16 o 0 63.3   9.1   ?    ?   392.72   -103.958     178.568    -103.958     29.7163     76.0424      
1 1 1 18 15 17 o 0 67.1   9.8   ?    ?   223.544  -111.711     257.968    -111.711     140.042     -111.711     
1 1 1 18 15 18 o 0 282.7  24.9  ?    ?   756.766  106.814      428.014    106.814      12.7614     106.814      
1 1 1 18 15 19 o 0 3      9.3   ?    ?   100.935  80.9091      3.90699    -99.0909     72.2196     -99.0909     
1 1 1 18 15 20 o 0 35.4   8.7   ?    ?   266.579  121.336      154.076    121.336      28.769      -58.6645     
1 1 1 18 15 21 o 0 14.4   8     ?    ?   159.65   156.154      57.0921    156.154      51.6465     -23.8464     
1 1 1 18 15 22 o 0 154.2  13.9  ?    ?   278.381  -61.8501     548.273    -61.8501     359.661     -61.8501     
1 1 1 18 15 23 o 0 -6.3   6.9   ?    ?   68.3719  -89.1727     20.5593    90.8273      66.5183     90.8273      
1 1 1 18 15 24 o 0 29.8   9.8   ?    ?   242.58   158.917      129.062    158.917      29.1202     -21.0825     
1 1 1 18 15 25 o 0 -11.6  9.8   ?    ?   21.4493  91.4497      2.01797    -88.5503     15.4982     -88.5503     
1 1 1 18 15 26 o 0 63.2   10.9  ?    ?   372.493  -123.975     215.53     -123.975     16.3792     56.0252      
1 1 1 18 15 27 f 1 24.5   9.4   ?    ?   247.186  106.066      96.3757    106.066      53.8851     -73.9339     
1 1 1 18 15 28 o 0 18.5   11    ?    ?   160.063  -134.536     98.1975    -134.536     7.09437     -134.536     
1 1 1 18 15 29 o 0 23.6   8.8   ?    ?   189.945  49.7176      136.583    49.7176      39.4705     49.7176      
1 1 1 18 16 0  o 0 206.4  21.7  ?    ?   401.884  -1.51677e-14 381.275    0            138.903     2.64662e-14  
1 1 1 18 16 1  o 0 297.9  20.9  ?    ?   779.065  -26.8318     432.597    -26.8318     37.8684     153.168      
1 1 1 18 16 2  o 0 39.8   6.4   ?    ?   256.494  -78.7571     124.064    -78.7571     30.9469     101.243      
1 1 1 18 16 3  o 0 170    14.6  ?    ?   608.162  -85.228      306.531    -85.228      61.0998     94.772       
1 1 1 18 16 4  o 0 32.1   6.5   ?    ?   235.127  128.233      94.878     128.233      47.2201     -51.7666     
1 1 1 18 16 5  o 0 960.1  62.9  ?    ?   1409.34  99.4272      773.437    99.4272      77.6921     -80.5728     
1 1 1 18 16 6  f 1 36.5   7.1   ?    ?   181.814  -74.4449     139.901    -74.4449     36.3506     -74.4449     
1 1 1 18 16 7  o 0 106.8  13.2  ?    ?   542.92   99.5321      216.108    99.5321      93.4191     -80.4679     
1 1 1 18 16 8  o 0 383.3  30.8  ?    ?   774.389  93.6601      576.537    93.6601      135.911     93.6601      
1 1 1 18 16 9  o 0 268.6  25.5  ?    ?   486.217  171.026      561.68     171.026      285.671     171.026      
1 1 1 18 16 10 o 0 27.3   8.3   ?    ?   234.195  -46.0122     81.9661    -46.0122     50.6174     133.988      
1 1 1 18 16 11 o 0 55.1   9.4   ?    ?   298.459  -174.733     188.027    -174.733     25.516      -174.733     
1 1 1 18 16 12 o 0 57.7   9.8   ?    ?   358.047  -50.7607     170.813    -50.7607     23.4712     129.239      
1 1 1 18 16 13 o 0 59.6   8.6   ?    ?   339.096  78.3084      185.626    78.3084      2.32478     78.3084      
1 1 1 18 16 14 o 0 55.7   8.6   ?    ?   277.71   -150.335     202.777    -150.335     55.3579     -150.335     
1 1 1 18 16 15 o 0 3.5    7.6   ?    ?   94.9158  83.3578      10.7551    -96.6422     60.9113     -96.6422     
1 1 1 18 16 16 o 0 118.2  12.3  ?    ?   490.858  -106.704     280.053    -106.704     21.9449     -106.704     
1 1 1 18 16 17 o 0 87.5   10.4  ?    ?   351.992  -64.2308     261.108    -64.2308     68.4999     -64.2308     
1 1 1 18 16 18 o 0 107.3  11.8  ?    ?   399.859  94.2285      355.438    94.2285      85.4489     94.2285      
1 1 1 18 16 19 o 0 -0.4   7.9   ?    ?   93.6773  -147.745     12.2763    32.2546      76.4073     32.2546      
1 1 1 18 16 20 o 0 8.5    8.3   ?    ?   116.69   132.817      24.5992    132.817      54.765      -47.1828     
1 1 1 18 16 21 o 0 15.1   9.3   ?    ?   161.558  -175.854     64.646     -175.854     44.7089     4.1458       
1 1 1 18 16 22 o 0 44     9.1   ?    ?   274.094  22.8689      189.231    22.8689      5.0776      22.8689      
1 1 1 18 16 23 o 0 23.1   8     ?    ?   168.023  71.4958      127.149    71.4958      17.5837     71.4958      
1 1 1 18 16 24 f 1 -0.2   7.9   ?    ?   153.986  -141.311     12.8618    38.6888      109.437     38.6888      
1 1 1 18 16 25 o 0 -6.3   8.4   ?    ?   114.638  113.392      16.7266    -66.6082     88.1718     -66.6082     
1 1 1 18 16 26 o 0 80.6   13.3  ?    ?   412.164  -20.8367     249.23     -20.8367     2.357       159.163      
1 1 1 18 16 27 o 0 8.3    11.3  ?    ?   178.125  111.249      43.0717    111.249      58.5258     -68.7512     
1 1 1 18 16 28 o 0 -7.9   8.6   ?    ?   109.975  87.3338      10.9375    87.3338      45.4399     -92.6662     
1 1 1 18 17 0  o 0 294.5  33.4  ?    ?   773.46   -1.20317e-14 447.661    0            11.2369     4.67291e-13  
1 1 1 18 17 1  o 0 76.8   8.7   ?    ?   455.774  -160.967     177.777    -160.967     79.7981     19.0327      
1 1 1 18 17 2  f 1 13.2   5.9   ?    ?   66.7875  74.0231      9.50035    74.0231      28.1849     -105.977     
1 1 1 18 17 3  o 0 51.4   6.6   ?    ?   417.645  96.7803      112.843    96.7803      123.538     -83.2197     
1 1 1 18 17 4  f 1 147.4  13.3  ?    ?   704.867  147.017      225.753    147.017      172.16      -32.9834     
1 1 1 18 17 5  o 0 173.1  15.5  ?    ?   774.533  -19.098      239.732    -19.098      198.422     160.902      
1 1 1 18 17 6  o 0 4.9    6.4   ?    ?   166.684  -13.9295     38.5344    166.071      132.739     166.071      
1 1 1 18 17 7  o 0 -2.7   7.3   ?    ?   26.0181  -10.2234     8.58536    169.777      23.2699     169.777      
1 1 1 18 17 8  o 0 254.9  21.8  ?    ?   723.603  26.3992      426.167    26.3992      32.8565     26.3992      
1 1 1 18 17 9  o 0 100.1  11.8  ?    ?   377.563  113.57       288.852    113.57       84.0782     113.57       
1 1 1 18 17 10 o 0 13.3   6.9   ?    ?   127.599  173.227      19.0937    173.227      49.9325     -6.77331     
1 1 1 18 17 11 o 0 30     7.5   ?    ?   132.388  -163.078     112.646    -163.078     41.2399     -163.078     
1 1 1 18 17 12 o 0 130.2  12.9  ?    ?   433.882  -11.2066     338.313    -11.2066     108.306     -11.2066     
1 1 1 18 17 13 o 0 375    29.8  ?    ?   731.765  -75.5843     592.086    -75.5843     205.605     -75.5843     
1 1 1 18 17 14 o 0 18.3   7.9   ?    ?   307.506  -173.273     15.4434    -173.273     146.302     6.72669      
1 1 1 18 17 15 o 0 4.2    7.4   ?    ?   97.817   79.8182      6.30797    -100.182     59.8941     -100.182     
1 1 1 18 17 16 o 0 4.5    5.8   ?    ?   98.2715  36.9213      14.34      -143.079     80.826      -143.079     
1 1 1 18 17 17 o 0 82.3   9.2   ?    ?   256.661  51.1096      356.306    51.1096      183.573     51.1096      
1 1 1 18 17 18 o 0 26.9   6.8   ?    ?   202.5    -123.703     139.75     -123.702     1.5111      -123.702     
1 1 1 18 17 19 o 0 4.9    8.4   ?    ?   147.628  57.0625      0.422141   -122.937     100.59      -122.937     
1 1 1 18 17 20 o 0 49.1   10.1  ?    ?   204.772  71.9497      249.501    71.9497      111.159     71.9497      
1 1 1 18 17 21 o 0 8.2    8.1   ?    ?   171.034  -176.45      20.5544    -176.45      91.6979     3.55014      
1 1 1 18 17 22 o 0 20.7   8     ?    ?   138.509  97.0337      117.765    97.0337      27.5318     97.0337      
1 1 1 18 17 23 o 0 2.8    8.9   ?    ?   25.504   -8.17743     7.6473     -8.17743     8.38193     171.823      
1 1 1 18 17 24 o 0 4.9    9.4   ?    ?   65.6327  -96.3608     31.09      -96.3608     9.35271     83.6392      
1 1 1 18 17 25 o 0 62     11.6  ?    ?   364.123  -148.54      213.321    -148.54      9.06713     31.4603      
1 1 1 18 17 26 o 0 126.2  16.5  ?    ?   442.939  -9.22264     368.422    -9.22264     115.505     -9.22264     
1 1 1 18 17 27 o 0 32.8   10.5  ?    ?   255.417  44.0305      153.847    44.0305      22.696      44.0305      
1 1 1 18 18 0  o 0 114.4  14.2  ?    ?   470.185  180          276.437    180          14.3515     -180         
1 1 1 18 18 1  o 0 88.7   9.5   ?    ?   545.686  -166.081     163.584    -166.081     141.142     13.9195      
1 1 1 18 18 2  o 0 14.7   5.6   ?    ?   272.748  136.152      1.09925    136.152      146.031     -43.8477     
1 1 1 18 18 3  o 0 32.7   6.4   ?    ?   268.192  169.948      108.634    169.948      36.1439     -10.0522     
1 1 1 18 18 4  o 0 349.9  24.2  ?    ?   848.562  -80.5358     501.559    -80.5358     43.3799     -80.5358     
1 1 1 18 18 5  o 0 84.7   10.3  ?    ?   299.581  -59.1779     280.004    -59.1779     118.289     -59.1779     
1 1 1 18 18 6  o 0 18.2   8.5   ?    ?   153.709  50.4689      46.262     50.4689      36.6499     -129.531     
1 1 1 18 18 7  o 0 -1.5   7.2   ?    ?   123.279  -44.9132     34.8166    135.087      101.236     135.087      
1 1 1 18 18 8  o 0 185.3  18.4  ?    ?   686.982  -34.0217     317.286    -34.0217     52.2493     145.978      
1 1 1 18 18 9  o 0 14.9   7.6   ?    ?   264.42   -128.494     10.5351    -128.494     129.443     51.506       
1 1 1 18 18 10 o 0 20.4   7.2   ?    ?   344.81   137.643      14.8139    137.643      167.279     -42.3575     
1 1 1 18 18 11 o 0 80.1   9.7   ?    ?   243.515  4.36719      291.13     4.36719      162.893     4.36719      
1 1 1 18 18 12 o 0 81.4   10    ?    ?   418.904  126.949      219.1      126.949      0.787846    -53.0512     
1 1 1 18 18 13 o 0 270.1  20.6  ?    ?   691.328  -60.4259     446.275    -60.4259     68.0001     -60.4259     
1 1 1 18 18 14 o 0 78.4   8.6   ?    ?   498.71   -112.461     201.615    -112.461     135.68      67.5386      
1 1 1 18 18 15 o 0 -5.1   6     ?    ?   72.0046  176.885      29.6964    -3.11521     78.1817     -3.11521     
1 1 1 18 18 16 o 0 4.3    5.9   ?    ?   148.511  173.862      18.8296    -6.13775     120.356     -6.13775     
1 1 1 18 18 17 o 0 83.4   9.1   ?    ?   422.859  152.45       260.591    152.45       26.9833     -27.5497     
1 1 1 18 18 18 o 0 104.9  11.2  ?    ?   371.554  -23.1996     358.583    -23.1996     106.766     -23.1996     
1 1 1 18 18 19 o 0 -2.6   6.7   ?    ?   33.7352  -100.752     7.14815    79.2483      29.8738     79.2483      
1 1 1 18 18 20 o 0 16.3   6.9   ?    ?   194.62   -127.4       69.6241    -127.4       57.8011     52.6         
1 1 1 18 18 21 o 0 91.4   10.1  ?    ?   452.685  -61.75       266.575    -61.75       27.763      118.25       
1 1 1 18 18 22 o 0 31.1   8.4   ?    ?   122.363  121.164      194.698    121.164      117.903     121.164      
1 1 1 18 18 23 o 0 41.6   10.9  ?    ?   254.447  128.899      190.805    128.899      34.1628     128.899      
1 1 1 18 18 24 f 1 10.1   9.3   ?    ?   147.758  26.4008      49.2062    26.4008      40.7661     -153.599     
1 1 1 18 18 25 o 0 26.1   10.8  ?    ?   284.621  90.3347      86.137     90.3347      76.3949     -89.6653     
1 1 1 18 18 26 o 0 83.5   13.9  ?    ?   467.632  109.905      253.947    109.905      13.6784     109.905      
1 1 1 18 19 0  o 0 100.2  13.3  ?    ?   448.986  -3.7101e-14  254.924    0            16.5283     5.35123e-13  
1 1 1 18 19 1  o 0 17.6   6     ?    ?   195.82   -127.79      40.2542    -127.79      63.936      52.2105      
1 1 1 18 19 2  o 0 18.8   6     ?    ?   175.629  170.839      53.9732    170.839      39.6156     -9.16117     
1 1 1 18 19 3  o 0 1.2    7.1   ?    ?   80.1531  20.91        18.3077    -159.09      61.0607     -159.09      
1 1 1 18 19 4  o 0 10.1   7.3   ?    ?   119.902  156.294      2.84183    156.294      61.1417     -23.7057     
1 1 1 18 19 5  o 0 129.2  12.1  ?    ?   681.372  -156.48      212.218    -156.48      146.325     23.5201      
1 1 1 18 19 6  o 0 -10.5  8.7   ?    ?   48.478   -30.8026     14.2964    149.197      39.7926     149.197      
1 1 1 18 19 7  f 1 49.8   10.2  ?    ?   390.852  -80.2677     129.949    -80.2677     74.883      99.7323      
1 1 1 18 19 8  o 0 42     8.7   ?    ?   227.005  -68.0983     165.83     -68.0983     46.7278     -68.0983     
1 1 1 18 19 9  o 0 190.8  17.6  ?    ?   579.56   29.8699      383.991    29.8699      80.478      29.8699      
1 1 1 18 19 10 o 0 12.8   7     ?    ?   64.9276  -45.0636     23.5507    -45.0636     11.9408     134.936      
1 1 1 18 19 11 o 0 3.3    6.1   ?    ?   121.661  -2.5588      19.2498    177.441      85.5749     177.441      
1 1 1 18 19 12 f 1 8.6    5.9   ?    ?   137.518  92.7944      3.4266     92.7944      89.0861     -87.2056     
1 1 1 18 19 13 o 0 87.6   9     ?    ?   308.04   170.492      346.885    170.492      139.85      170.492      
1 1 1 18 19 14 o 0 41.1   6.8   ?    ?   206.136  -91.7555     217.415    -91.7555     76.6349     -91.7555     
1 1 1 18 19 15 o 0 0.1    6     ?    ?   152.598  75.2331      41.5906    -104.767     145.358     -104.767     
1 1 1 18 19 16 o 0 -7.4   5.8   ?    ?   76.5951  -132.452     30.5952    47.5479      82.5481     47.5479      
1 1 1 18 19 17 o 0 44.7   7.3   ?    ?   302.357  123.347      180.847    123.347      23.1809     -56.6525     
1 1 1 18 19 18 o 0 17.9   6.6   ?    ?   223.187  58.6325      69.4616    58.6325      77.0496     -121.367     
1 1 1 18 19 19 o 0 -2.1   6.5   ?    ?   115.648  -57.5469     23.3731    122.453      98.8348     122.453      
1 1 1 18 19 20 o 0 10.3   6.3   ?    ?   144.422  -13.5793     43.0296    -13.5793     48.0159     166.421      
1 1 1 18 19 21 o 0 -14.3  6.7   ?    ?   127.36   -52.3456     47.2662    127.654      127.001     127.654      
1 1 1 18 19 22 o 0 142.6  14.9  ?    ?   426.876  154.061      424.207    154.061      161.926     154.061      
1 1 1 18 19 23 o 0 4.5    7.7   ?    ?   71.7897  57.8805      32.2511    57.8805      9.04992     -122.12      
1 1 1 18 19 24 o 0 15.5   8.3   ?    ?   146.431  39.8747      90.1485    39.8747      6.60766     39.8747      
1 1 1 18 19 25 o 0 19.9   10.2  ?    ?   196.62   68.9364      104.348    68.9364      3.36622     68.9364      
1 1 1 18 20 0  o 0 135    24.7  ?    ?   689.679  -1.78861e-14 286.862    0            69.4797     180          
1 1 1 18 20 1  o 0 3.5    6.5   ?    ?   74.2471  121.657      10.7997    -58.3428     49.2512     -58.3428     
1 1 1 18 20 2  o 0 6      5.8   ?    ?   163.059  -64.9056     20.9655    115.094      105.56      115.094      
1 1 1 18 20 3  o 0 7.2    5.9   ?    ?   162.799  114.094      14.15      -65.9062     98.712      -65.9062     
1 1 1 18 20 4  o 0 46.5   7.1   ?    ?   445.581  151.341      92.8973    151.341      138.707     -28.6589     
1 1 1 18 20 5  o 0 37.3   7.8   ?    ?   212.836  51.5232      148.908    51.5232      38.2609     51.5232      
1 1 1 18 20 6  o 0 13.7   9.6   ?    ?   21.1879  -157.838     10.4491    -157.838     1.07084     22.1621      
1 1 1 18 20 7  o 0 -0.4   10.3  ?    ?   149.641  -103.478     15.5499    76.5225      96.8468     76.5225      
1 1 1 18 20 8  o 0 19.9   7.6   ?    ?   207.462  -77.5412     75.4938    -77.5412     64.2071     102.459      
1 1 1 18 20 9  f 1 63.8   8.7   ?    ?   271.616  -12.1926     279.895    -12.1926     97.7719     -12.1926     
1 1 1 18 20 10 f 1 -5.2   5.8   ?    ?   102.449  -5.65147     43.7179    174.349      112.266     174.349      
1 1 1 18 20 11 o 0 11.2   5.9   ?    ?   55.9942  137.533      28.4208    137.533      9.79951     -42.4672     
1 1 1 18 20 12 o 0 12.2   6     ?    ?   126.963  -95.7959     46.0788    -95.7959     40.3254     84.2041      
1 1 1 18 20 13 o 0 234.9  17.8  ?    ?   611.155  -140.554     517.935    -140.554     103.425     -140.554     
1 1 1 18 20 14 o 0 29.8   6.6   ?    ?   351.243  85.7949      75.2966    85.7949      162.545     -94.2051     
1 1 1 18 20 15 f 1 -1.3   6.1   ?    ?   97.631   92.7096      23.6531    -87.2904     89.3143     -87.2904     
1 1 1 18 20 16 o 0 9.4    6.1   ?    ?   126.403  44.0931      35.1857    44.0931      47.8043     -135.907     
1 1 1 18 20 17 o 0 3.7    6.3   ?    ?   157.207  54.7472      11.2922    -125.253     113.982     -125.253     
1 1 1 18 20 18 o 0 42.7   8.2   ?    ?   307.47   -91.3669     174.942    -91.3669     19.2817     88.6331      
1 1 1 18 20 19 o 0 13.5   7.1   ?    ?   90.1618  29.4786      70.0102    29.4786      13.3959     29.4786      
1 1 1 18 20 20 o 0 0.8    6.2   ?    ?   37.1719  -113.577     2.47173    -113.577     20.457      66.4234      
1 1 1 18 20 21 o 0 0.6    7     ?    ?   55.7079  -33.2306     5.16658    -33.2306     28.9596     146.769      
1 1 1 18 20 22 o 0 -2.2   7.2   ?    ?   108.645  -60.8653     1.51844    -60.8653     60.8311     119.135      
1 1 1 18 20 23 o 0 25.6   8     ?    ?   185.999  -56.3782     159.211    -56.3782     63.0228     -56.3782     
1 1 1 18 20 24 o 0 -2.5   8.2   ?    ?   124.148  -116.298     19.9148    -116.298     43.7532     63.7022      
1 1 1 18 21 0  o 0 123.6  17.1  ?    ?   644.93   180          340.006    180          86.6527     -6.58777e-14 
1 1 1 18 21 1  o 0 5.3    6.8   ?    ?   258.733  20.484       58.2017    -159.516     229.811     -159.516     
1 1 1 18 21 2  f 1 -4.9   6.9   ?    ?   128.107  31.1726      46.7454    -148.827     131.666     -148.827     
1 1 1 18 21 3  o 0 21.3   6.3   ?    ?   233.692  -77.118      81.8609    -77.118      73.6766     102.882      
1 1 1 18 21 4  o 0 441.4  38.7  ?    ?   791.631  18.9324      735.769    18.9324      208.405     18.9324      
1 1 1 18 21 5  o 0 -3.7   12.1  ?    ?   110.292  55.3735      9.47688    -124.627     82.9798     -124.627     
1 1 1 18 21 6  o 0 59.7   9.4   ?    ?   273.696  -121.107     261.509    -121.107     75.4565     -121.107     
1 1 1 18 21 7  o 0 41.7   9.3   ?    ?   243.261  123.139      196.42     123.139      31.1535     123.139      
1 1 1 18 21 8  o 0 102.2  14.1  ?    ?   412.686  -134.472     320.942    -134.472     40.8691     -134.472     
1 1 1 18 21 9  o 0 171.3  14.8  ?    ?   373.138  -52.1401     533.494    -52.1401     280.645     -52.1401     
1 1 1 18 21 10 o 0 27     6.9   ?    ?   163.928  109.872      152.913    109.872      42.0491     109.872      
1 1 1 18 21 11 o 0 -5.6   5.7   ?    ?   79.5102  50.7082      29.6321    -129.292     83.393      -129.292     
1 1 1 18 21 12 o 0 57.7   7.5   ?    ?   303.359  173.747      237.241    173.747      32.7081     173.747      
1 1 1 18 21 13 o 0 195.5  15.5  ?    ?   603.941  178.747      434.501    178.747      28.6414     178.747      
1 1 1 18 21 14 o 0 44.3   7.2   ?    ?   197.377  53.0326      239.989    53.0326      110.712     53.0326      
1 1 1 18 21 15 f 1 -2.4   6.2   ?    ?   132.366  -43.7475     31.9988    136.252      118.114     136.252      
1 1 1 18 21 16 o 0 -0.7   6     ?    ?   76.7845  -32.8836     9.4123     147.116      57.8906     147.116      
1 1 1 18 21 17 o 0 28.8   7.4   ?    ?   157.448  -177.958     176.011    -177.958     77.1036     -177.958     
1 1 1 18 21 18 o 0 16     6.9   ?    ?   30.4164  -15.6188     50.8035    -15.6188     32.0158     -15.6188     
1 1 1 18 21 19 o 0 1.7    7     ?    ?   141.554  -151.491     1.54574    28.5094      88.4646     28.5094      
1 1 1 18 21 20 o 0 0.6    6.9   ?    ?   119.326  -132.049     8.49414    -132.049     60.2129     47.9511      
1 1 1 18 21 21 o 0 4.9    7.3   ?    ?   97.8258  136.911      32.0599    136.911      23.8822     -43.0887     
1 1 1 18 21 22 o 0 136.9  15.3  ?    ?   412.053  -134.748     435.6      -134.748     223.154     -134.748     
1 1 1 18 22 0  o 0 16.1   9.1   ?    ?   319.721  -180         97.6098    180          115.054     6.13094e-14  
1 1 1 18 22 1  o 0 2.4    5.7   ?    ?   102.146  -161.206     17.0134    18.7945      85.149      18.7945      
1 1 1 18 22 2  o 0 -9     6.4   ?    ?   43.2034  -27.018      17.179     152.982      46.0625     152.982      
1 1 1 18 22 3  o 0 63.3   9.2   ?    ?   308.912  26.9001      252.006    26.9001      45.1355     26.9001      
1 1 1 18 22 4  f 1 20.9   7.2   ?    ?   116.32   18.3044      111.078    18.3044      33.2936     18.3044      
1 1 1 18 22 5  o 0 59     11.7  ?    ?   475.581  -119.126     127.753    -119.126     191.291     60.8739      
1 1 1 18 22 6  o 0 0.1    7.3   ?    ?   55.102   -80.6601     4.43829    99.3399      41.4887     99.3399      
1 1 1 18 22 7  o 0 -3.9   7.8   ?    ?   28.8442  123.572      4.76498    -56.4278     24.1521     -56.4278     
1 1 1 18 22 8  o 0 103.9  12.1  ?    ?   400.611  -108.01      332.544    -108.01      63.5155     -108.01      
1 1 1 18 22 9  f 1 11.1   6.6   ?    ?   76.8447  -133.574     38.7512    -133.574     12.6515     46.4264      
1 1 1 18 22 10 o 0 10.7   5.8   ?    ?   151.727  56.7987      32.7268    56.7987      68.8433     -123.201     
1 1 1 18 22 11 o 0 3.6    5.9   ?    ?   66.4078  -47.1163     2.55673    -47.1163     40.8339     132.884      
1 1 1 18 22 12 o 0 46.8   7.5   ?    ?   153.878  27.2012      268.25     27.2012      167.979     27.2012      
1 1 1 18 22 13 o 0 17.9   6.3   ?    ?   100.188  118.136      102.928    118.136      37.8498     118.136      
1 1 1 18 22 14 o 0 7.3    6.3   ?    ?   299.944  124.364      49.0766    -55.636      237.849     -55.636      
1 1 1 18 22 15 o 0 -4.5   6.1   ?    ?   45.4867  -25.1142     9.9441     154.886      38.4557     154.886      
1 1 1 18 22 16 o 0 23.2   7     ?    ?   185.431  87.4296      135.401    87.4296      21.0035     87.4296      
1 1 1 18 22 17 o 0 76.5   10.6  ?    ?   378.202  95.5594      265.009    95.5594      32.8388     95.5594      
1 1 1 18 22 18 o 0 8.7    8.1   ?    ?   67.1587  44.2665      52.2634    44.2665      13.5658     44.2665      
1 1 1 18 22 19 o 0 7.9    7.3   ?    ?   130.101  -73.3953     45.1978    -73.3953     29.3287     106.605      
1 1 1 18 22 20 o 0 1.7    7.5   ?    ?   65.58    16.1545      32.3282    16.1545      1.57502     -163.845     
1 1 1 18 23 0  o 0 -11.8  11    ?    ?   38.6741  -8.77986e-14 4.8046     0            20.5892     180          
1 1 1 18 23 1  o 0 31.4   7.3   ?    ?   130.204  -46.503      185.711    -46.503      99.9537     -46.503      
1 1 1 18 23 2  o 0 -4.7   6     ?    ?   49.0383  -114.961     15.5467    65.0395      47.9257     65.0395      
1 1 1 18 23 3  o 0 6.2    5.9   ?    ?   194.746  92.3877      17.9991    -87.6123     146.833     -87.6123     
1 1 1 18 23 4  o 0 103.7  10.7  ?    ?   332.71   -177.175     370.915    -177.175     150.509     -177.175     
1 1 1 18 23 5  o 0 2.5    7.9   ?    ?   182.23   -105.915     22.8836    74.0852      143.704     74.0852      
1 1 1 18 23 6  o 0 21.1   8.1   ?    ?   240.607  93.0336      78.4862    93.0336      77.6204     -86.9664     
1 1 1 18 23 7  o 0 15.9   8.1   ?    ?   67.878   -131.677     71.7534    -131.677     27.7226     -131.677     
1 1 1 18 23 8  o 0 20.8   7.4   ?    ?   152.747  19.1802      117.268    19.1802      18.2533     19.1802      
1 1 1 18 23 9  o 0 3.2    6     ?    ?   114.175  -25.5156     4.62902    154.484      78.554      154.484      
1 1 1 18 23 10 o 0 -7.5   5.6   ?    ?   155.515  -105.781     56.1535    74.2187      153.904     74.2187      
1 1 1 18 23 11 o 0 5.5    6.9   ?    ?   57.5526  -27.9841     16.0409    -27.9841     20.0579     152.016      
1 1 1 18 23 12 o 0 24.9   7     ?    ?   189.928  -141.571     139.918    -141.571     21.0964     -141.571     
1 1 1 18 23 13 o 0 8.6    6.4   ?    ?   247.01   -120.659     6.35691    59.3411      158.676     59.3411      
1 1 1 18 23 14 o 0 28.6   6.7   ?    ?   81.7629  75.4152      187.594    75.4153      137.351     75.4153      
1 1 1 18 23 15 o 0 -9.2   8.6   ?    ?   154.664  10.6034      29.0075    -169.397     123.673     -169.397     
1 1 1 18 23 16 o 0 15     7.6   ?    ?   163.053  83.5462      85.4676    83.5462      8.30201     -96.4538     
1 1 1 18 23 17 o 0 72.6   11.8  ?    ?   479.82   56.0517      199.113    56.0517      75.481      -123.948     
1 1 1 18 23 18 o 0 45.3   10    ?    ?   290.379  -68.9412     211.353    -68.9412     61.2285     -68.9412     
1 1 1 18 23 19 o 0 -6.4   6.7   ?    ?   99.193   -71.7242     1.90192    -71.7242     49.0828     108.276      
1 1 1 18 24 0  o 0 0.3    8.2   ?    ?   156.397  -180         25.9239    180          72.965      2.261e-14    
1 1 1 18 24 1  o 0 -0.7   5.7   ?    ?   78.8856  75.5323      14.2997    -104.468     64.3446     -104.468     
1 1 1 18 24 2  o 0 12.5   6.6   ?    ?   63.2754  81.3885      48.5277    81.3885      8.27603     81.3885      
1 1 1 18 24 3  o 0 7.7    6.3   ?    ?   133.018  -172.529     20.5116    -172.529     64.2883     7.47067      
1 1 1 18 24 4  o 0 101.4  11.6  ?    ?   430.197  37.9088      303.509    37.9088      28.8176     37.9088      
1 1 1 18 24 5  o 0 29.9   8.7   ?    ?   105.399  78.1162      185.07     78.1162      119.559     78.1162      
1 1 1 18 24 6  o 0 16.2   8.5   ?    ?   200.169  -165.486     64.7026    -165.486     59.7788     14.5143      
1 1 1 18 24 7  o 0 10.6   7.8   ?    ?   116.424  168.305      50.9097    168.305      21.4921     -11.6952     
1 1 1 18 24 8  o 0 13.8   6.8   ?    ?   97.6287  162.251      73.3137    162.251      12.6306     162.251      
1 1 1 18 24 9  o 0 19.5   7.2   ?    ?   252.876  -18.3803     66.5625    -18.3803     90.4609     161.62       
1 1 1 18 24 10 o 0 3.1    6.2   ?    ?   218.899  -122.258     29.6744    57.742       163.861     57.742       
1 1 1 18 24 11 o 0 -2.5   7.5   ?    ?   69.7174  55.8752      0.309527   55.8752      42.3438     -124.125     
1 1 1 18 24 12 o 0 17.9   7.6   ?    ?   250.347  -143.084     56.5758    -143.084     96.2133     36.9162      
1 1 1 18 24 13 o 0 36     7.2   ?    ?   317.18   155.122      150.509    155.122      31.6465     -24.8782     
1 1 1 18 24 14 o 0 -1.1   6.4   ?    ?   270.025  -20.8789     62.5527    159.121      217.103     159.121      
1 1 1 18 24 15 o 0 13.9   7.6   ?    ?   75.2915  -96.2576     103.621    -96.2576     64.6331     -96.2576     
1 1 1 18 24 16 f 1 11.1   7.5   ?    ?   234.569  -41.5613     40.0329    -41.5613     80.599      138.439      
1 1 1 18 25 0  o 0 53.8   11.2  ?    ?   303.268  -1.83361e-14 206.428    0            23.0007     1.46228e-13  
1 1 1 18 25 1  o 0 8.2    6     ?    ?   112.367  31.6343      30.3216    31.6343      37.8845     -148.366     
1 1 1 18 25 2  o 0 -0.5   5.9   ?    ?   35.4815  -10.8287     3.39217    169.171      24.9933     169.171      
1 1 1 18 25 3  o 0 0.2    5.9   ?    ?   106.177  -19.447      6.91684    160.553      70.9783     160.553      
1 1 1 18 25 4  o 0 35.9   7.3   ?    ?   251.95   99.1048      171.983    99.1048      19.6932     99.1048      
1 1 1 18 25 5  o 0 39.2   9.8   ?    ?   229.778  -169.222     192.437    -169.222     53.3721     -169.222     
1 1 1 18 25 6  o 0 9.6    10.4  ?    ?   109.58   -83.0878     58.4267    -83.0878     7.94132     96.9122      
1 1 1 18 25 7  o 0 30.3   7.8   ?    ?   183.617  -87.1785     173.423    -87.1785     62.1916     -87.1785     
1 1 1 18 25 8  o 0 6.2    7.1   ?    ?   87.7285  -42.5938     28.3947    -42.5938     24.7325     137.406      
1 1 1 18 25 9  o 0 24.8   6.3   ?    ?   203.006  20.1822      146.667    20.1822      30.7414     20.1822      
1 1 1 18 25 10 o 0 21.1   7.5   ?    ?   178.12   -177.474     122.219    -177.474     20.6386     -177.474     
1 1 1 18 25 11 o 0 -5.4   8.5   ?    ?   94.4486  57.2071      3.71456    57.2071      50.051      -122.793     
1 1 1 18 25 12 o 0 -4.6   8.2   ?    ?   140.572  -9.10404     10.0172    -9.10404     62.4944     170.896      
1 1 1 18 25 13 o 0 46.7   8.8   ?    ?   262.414  171.086      234.94     171.086      99.9555     171.086      
1 1 1 18 25 14 o 0 7.5    7.2   ?    ?   71.3141  92.2101      59.1865    92.2101      22.6225     92.2101      
1 1 1 18 26 0  o 0 36.1   9.5   ?    ?   179.377  -1.39951e-13 162.153    0            62.6372     2.22351e-13  
1 1 1 18 26 1  o 0 18.8   6.4   ?    ?   136.634  -30.575      123.993    -30.575      47.9013     -30.575      
1 1 1 18 26 2  f 1 2.3    6.1   ?    ?   24.5681  -2.81037     6.79459    -2.81037     6.89611     177.19       
1 1 1 18 26 3  o 0 2.8    5.8   ?    ?   20.8717  31.922       5.9722     31.922       5.71921     -148.078     
1 1 1 18 26 5  f 1 11.1   8.9   ?    ?   156.154  48.0395      58.7652    48.0395      28.7888     -131.96      
1 1 1 18 26 6  o 0 -12    12.6  ?    ?   123.556  -16.367      10.1856    -16.367      59.3346     163.633      
1 1 1 18 26 7  f 1 5.5    7.9   ?    ?   77.2506  51.2432      35.4739    51.2432      7.89773     -128.757     
1 1 1 18 26 8  o 0 36.9   9.5   ?    ?   222.09   177.774      202.599    177.774      89.0737     177.774      
1 1 1 18 26 9  o 0 2.6    5.8   ?    ?   127.084  95.7201      22.9111    95.7201      42.0087     -84.2799     
1 1 1 18 26 10 o 0 24     7.3   ?    ?   287.917  -10.1427     105.061    -10.1427     41.8487     169.857      
1 1 1 18 27 0  o 0 9.5    8.7   ?    ?   216.529  -3.87887e-15 63.8719    0            43.3142     180          
1 1 1 18 27 1  o 0 -7.3   6.2   ?    ?   110.25   -176.211     6.49872    3.78947      61.2955     3.78947      
1 1 1 18 27 2  o 0 4.9    5.9   ?    ?   97.0718  -74.7262     40.1935    -74.7262     8.2196      105.274      
1 1 1 18 27 3  o 0 -3.9   6.7   ?    ?   145.231  -14.1993     1.67784    165.801      74.3161     165.801      
1 1 1 18 27 4  o 0 9.3    6.7   ?    ?   177.803  -16.7997     50.8865    -16.7997     38.2442     163.2        
1 1 1 19 0  1  o 0 20.9   6.9   ?    ?   324.26   -90          91.8009    -90          114.41      90           
1 1 1 19 0  2  o 0 239.5  26.9  ?    ?   708.797  180          432.939    180          17.5668     2.92071e-14  
1 1 1 19 0  3  o 0 147.7  20.3  ?    ?   796.173  90           338.783    90           166.671     -90          
1 1 1 19 0  4  f 1 26.9   7.3   ?    ?   317.554  -5.61053e-15 113.547    0            87.1899     180          
1 1 1 19 0  5  o 0 40.2   8.2   ?    ?   342.694  -90          158.236    -90          58.4713     90           
1 1 1 19 0  6  o 0 301.6  33.5  ?    ?   826.514  -4.87588e-15 481.531    0            38.6064     180          
1 1 1 19 0  7  o 0 74.4   15.6  ?    ?   456.869  -90          233.656    -90          52.9719     90           
1 1 1 19 0  8  o 0 94.5   13.9  ?    ?   256.888  0            253.512    0            92.9059     0            
1 1 1 19 0  9  o 0 53.7   18    ?    ?   14.8162  -90          14.1024    -90          4.87464     -90          
1 1 1 19 0  10 o 0 11.1   8.7   ?    ?   177.567  180          25.6055    180          84.5258     1.67792e-15  
1 1 1 19 0  11 o 0 26.8   9.2   ?    ?   34.5858  -90          16.2198    -90          5.13514     90           
1 1 1 19 0  12 o 0 116.9  16.3  ?    ?   508.447  -9.68889e-16 292.165    0            23.8733     180          
1 1 1 19 0  13 o 0 405.4  45    ?    ?   580.228  90           541.098    90           182.282     90           
1 1 1 19 0  14 f 1 6      9.9   ?    ?   11.9016  -180         1.36125    180          6.40158     3.03014e-13  
1 1 1 19 0  15 f 1 180.6  22    ?    ?   731.598  -90          380.244    -90          99.099      90           
1 1 1 19 0  16 f 1 29     10.7  ?    ?   951.113  -1.34447e-15 140.309    0            479.074     180          
1 1 1 19 0  17 o 0 86.2   14.3  ?    ?   365.399  90           256.788    90           19.7515     90           
1 1 1 19 0  18 o 0 3.1    10.5  ?    ?   8.31456  180          0.983674   180          4.26565     -1.2619e-14  
1 1 1 19 0  19 o 0 223.1  25.2  ?    ?   338.007  90           411.235    90           199.365     90           
1 1 1 19 0  21 f 1 1.5    11.4  ?    ?   55.8274  -90          6.77779    -90          25.7504     90           
1 1 1 19 0  22 o 0 -11.2  14.4  ?    ?   18.7493  180          1.82464    180          8.65327     -1.54222e-13 
1 1 1 19 0  23 o 0 -12.7  14.4  ?    ?   30.4107  90           2.76935    90           14.0748     -90          
1 1 1 19 0  24 o 0 10.9   15.7  ?    ?   193.663  6.5222e-15   47.1969    0            57.5958     -180         
1 1 1 19 0  25 o 0 44.2   19.2  ?    ?   394.138  90           148.84     90           62.3359     -90          
1 1 1 19 0  26 o 0 22.9   12.6  ?    ?   81.9386  -6.33633e-15 59.4651    0            3.05502     1.16999e-13  
1 1 1 19 0  27 o 0 11.4   12.1  ?    ?   64.126   90           28.2551    90           16.2916     -90          
1 1 1 19 0  28 o 0 46.5   13    ?    ?   231.61   -8.32068e-15 202.173    0            42.7622     3.10182e-14  
1 1 1 19 0  29 o 0 172.3  23.1  ?    ?   388.998  -90          399.904    -90          135.366     -90          
1 1 1 19 0  30 o 0 -7.5   12.4  ?    ?   93.8932  180          17.5742    180          44.1081     -1.94014e-14 
1 1 1 19 0  31 o 0 12.5   13.1  ?    ?   184.831  90           71.0261    90           45.4996     -90          
1 1 1 19 0  32 o 0 6.2    13.7  ?    ?   2.61121  180          1.19081    180          0.414509    2.01577e-14  
1 1 1 19 0  33 o 0 52.1   15.1  ?    ?   383.102  90           192.2      90           26.8955     -90          
1 1 1 19 1  0  o 0 -3.6   7.6   ?    ?   50.2018  90           1.89483    90           29.9013     -90          
1 1 1 19 1  1  o 0 510.1  42.2  ?    ?   1239.32  153.876      460.211    153.876      324.742     -26.1244     
1 1 1 19 1  2  o 0 74.7   11    ?    ?   388.925  -29.0226     183.089    -29.0226     63.0918     150.977      
1 1 1 19 1  3  o 0 841.7  69.2  ?    ?   1171.2   -53.439      853.242    -53.439      112.803     -53.439      
1 1 1 19 1  4  o 0 80.4   8.7   ?    ?   361.539  -103.644     214.091    -103.644     14.0743     76.3564      
1 1 1 19 1  5  o 0 51.8   7.5   ?    ?   204.869  -70.6097     156.211    -70.6097     27.2084     -70.6097     
1 1 1 19 1  6  o 0 14.2   11.5  ?    ?   194.978  170.419      20.1778    -9.5805      142.36      -9.5805      
1 1 1 19 1  7  o 0 119    14.4  ?    ?   567.639  -156.339     214.609    -156.339     140.008     23.6611      
1 1 1 19 1  8  f 1 -12.2  7     ?    ?   30.0044  -43.5705     15.8656    136.429      34.4976     136.429      
1 1 1 19 1  9  o 0 53.6   7.7   ?    ?   317.855  -105.703     139.792    -105.703     57.3504     74.2973      
1 1 1 19 1  10 o 0 37.4   6.4   ?    ?   281.1    -102.195     83.5403    -102.195     90.0916     77.8045      
1 1 1 19 1  11 o 0 975    68.1  ?    ?   1147.76  -98.086      967.63     -98.086      261.792     -98.086      
1 1 1 19 1  12 o 0 77.1   9.4   ?    ?   458.465  80.6507      154.01     80.6507      129.842     -99.3493     
1 1 1 19 1  13 o 0 21.2   6.5   ?    ?   257.447  -106.142     10.1568    -106.142     148.44      73.8581      
1 1 1 19 1  14 o 0 199.9  17.1  ?    ?   387.624  86.5347      506.344    86.5347      253.808     86.5347      
1 1 1 19 1  15 o 0 132.2  12.8  ?    ?   248.363  -24.4618     421.237    -24.4618     258.677     -24.4618     
1 1 1 19 1  16 o 0 138.9  13.5  ?    ?   414.672  -157.944     355.119    -157.944     85.3193     -157.944     
1 1 1 19 1  17 o 0 21.2   7.1   ?    ?   345.181  -134.358     22.8538    45.6416      246.028     45.6416      
1 1 1 19 1  18 o 0 220.3  18.3  ?    ?   561.012  -155.377     446.551    -155.377     93.4935     -155.377     
1 1 1 19 1  19 o 0 667.4  47.7  ?    ?   1080.67  -76.5088     726.955    -76.5088     51.636      -76.5088     
1 1 1 19 1  20 o 0 270.2  20.4  ?    ?   828.52   21.5655      397.09     21.5655      89.3723     -158.435     
1 1 1 19 1  21 o 0 63.4   9.8   ?    ?   206.752  142.128      245.829    142.128      125.385     142.128      
1 1 1 19 1  22 o 0 96.8   13.9  ?    ?   448.669  0.610885     251.49     0.610885     1.40507     0.610885     
1 1 1 19 1  23 o 0 97.9   14    ?    ?   421.832  177.761      264.251    177.761      31.1718     177.761      
1 1 1 19 1  24 o 0 43.3   12    ?    ?   36.0651  -24.4593     83.2602    -24.4593     63.7895     -24.4593     
1 1 1 19 1  25 f 1 67.1   11.7  ?    ?   251.275  -18.9293     249.692    -18.9293     115.691     -18.9293     
1 1 1 19 1  26 o 0 37.2   8.7   ?    ?   80.2876  -132.303     179.014    -132.303     123.848     -132.303     
1 1 1 19 1  27 o 0 9.8    8.3   ?    ?   121.075  -40.5526     32.6018    -40.5526     51.3556     139.447      
1 1 1 19 1  28 o 0 28.2   9.2   ?    ?   144.752  142.555      161.799    142.555      62.3325     142.555      
1 1 1 19 1  29 o 0 32.2   11.1  ?    ?   176.682  -95.7208     165.919    -95.7208     45.9419     -95.7208     
1 1 1 19 1  30 o 0 -6     8.8   ?    ?   83.3861  -117.23      10.218     62.7703      64.9265     62.7703      
1 1 1 19 1  31 o 0 36.5   11.1  ?    ?   223.113  161.004      173.184    161.004      32.6834     161.004      
1 1 1 19 1  32 o 0 7.3    9.8   ?    ?   73.6301  162.94       42.7962    162.94       2.42558     -17.06       
1 1 1 19 1  33 o 0 90.9   12.9  ?    ?   319.879  65.908       343.979    65.908       161.191     65.908       
1 1 1 19 1  34 o 0 -5.4   11    ?    ?   93.3058  -40.9931     33.1172    -40.9931     14.5934     139.007      
1 1 1 19 2  0  o 0 145.4  16.8  ?    ?   680.907  90           334.771    90           94.468      -90          
1 1 1 19 2  1  o 0 304.2  25.7  ?    ?   660.995  137.26       524.438    137.26       107.77      137.26       
1 1 1 19 2  2  o 0 1387   113.7 ?    ?   1417.25  145.698      1140.29    145.698      247.515     145.698      
1 1 1 19 2  3  o 0 34.9   6     ?    ?   529.254  -45.5983     44.1192    134.402      377.101     134.402      
1 1 1 19 2  4  o 0 27.7   6.6   ?    ?   60.0366  -42.3019     25.9336    -42.3019     11.772      137.698      
1 1 1 19 2  5  o 0 14.5   6.4   ?    ?   298.404  85.4506      57.2782    -94.5494     243.867     -94.5494     
1 1 1 19 2  6  o 0 1609.7 131.9 ?    ?   1742.65  97.2817      1075.05    97.2817      11.7223     -82.7183     
1 1 1 19 2  7  o 0 24.2   9.1   ?    ?   33.1273  -60.1366     10.1874    -60.1366     10.4092     119.863      
1 1 1 19 2  8  o 0 299.5  28.8  ?    ?   732.133  -127.221     468.232    -127.221     14.5743     -127.221     
1 1 1 19 2  9  o 0 112.1  11    ?    ?   204.124  -142.502     350.541    -142.502     224.527     -142.502     
1 1 1 19 2  10 o 0 52.9   7.4   ?    ?   213.187  64.4714      161.831    64.4714      30.7508     64.4714      
1 1 1 19 2  11 o 0 526.2  37.4  ?    ?   764.182  38.2559      745.594    38.2559      272.361     38.2559      
1 1 1 19 2  12 o 0 318.1  23.4  ?    ?   552.557  -122.398     590.664    -122.398     250.06      -122.398     
1 1 1 19 2  13 o 0 74.2   9     ?    ?   381.293  -107.823     182.518    -107.823     51.3657     72.1772      
1 1 1 19 2  14 o 0 15.6   6.9   ?    ?   229.797  -154.473     23.0309    25.5272      172.118     25.5272      
1 1 1 19 2  15 o 0 558.1  40    ?    ?   803.054  87.5199      785.325    87.5199      261.837     87.5199      
1 1 1 19 2  16 o 0 25.1   7.3   ?    ?   152.634  -165.65      57.7542    -165.65      41.1639     14.3498      
1 1 1 19 2  17 o 0 94.8   10.6  ?    ?   365.306  -32.7804     263.084    -32.7804     27.7952     -32.7804     
1 1 1 19 2  18 o 0 24.9   8.3   ?    ?   86.3406  -9.02469     51.699     -9.02469     2.43813     170.975      
1 1 1 19 2  19 o 0 130.5  13.4  ?    ?   409.829  3.37575      338.652    3.37575      83.4494     3.37575      
1 1 1 19 2  20 f 1 347.2  26.6  ?    ?   809.524  177.477      524.72     177.477      52.2349     177.477      
1 1 1 19 2  21 o 0 15.7   8     ?    ?   246.966  -113.558     4.91704    -113.558     138.489     66.4418      
1 1 1 19 2  22 o 0 81.5   13.8  ?    ?   308.176  101.012      272.235    101.012      100.989     101.012      
1 1 1 19 2  23 o 0 13.6   13.2  ?    ?   35.6627  -125.867     12.2066    -125.867     7.44075     54.1334      
1 1 1 19 2  24 o 0 107.2  15.4  ?    ?   529.575  140.182      237.18     140.182      47.9304     -39.8183     
1 1 1 19 2  25 o 0 9.5    9.7   ?    ?   179.93   29.1838      11.2145    29.1838      89.1642     -150.816     
1 1 1 19 2  26 o 0 -9.1   8.1   ?    ?   128.71   -90.4387     49.144     89.5613      137.362     89.5613      
1 1 1 19 2  27 o 0 4.3    8.5   ?    ?   124.319  -173.214     3.19255    -173.214     82.8143     6.78559      
1 1 1 19 2  28 o 0 -5.9   8.6   ?    ?   86.3665  168.072      16.5467    -11.9281     75.7652     -11.9281     
1 1 1 19 2  29 o 0 44.8   10.7  ?    ?   382.073  32.9644      132.437    32.9644      120.862     -147.036     
1 1 1 19 2  30 o 0 -7.9   9.9   ?    ?   121.077  -44.9437     16.3656    135.056      95.6556     135.056      
1 1 1 19 2  31 o 0 19.3   10    ?    ?   97.4555  -118.875     106.121    -118.875     44.8554     -118.875     
1 1 1 19 2  32 o 0 22.1   9.4   ?    ?   158.782  27.1539      121.876    27.1539      24.5065     27.1539      
1 1 1 19 2  33 o 0 85.5   12.6  ?    ?   282.659  -134.494     346.234    -134.494     184.94      -134.494     
1 1 1 19 2  34 o 0 24.6   11.8  ?    ?   96.8147  52.5643      154.073    52.5643      104.63      52.5643      
1 1 1 19 3  0  o 0 114.6  14.1  ?    ?   612.454  90           295.379    90           88.6343     -90          
1 1 1 19 3  1  o 0 25.8   5.1   ?    ?   479.498  -7.06647     64.3544    172.934      364.983     172.934      
1 1 1 19 3  2  o 0 1276.1 104.7 ?    ?   1151.46  152.794      1215.32    152.794      493.891     152.794      
1 1 1 19 3  3  o 0 324.4  25.3  ?    ?   686.876  47.8815      537.086    47.8815      107.269     47.8815      
1 1 1 19 3  4  o 0 88.4   10.6  ?    ?   313.217  95.2824      259.357    95.2824      64.1235     95.2824      
1 1 1 19 3  5  o 0 43.2   6.8   ?    ?   411.437  -10.6434     56.7514    -10.6434     199.141     169.357      
1 1 1 19 3  6  o 0 217.9  19.3  ?    ?   889.763  -31.0636     237.665    -31.0636     314.281     148.936      
1 1 1 19 3  7  o 0 166.7  15.7  ?    ?   424.285  21.1898      399.593    21.1898      137.179     21.1898      
1 1 1 19 3  8  o 0 142    12.4  ?    ?   579.064  95.0724      261.495    95.0724      95.4607     -84.9276     
1 1 1 19 3  9  o 0 82.3   8.8   ?    ?   414.029  45.8731      192.628    45.8731      61.6678     -134.127     
1 1 1 19 3  10 o 0 608.9  42.8  ?    ?   964.857  65.8461      723.911    65.8461      133.626     65.8461      
1 1 1 19 3  11 o 0 298.3  23.6  ?    ?   667.273  -124.804     494.63     -124.804     83.4363     -124.804     
1 1 1 19 3  12 o 0 107.5  11.4  ?    ?   499.384  -66.8454     216.248    -66.8454     90.1013     113.155      
1 1 1 19 3  13 f 1 137.8  11.6  ?    ?   577.558  60.5995      262.39     60.5995      111.543     -119.4       
1 1 1 19 3  14 o 0 36.1   7.3   ?    ?   392.203  1.60185      36.8515    1.60185      216.436     -178.398     
1 1 1 19 3  15 f 1 429.9  31.5  ?    ?   532.894  -104.541     787.654    -104.541     442.714     -104.541     
1 1 1 19 3  16 o 0 334.3  25.3  ?    ?   626.325  -100.392     590.943    -100.392     186.796     -100.392     
1 1 1 19 3  17 o 0 42.4   8     ?    ?   292.563  50.871       114.028    50.871       73.6159     -129.129     
1 1 1 19 3  18 o 0 35.9   8.4   ?    ?   87.9668  31.7937      99.1578    31.7937      44.2257     31.7937      
1 1 1 19 3  19 o 0 99.8   11.7  ?    ?   390.188  148.5        268.95     148.5        26.9346     148.5        
1 1 1 19 3  20 f 1 273.4  21.7  ?    ?   683.126  -38.0899     481.22     -38.0899     84.025      -38.0899     
1 1 1 19 3  21 o 0 23.9   8.1   ?    ?   319.235  42.8958      29.7512    42.8958      154.939     -137.104     
1 1 1 19 3  22 o 0 23.3   11.2  ?    ?   225.032  -98.0525     64.8884    -98.0525     59.7152     81.9475      
1 1 1 19 3  23 o 0 204.1  22.5  ?    ?   485.507  -11.8236     459.295    -11.8236     192.725     -11.8236     
1 1 1 19 3  24 o 0 91.8   15.5  ?    ?   468.903  165.793      224.671    165.793      26.9562     -14.2068     
1 1 1 19 3  25 f 1 26.3   9.7   ?    ?   221.901  149.754      91.5623    149.754      31.5305     -30.2455     
1 1 1 19 3  26 o 0 3      8.8   ?    ?   106.183  38.9945      7.53943    -141.005     80.1025     -141.005     
1 1 1 19 3  27 o 0 49.5   11.1  ?    ?   286.81   137.492      209.354    137.492      11.4894     137.492      
1 1 1 19 3  28 o 0 85.5   12.7  ?    ?   334.197  -37.6273     318.209    -37.6273     89.6737     -37.6273     
1 1 1 19 3  29 o 0 -7     8.9   ?    ?   54.7298  31.8408      6.46889    -148.159     42.6609     -148.159     
1 1 1 19 3  30 o 0 6.3    8.2   ?    ?   62.0251  77.1849      20.4923    77.1849      20.0294     -102.815     
1 1 1 19 3  31 o 0 9.7    8.7   ?    ?   168.37   8.50044      35.5424    8.50044      70.0675     -171.5       
1 1 1 19 3  32 o 0 3.3    8.7   ?    ?   91.2429  -110.033     22.9741    -110.033     32.8612     69.9669      
1 1 1 19 3  33 o 0 53     14.9  ?    ?   329.839  -81.1264     178.443    -81.1264     9.40687     98.8736      
1 1 1 19 3  34 o 0 30.6   11.2  ?    ?   178.077  134.52       169.347    134.52       78.5668     134.52       
1 1 1 19 4  0  f 1 361.5  47.5  ?    ?   820.262  -90          518.776    -90          9.94887     -90          
1 1 1 19 4  1  o 0 939.6  76.9  ?    ?   1137.86  -17.9193     949.563    -17.9193     241.948     -17.9193     
1 1 1 19 4  2  o 0 947.9  71.1  ?    ?   1250.94  -14.0334     890.349    -14.0334     112.925     -14.0334     
1 1 1 19 4  3  o 0 197.5  17.2  ?    ?   477.218  113.09       436.364    113.09       140.145     113.09       
1 1 1 19 4  4  o 0 41     6.1   ?    ?   117.552  168.259      97.0316    168.259      24.1882     168.259      
1 1 1 19 4  5  o 0 45     6.3   ?    ?   436.522  1.52506      51.7816    1.52506      218.14      -178.475     
1 1 1 19 4  6  o 0 1231   112.8 ?    ?   1613.91  -55.2565     875.569    -55.2565     119.856     124.743      
1 1 1 19 4  7  o 0 80.2   8.9   ?    ?   394.758  14.5071      195.787    14.5071      46.9868     -165.493     
1 1 1 19 4  8  o 0 25.5   5.9   ?    ?   332.294  110.023      5.08642    110.023      198.613     -69.9766     
1 1 1 19 4  9  o 0 142.6  12.5  ?    ?   481.928  30.2129      312.937    30.2129      18.5549     30.2129      
1 1 1 19 4  10 o 0 435.2  31    ?    ?   1084.78  -167.3       439.691    -167.3       228.015     12.7004      
1 1 1 19 4  11 o 0 928    60.6  ?    ?   1311.68  -153.208     809.357    -153.208     5.31604     -153.208     
1 1 1 19 4  12 o 0 233.3  17.9  ?    ?   555.698  55.2908      446.62     55.2908      107.481     55.2908      
1 1 1 19 4  13 o 0 79.3   8.7   ?    ?   277.437  -75.1412     255.44     -75.1412     76.2622     -75.1412     
1 1 1 19 4  14 o 0 113    10.5  ?    ?   333.083  94.1883      332.503    94.1883      116.245     94.1883      
1 1 1 19 4  15 o 0 442.9  32.4  ?    ?   828.967  -87.0812     619.792    -87.0812     84.4101     -87.0812     
1 1 1 19 4  16 o 0 40.9   7.6   ?    ?   266.984  -46.5866     117.492    -46.5866     53.9758     133.413      
1 1 1 19 4  17 f 1 19.3   7.1   ?    ?   280.126  -158.659     4.7931     -158.659     170.003     21.3409      
1 1 1 19 4  18 o 0 197.4  18.1  ?    ?   619.525  11.463       363.23     11.463       21.9204     -168.537     
1 1 1 19 4  19 o 0 278.7  22.2  ?    ?   633.421  -114.237     495.599    -114.237     104.416     -114.237     
1 1 1 19 4  20 o 0 30.1   8.1   ?    ?   264.436  -177.367     90.1518    -177.367     63.351      2.63348      
1 1 1 19 4  21 o 0 92.8   12.7  ?    ?   251.896  134.459      319.285    134.459      174.145     134.459      
1 1 1 19 4  22 o 0 57.6   11.8  ?    ?   407.047  -51.6922     148.553    -51.6922     75.9472     128.308      
1 1 1 19 4  23 f 1 117.7  16.3  ?    ?   646.756  167.625      204.484    167.625      143.465     -12.3748     
1 1 1 19 4  24 o 0 112.3  16.5  ?    ?   282.502  -33.1451     361.909    -33.1451     210.868     -33.1451     
1 1 1 19 4  25 o 0 14.5   12.2  ?    ?   262.404  -123.592     13.4966    -123.592     131.922     56.408       
1 1 1 19 4  26 o 0 9.5    9.5   ?    ?   127.305  168.05       34.7657    168.05       53.6793     -11.9504     
1 1 1 19 4  27 o 0 105.5  14.6  ?    ?   335.347  159.633      382.897    159.633      152.306     159.633      
1 1 1 19 4  28 o 0 44.7   9.5   ?    ?   302.078  148.074      178.558    148.074      27.3633     -31.926      
1 1 1 19 4  29 o 0 13.3   8.8   ?    ?   158.126  -49.9527     59.3674    -49.9527     44.8842     130.047      
1 1 1 19 4  30 o 0 24     8.4   ?    ?   153.448  -139.634     139.171    -139.634     41.9692     -139.634     
1 1 1 19 4  31 o 0 -4.3   9.9   ?    ?   73.7539  -72.3881     9.08009    -72.3881     36.5328     107.612      
1 1 1 19 4  32 o 0 149.8  16.5  ?    ?   535.911  -72.2656     387.088    -72.2656     78.4006     -72.2656     
1 1 1 19 4  33 o 0 48.9   12.2  ?    ?   380.36   29.7634      175.308    29.7634      20.9482     -150.237     
1 1 1 19 5  0  o 0 123.8  14.5  ?    ?   434.922  -90          302.831    -90          34.1031     -90          
1 1 1 19 5  1  o 0 17.5   5.1   ?    ?   238.267  136.498      12.8519    -43.5017     160.069     -43.5017     
1 1 1 19 5  2  o 0 80.9   11.3  ?    ?   193.645  -76.616      259.68     -76.616      140.106     -76.616      
1 1 1 19 5  3  o 0 310.6  26.3  ?    ?   954.728  -139.771     353.05     -139.771     235.813     40.2288      
1 1 1 19 5  4  o 0 116.1  10.2  ?    ?   406.892  -12.9123     290.225    -12.9123     39.6658     -12.9123     
1 1 1 19 5  5  o 0 163.4  14.7  ?    ?   556.187  179.013      320.273    179.013      21.5178     -0.986504    
1 1 1 19 5  6  o 0 769.5  57.9  ?    ?   1049.54  -46.9519     837.23     -46.9519     193.836     -46.9519     
1 1 1 19 5  7  o 0 150.7  12.7  ?    ?   617.37   -58.8455     257.52     -58.8455     119.884     121.154      
1 1 1 19 5  8  o 0 92.9   8.6   ?    ?   475.22   -125.326     191.164    -125.326     98.4329     54.674       
1 1 1 19 5  9  o 0 -1.3   5.2   ?    ?   167.322  -88.7731     81.5821    91.2269      183.198     91.2269      
1 1 1 19 5  10 o 0 647.9  42.7  ?    ?   1012.68  -94.4853     723.959    -94.4853     104.178     -94.4853     
1 1 1 19 5  11 o 0 372    25.5  ?    ?   743.22   83.8485      553.088    83.8485      100.043     83.8485      
1 1 1 19 5  12 o 0 279.3  19.7  ?    ?   615.277  109.959      518.131    109.959      121.08      109.959      
1 1 1 19 5  13 f 1 108.3  9.7   ?    ?   279.968  -57.3762     339.25     -57.3762     159.868     -57.3762     
1 1 1 19 5  14 o 0 187.4  15.2  ?    ?   527.68   171.227      395.01     171.227      54.2033     171.227      
1 1 1 19 5  15 o 0 121.4  11    ?    ?   404.013  116.152      314.162    116.152      54.5714     116.152      
1 1 1 19 5  16 o 0 200    15.5  ?    ?   359.149  36.9783      508.813    36.9783      279.31      36.9783      
1 1 1 19 5  17 o 0 99.1   10.4  ?    ?   298.591  -110.353     313.983    -110.353     128.1       -110.353     
1 1 1 19 5  18 o 0 -0.1   7.1   ?    ?   68.8121  -2.75235     25.0027    177.248      67.5776     177.248      
1 1 1 19 5  19 o 0 34.8   9     ?    ?   279.759  -109.185     107.252    -109.185     55.5276     70.8154      
1 1 1 19 5  20 o 0 120.4  13    ?    ?   600.834  132.165      222.736    132.165      124.455     -47.8354     
1 1 1 19 5  21 o 0 33.7   9.5   ?    ?   222.372  -144.616     127.945    -144.616     4.87864     -144.616     
1 1 1 19 5  22 o 0 14.5   11    ?    ?   149.891  70.2214      28.753     70.2214      53.5599     -109.779     
1 1 1 19 5  23 o 0 127    17.4  ?    ?   356.144  -141.971     367.667    -141.971     176.378     -141.971     
1 1 1 19 5  24 o 0 21.3   16.3  ?    ?   229.126  118.615      59.4514    118.615      62.5526     -61.3853     
1 1 1 19 5  25 f 1 52     11.5  ?    ?   281.361  86.9994      224.515    86.9994      32.2731     86.9994      
1 1 1 19 5  26 o 0 15.7   11    ?    ?   119.1    -20.0598     73.7554    -20.0598     8.67159     159.94       
1 1 1 19 5  27 o 0 30.9   8.8   ?    ?   124.764  -17.1252     181.221    -17.1252     95.7506     -17.1252     
1 1 1 19 5  28 o 0 189.9  17.7  ?    ?   527.926  82.6136      472.235    82.6136      113.651     82.6136      
1 1 1 19 5  29 o 0 45.9   10.7  ?    ?   256.747  121.611      210.249    121.611      41.5657     121.611      
1 1 1 19 5  30 o 0 42.1   8.7   ?    ?   193.948  -41.9287     229.825    -41.9287     107.38      -41.9287     
1 1 1 19 5  31 o 0 63.8   10.5  ?    ?   421.77   102.512      194.727    102.512      65.2727     -77.4885     
1 1 1 19 5  32 o 0 -4     9.4   ?    ?   248.059  -40.9962     37.8139    139.004      180.253     139.004      
1 1 1 19 5  33 o 0 0.4    11.6  ?    ?   38.839   162.659      34.6613    162.659      14.6812     162.659      
1 1 1 19 6  0  o 0 51.4   8.7   ?    ?   155.481  90           129.178    90           33.7806     90           
1 1 1 19 6  1  o 0 48.5   5.7   ?    ?   276.415  95.8674      132.508    95.8674      37.0985     -84.1326     
1 1 1 19 6  2  f 1 439.1  33.5  ?    ?   955.598  114.942      532.122    114.942      52.414      -65.0581     
1 1 1 19 6  3  o 0 140.4  11    ?    ?   610.313  -159.211     239.069    -159.211     134.829     20.7887      
1 1 1 19 6  4  o 0 82.8   8.1   ?    ?   390.976  -87.6819     204.605    -87.6819     34.5564     92.3181      
1 1 1 19 6  5  f 1 394.9  28.1  ?    ?   980.141  -138.716     458.133    -138.716     138.716     41.2844      
1 1 1 19 6  6  o 0 48     6     ?    ?   300.045  116.806      122.081    116.806      60.6723     -63.1939     
1 1 1 19 6  7  o 0 140.2  11.6  ?    ?   441.981  56.7447      326.478    56.7447      57.9965     56.7447      
1 1 1 19 6  8  o 0 -0.4   5.4   ?    ?   56.1264  71.0439      26.2785    -108.956     60.2698     -108.956     
1 1 1 19 6  9  o 0 35.3   6.4   ?    ?   183.065  -151.957     95.3086    -151.957     16.4657     28.043       
1 1 1 19 6  10 o 0 97     9.4   ?    ?   156.559  174.889      305.275    174.889      210.03      174.889      
1 1 1 19 6  11 o 0 153.1  13    ?    ?   331.796  20.6498      403.808    20.6498      202.739     20.6498      
1 1 1 19 6  12 o 0 98.6   9.2   ?    ?   398.846  137.545      256.591    137.545      0.685576    137.545      
1 1 1 19 6  13 o 0 91.9   9.2   ?    ?   424.601  87.5685      224.061    87.5685      49.9556     -92.4315     
1 1 1 19 6  14 o 0 182.1  14.3  ?    ?   623.664  115.546      325.293    115.546      75.28       -64.4544     
1 1 1 19 6  15 o 0 204.4  15.8  ?    ?   684.102  80.1458      331.478    80.1458      105.697     -99.8542     
1 1 1 19 6  16 o 0 304.4  23.1  ?    ?   823.435  -97.2331     429.095    -97.2331     83.7697     82.7669      
1 1 1 19 6  17 o 0 25.5   7.9   ?    ?   82.1807  -132.545     54.8222    -132.545     3.92824     -132.545     
1 1 1 19 6  18 o 0 239.4  19.1  ?    ?   635.801  -134.836     427.289    -134.836     35.9174     -134.836     
1 1 1 19 6  19 f 1 41.1   8.2   ?    ?   431.006  71.9966      66.7985    71.9966      182.091     -108.003     
1 1 1 19 6  20 o 0 14.4   8.2   ?    ?   27.9166  40.889       6.27127    40.889       9.78143     -139.111     
1 1 1 19 6  21 o 0 4.7    9.4   ?    ?   99.685   175.899      7.20716    -4.10075     62.1114     -4.10075     
1 1 1 19 6  22 o 0 63     17.2  ?    ?   375.406  144.34       171.866    144.34       33.3248     -35.6603     
1 1 1 19 6  23 o 0 68.4   14    ?    ?   293.693  168.168      235.542    168.168      78.5174     168.168      
1 1 1 19 6  24 o 0 170    24.3  ?    ?   496.86   -56.4912     369.71     -56.4912     94.1645     -56.4912     
1 1 1 19 6  25 o 0 46.2   11    ?    ?   249.624  -24.0654     212.768    -24.0654     42.5157     -24.0654     
1 1 1 19 6  26 f 1 -3.6   9.6   ?    ?   185.666  63.2124      39.1243    -116.788     166.745     -116.788     
1 1 1 19 6  27 o 0 16.8   9.4   ?    ?   144.535  -31.3932     81.4578    -31.3932     17.3634     148.607      
1 1 1 19 6  28 o 0 145.8  14.6  ?    ?   560.711  82.7452      345.606    82.7452      33.7098     -97.2548     
1 1 1 19 6  29 o 0 131.1  13.8  ?    ?   360.737  -11.9472     436.324    -11.9472     200.25      -11.9472     
1 1 1 19 6  30 o 0 7.5    9.1   ?    ?   104.055  -36.2889     37.7273    -36.2889     27.7152     143.711      
1 1 1 19 6  31 o 0 5      8.7   ?    ?   40.4309  -1.54682     20.3457    -1.54682     4.48555     178.453      
1 1 1 19 6  32 o 0 46.6   11.3  ?    ?   257.581  41.9323      213.497    41.9323      66.1218     41.9323      
1 1 1 19 6  33 o 0 10.1   10.7  ?    ?   91.7701  -116.607     81.5752    -116.607     34.5297     -116.607     
1 1 1 19 7  0  o 0 -3.6   6.5   ?    ?   175.459  -90          5.37817    -90          101.477     90           
1 1 1 19 7  1  o 0 15     4.6   ?    ?   234.377  -53.355      27.3685    126.645      170.128     126.645      
1 1 1 19 7  2  o 0 592.5  41.6  ?    ?   1126.81  64.5997      607.077    64.5997      78.9817     -115.4       
1 1 1 19 7  3  o 0 340.2  23.1  ?    ?   675.746  85.9414      555.443    85.9414      144.396     85.9414      
1 1 1 19 7  4  o 0 47.6   5.8   ?    ?   502.618  -170.362     27.8065    -170.362     277.502     9.63848      
1 1 1 19 7  5  f 1 89.8   8.2   ?    ?   644.285  138.427      90.8692    138.427      298.776     -41.573      
1 1 1 19 7  6  o 0 530    37.5  ?    ?   938.928  172.675      643.464    172.675      75.4186     172.675      
1 1 1 19 7  7  o 0 499.4  35.4  ?    ?   929.768  33.1276      606.546    33.1276      39.0134     33.1276      
1 1 1 19 7  8  o 0 45.8   6.5   ?    ?   443.467  -52.8444     51.1873    -52.8444     218.724     127.156      
1 1 1 19 7  9  o 0 32.6   6.3   ?    ?   347.575  84.5727      38.8315    84.5727      172.04      -95.4273     
1 1 1 19 7  10 o 0 473.3  31.6  ?    ?   786.583  -146.481     694.1      -146.481     188.494     -146.481     
1 1 1 19 7  11 o 0 463.2  31.2  ?    ?   550.733  -109.881     819.318    -109.881     466.651     -109.881     
1 1 1 19 7  12 o 0 402.8  27.5  ?    ?   1005.45  7.69772      455.298    7.69772      192.559     -172.302     
1 1 1 19 7  13 f 1 31.6   7     ?    ?   316.661  -119.193     53.6192    -119.193     149.01      60.8066      
1 1 1 19 7  14 o 0 775.1  54.5  ?    ?   1142.91  3.1535       785.821    3.1535       55.9973     3.1535       
1 1 1 19 7  15 o 0 606.6  40.7  ?    ?   1003.54  35.2633      710.617    35.2633      85.7852     35.2633      
1 1 1 19 7  16 o 0 176    14.3  ?    ?   571.948  145.415      347.897    145.415      6.34042     -34.5846     
1 1 1 19 7  17 o 0 37.3   7.5   ?    ?   315.629  113.155      90.7024    113.155      103.691     -66.8455     
1 1 1 19 7  18 o 0 9.6    7.2   ?    ?   149.784  52.3103      10.0816    -127.69      96.8864     -127.69      
1 1 1 19 7  19 o 0 165.9  16    ?    ?   363.793  93.3548      446.615    93.3548      237.114     93.3548      
1 1 1 19 7  20 o 0 294.1  22.6  ?    ?   754.349  131.693      479.917    131.693      63.6088     131.693      
1 1 1 19 7  21 o 0 63.4   10.2  ?    ?   313.997  39.8858      210.91     39.8858      38.8517     39.8858      
1 1 1 19 7  22 f 1 64.9   12.9  ?    ?   180.828  113.168      262.649    113.168      165.922     113.168      
1 1 1 19 7  23 o 0 15.3   11.5  ?    ?   299.592  116.245      2.74068    116.245      156.648     -63.7549     
1 1 1 19 7  24 o 0 258.2  36.1  ?    ?   612.557  -75.1189     553.826    -75.1189     134.281     -75.1189     
1 1 1 19 7  25 f 1 51.6   11.5  ?    ?   188.659  -172.067     270.932    -172.067     140.628     -172.067     
1 1 1 19 7  26 o 0 10.5   9.8   ?    ?   163.53   -167.063     33.0503    -167.063     79.1211     12.9374      
1 1 1 19 7  27 o 0 18.8   8.2   ?    ?   98.5325  -54.968      97.6673    -54.968      30.6052     -54.968      
1 1 1 19 7  28 f 1 87.3   11.4  ?    ?   445.74   -145.274     259.599    -145.274     33.3169     34.7259      
1 1 1 19 7  29 o 0 17.5   8.4   ?    ?   144.053  18.6286      95.88      18.6286      4.60959     18.6286      
1 1 1 19 7  30 o 0 -0.2   8.3   ?    ?   11.6724  -170.363     1.36889    -170.363     5.94084     9.63711      
1 1 1 19 7  31 o 0 3.3    8.3   ?    ?   30.0725  137.611      11.0163    137.611      7.3764      -42.389      
1 1 1 19 7  32 o 0 16.7   9.2   ?    ?   198.728  177.664      76.005     177.664      37.2359     -2.33648     
1 1 1 19 8  0  o 0 -5.3   6.2   ?    ?   12.5968  90           0.315212   90           7.29619     -90          
1 1 1 19 8  1  o 0 330.9  22.2  ?    ?   843.738  -106.732     442.41     -106.732     67.551      73.2679      
1 1 1 19 8  2  o 0 1450.3 94.1  ?    ?   1718.42  -29.5761     970.808    -29.5761     67.529      150.424      
1 1 1 19 8  3  o 0 558.7  39.2  ?    ?   1071.85  86.1479      596.954    86.1479      50.1925     -93.8521     
1 1 1 19 8  4  o 0 295.6  20    ?    ?   672.451  47.3782      485.853    47.3782      80.3598     47.3782      
1 1 1 19 8  5  o 0 342.5  24.7  ?    ?   947.051  103.169      392.011    103.169      184.683     -76.8305     
1 1 1 19 8  6  o 0 29.6   5.8   ?    ?   221.636  49.0649      64.3698    49.0649      70.3136     -130.935     
1 1 1 19 8  7  o 0 428.1  30.6  ?    ?   948.831  -68.2271     503.745    -68.2271     71.4415     111.773      
1 1 1 19 8  8  o 0 177.9  14.2  ?    ?   402.845  170.584      420.672    170.584      177.139     170.584      
1 1 1 19 8  9  o 0 99.9   10.3  ?    ?   362.941  45.0375      277.863    45.0375      45.301      45.0375      
1 1 1 19 8  10 o 0 411.2  29.7  ?    ?   1137.63  39.5881      389.379    39.5881      337.126     -140.412     
1 1 1 19 8  11 o 0 207.8  16.4  ?    ?   451.037  -104.791     477.51     -104.791     187.562     -104.791     
1 1 1 19 8  12 o 0 167.4  13.5  ?    ?   476.842  -93.3012     379.406    -93.3012     74.0804     -93.3012     
1 1 1 19 8  13 o 0 12.1   6.2   ?    ?   245.791  55.3784      45.4885    -124.622     202.203     -124.622     
1 1 1 19 8  14 o 0 50.5   7.9   ?    ?   237.51   -9.73997     165.639    -9.73997     14.8915     -9.73997     
1 1 1 19 8  15 o 0 174.2  15    ?    ?   482.013  144.009      394.651    144.009      96.326      144.009      
1 1 1 19 8  16 o 0 32.8   9.6   ?    ?   101.226  178.61       92.8107    178.61       30.4838     178.61       
1 1 1 19 8  17 o 0 36.2   8.1   ?    ?   142.626  100.765      138.049    100.765      55.3791     100.765      
1 1 1 19 8  18 f 1 58.6   8.5   ?    ?   489.912  -177.508     104.109    -177.508     177.47      2.49168      
1 1 1 19 8  19 o 0 15.9   7.6   ?    ?   357.972  -89.3852     37.3596    90.6148      242.353     90.6148      
1 1 1 19 8  20 o 0 386    31.5  ?    ?   988.908  -3.00802     478.946    -3.00802     63.7963     176.992      
1 1 1 19 8  21 o 0 53.7   9.9   ?    ?   201.748  -25.0493     213.112    -25.0493     103.163     -25.0493     
1 1 1 19 8  22 o 0 5      15.1  ?    ?   143.346  26.609       16.6872    26.609       59.7769     -153.391     
1 1 1 19 8  23 f 1 10.7   15.6  ?    ?   167.179  -82.2098     37.8066    -82.2098     54.514      97.7902      
1 1 1 19 8  24 o 0 12.4   11.6  ?    ?   172.514  63.5573      36.6562    63.5573      80.8858     -116.443     
1 1 1 19 8  25 f 1 21.7   10.5  ?    ?   190.049  68.2479      97.2419    68.2479      33.35       -111.752     
1 1 1 19 8  26 o 0 8.6    10.2  ?    ?   214.635  -97.2851     7.28139    -97.2851     139.526     82.7149      
1 1 1 19 8  27 o 0 15.4   8.4   ?    ?   232.82   71.1587      36.6483    71.1587      121.027     -108.841     
1 1 1 19 8  28 o 0 41     8.7   ?    ?   136.512  -64.3581     244.048    -64.3581     154.546     -64.3581     
1 1 1 19 8  29 o 0 44.9   9.5   ?    ?   293.691  154.81       189.406    154.81       4.21583     154.81       
1 1 1 19 8  30 o 0 0.7    8.5   ?    ?   54.6368  113.013      12.6427    113.013      21.0271     -66.9867     
1 1 1 19 8  31 o 0 6.3    8.4   ?    ?   201.001  86.7008      17.2214    86.7008      98.2626     -93.2992     
1 1 1 19 8  32 o 0 6      10.2  ?    ?   134.451  -139.685     58.7644    -139.685     10.505      40.3153      
1 1 1 19 9  0  o 0 186.6  18.8  ?    ?   562.421  90           361.613    90           20.689      90           
1 1 1 19 9  1  o 0 443.6  29.3  ?    ?   1014.04  -159.494     486.175    -159.494     128.777     20.5057      
1 1 1 19 9  2  o 0 1022.2 66.6  ?    ?   1140.94  -166.276     980.853    -166.276     289.022     -166.276     
1 1 1 19 9  3  o 0 546.3  36    ?    ?   882.609  16.9417      684.214    16.9417      149.366     16.9417      
1 1 1 19 9  4  o 0 71.4   6.9   ?    ?   538.15   -4.36255     91.0411    -4.36255     234.713     175.637      
1 1 1 19 9  5  o 0 10.9   5.6   ?    ?   312.135  -75.2118     81.8472    104.788      270.501     104.788      
1 1 1 19 9  6  o 0 71.9   7.7   ?    ?   152.213  14.3707      226.379    14.3707      134.558     14.3707      
1 1 1 19 9  7  o 0 60.8   7.9   ?    ?   454.068  18.3229      106.113    18.3229      184.45      -161.677     
1 1 1 19 9  8  o 0 108.3  10    ?    ?   481.186  -72.264      237.553    -72.264      69.5587     107.736      
1 1 1 19 9  9  o 0 9.8    5.9   ?    ?   163.42   -122.326     39.557     57.6738      143.552     57.6738      
1 1 1 19 9  10 o 0 68.8   7.4   ?    ?   260.359  -91.3476     228.495    -91.3476     61.6434     -91.3476     
1 1 1 19 9  11 o 0 610.4  43.4  ?    ?   1098.58  -87.945      644.622    -87.945      56.9151     92.055       
1 1 1 19 9  12 o 0 46.5   7.3   ?    ?   463.506  85.9684      45.7958    85.9684      249.055     -94.0316     
1 1 1 19 9  13 o 0 7.7    6.3   ?    ?   205.492  117.505      58.9037    -62.4955     189.083     -62.4955     
1 1 1 19 9  14 o 0 63.8   8.5   ?    ?   372.775  -138.581     167.786    -138.581     62.588      41.4186      
1 1 1 19 9  15 o 0 67.6   9.1   ?    ?   324.265  -77.248      203.336    -77.248      3.89417     -77.248      
1 1 1 19 9  16 o 0 103.5  10.4  ?    ?   474.826  2.06529      248.743    2.06529      26.3011     -177.935     
1 1 1 19 9  17 o 0 8.9    7.3   ?    ?   129.681  -15.6401     9.66532    164.36       84.3764     164.36       
1 1 1 19 9  18 o 0 37.2   8.8   ?    ?   268.046  -36.5349     120.455    -36.5349     33.0784     143.465      
1 1 1 19 9  19 o 0 183.1  15.2  ?    ?   471.75   -142.3       434.382    -142.3       175.289     -142.3       
1 1 1 19 9  20 o 0 103.2  13.9  ?    ?   474.814  -70.6133     248.999    -70.6133     10.0728     109.387      
1 1 1 19 9  21 o 0 -13.7  10.4  ?    ?   152.569  56.3544      43.4502    -123.646     124.972     -123.646     
1 1 1 19 9  22 o 0 32.2   11    ?    ?   227.879  -121.312     114.905    -121.312     5.95814     58.6881      
1 1 1 19 9  23 o 0 11.6   8.6   ?    ?   119.425  27.0746      31.6463    27.0746      49.9482     -152.925     
1 1 1 19 9  24 o 0 176.4  20.5  ?    ?   474.754  90.063       480.976    90.063       152.824     90.063       
1 1 1 19 9  25 f 1 -16    9.3   ?    ?   205.3    -47.0851     80.2015    132.915      220.5       132.915      
1 1 1 19 9  26 o 0 20.8   10    ?    ?   157.26   8.82304      104.166    8.82304      2.81529     -171.177     
1 1 1 19 9  27 o 0 96.1   12.6  ?    ?   387.977  79.7836      321.164    79.7836      65.493      79.7836      
1 1 1 19 9  28 o 0 -7.4   8.2   ?    ?   249.693  5.21319      75.4779    -174.787     233.829     -174.787     
1 1 1 19 9  29 o 0 19.4   9.3   ?    ?   338.79   -179.631     12.0968    -179.631     200.422     0.368523     
1 1 1 19 9  30 o 0 1.7    9.1   ?    ?   44.7959  -148.349     14.4551    -148.349     13.009      31.6509      
1 1 1 19 9  31 o 0 10.1   10.4  ?    ?   80.7192  -89.3884     65.0729    -89.3884     18.9299     -89.3884     
1 1 1 19 9  32 o 0 43.8   10.7  ?    ?   210.602  -118.82      234.996    -118.82      127.032     -118.82      
1 1 1 19 10 0  o 0 9.5    6.6   ?    ?   165.788  90           21.7537    90           77.8775     -90          
1 1 1 19 10 1  o 0 79.6   7.4   ?    ?   342.289  -120.799     213.569    -120.799     7.74382     -120.799     
1 1 1 19 10 2  o 0 133.7  12.1  ?    ?   305.18   154.884      369.024    154.884      185.502     154.884      
1 1 1 19 10 3  o 0 384.7  25.9  ?    ?   1067.93  98.6388      374.033    98.6388      267.878     -81.3612     
1 1 1 19 10 4  o 0 33.8   5.6   ?    ?   331.914  -72.9413     53.9261    -72.9413     157.996     107.059      
1 1 1 19 10 5  o 0 262.6  18.2  ?    ?   854.542  56.3593      339.432    56.3593      205.441     -123.641     
1 1 1 19 10 6  o 0 15.2   5.7   ?    ?   195.81   36.023       15.4675    -143.977     140.101     -143.977     
1 1 1 19 10 7  o 0 195.9  15.3  ?    ?   480.723  -101.265     436.267    -101.265     130.934     -101.265     
1 1 1 19 10 8  o 0 29.1   6.3   ?    ?   228.633  -60.9184     71.0304    -60.9184     75.3239     119.082      
1 1 1 19 10 9  o 0 150.7  12.6  ?    ?   195.864  -115.021     468.355    -115.021     343.328     -115.021     
1 1 1 19 10 10 o 0 348.4  23.7  ?    ?   748.039  179.805      531.36     179.805      55.3447     179.805      
1 1 1 19 10 11 o 0 76.1   8     ?    ?   374.62   -123.647     198.851    -123.647     38.7233     56.3531      
1 1 1 19 10 12 o 0 29.7   7     ?    ?   131.919  -64.11       91.9539    -64.11       10.2832     -64.11       
1 1 1 19 10 13 f 1 38.9   8.1   ?    ?   233.839  -143.218     129.17     -143.218     14.6446     36.7817      
1 1 1 19 10 14 o 0 51.5   8     ?    ?   158.006  -157.115     190.864    -157.115     93.8606     -157.115     
1 1 1 19 10 15 o 0 368.8  26.9  ?    ?   534.119  -43.3737     700.802    -43.3737     391.857     -43.3737     
1 1 1 19 10 16 o 0 21.4   7.1   ?    ?   145.129  -116.909     58.9014    -116.909     24.6248     63.0911      
1 1 1 19 10 17 o 0 26.8   7.2   ?    ?   103.146  -98.3618     80.0653    -98.3618     21.0187     -98.3618     
1 1 1 19 10 18 o 0 26.1   8.2   ?    ?   40.9822  -19.15       42.7174    -19.15       20.2123     -19.15       
1 1 1 19 10 19 o 0 38.8   8.1   ?    ?   197.726  -78.9729     155.612    -78.9729     47.6925     -78.9729     
1 1 1 19 10 20 o 0 36.9   10    ?    ?   208.029  144.63       150.908    144.63       39.6636     144.63       
1 1 1 19 10 21 o 0 51.9   9.7   ?    ?   214.446  -109.904     209.189    -109.904     95.3026     -109.904     
1 1 1 19 10 22 o 0 8.7    10.2  ?    ?   17.6409  24.937       4.6063     24.937       5.12325     -155.063     
1 1 1 19 10 23 o 0 12.2   8.7   ?    ?   75.3015  -4.35493     29.4516    -4.35493     21.6895     175.645      
1 1 1 19 10 24 o 0 6.3    9.1   ?    ?   135.052  16.3957      14.0159    16.3957      78.7813     -163.604     
1 1 1 19 10 25 o 0 36.6   9.6   ?    ?   277.615  -91.1259     151.782    -91.1259     37.7269     88.8741      
1 1 1 19 10 26 o 0 17.1   9.1   ?    ?   187.007  93.5337      68.2411    93.5337      58.2403     -86.4663     
1 1 1 19 10 27 o 0 13.6   8.1   ?    ?   189.227  -64.1864     49.3064    -64.1864     74.6771     115.814      
1 1 1 19 10 28 f 1 69.3   10.3  ?    ?   231.775  36.658       323.143    36.658       177.364     36.658       
1 1 1 19 10 29 f 1 48.9   9.7   ?    ?   190.204  43.0895      262.177    43.0895      145.177     43.0895      
1 1 1 19 10 30 o 0 3      8.9   ?    ?   97.9664  -55.0045     33.2754    -55.0045     23.094      124.996      
1 1 1 19 10 31 o 0 10.8   9.9   ?    ?   144.374  -90.8729     76.6161    -90.8729     2.06853     -90.8729     
1 1 1 19 11 0  o 0 58.2   9.2   ?    ?   131.741  -90          139.157    -90          55.7397     -90          
1 1 1 19 11 1  o 0 47.6   6.1   ?    ?   406.062  49.6058      80.1489    49.6058      177.171     -130.394     
1 1 1 19 11 2  o 0 219.6  15.6  ?    ?   396.443  -0.352998    526.636    -0.352998    275.35      -0.352998    
1 1 1 19 11 3  o 0 298.8  20.4  ?    ?   1052.81  -165.592     275.126    -165.592     392.026     14.4084      
1 1 1 19 11 4  o 0 36.6   5.7   ?    ?   124.099  56.1887      106.139    56.1887      26.7461     56.1887      
1 1 1 19 11 5  o 0 246    18.5  ?    ?   700.653  -171.292     398.037    -171.292     49.6826     8.70811      
1 1 1 19 11 6  o 0 77.2   8.2   ?    ?   420.353  57.9748      179.419    57.9748      88.7636     -122.025     
1 1 1 19 11 7  f 1 289.5  21.6  ?    ?   597.89   -23.6031     531.87     -23.6031     152.145     -23.6031     
1 1 1 19 11 8  o 0 190.3  15.2  ?    ?   592.808  179.366      356.343    179.366      20.2509     -0.634153    
1 1 1 19 11 9  f 1 70.5   9     ?    ?   377.976  -4.91318     178.955    -4.91318     59.91       175.087      
1 1 1 19 11 10 o 0 76.9   8.8   ?    ?   421.78   -27.1703     175.58     -27.1703     90.8579     152.83       
1 1 1 19 11 11 o 0 196.8  14.7  ?    ?   673.553  120.596      329.279    120.596      86.2656     -59.404      
1 1 1 19 11 12 o 0 209.2  15.6  ?    ?   526.775  -169.011     436.064    -169.011     112.248     -169.011     
1 1 1 19 11 13 o 0 21.1   6.3   ?    ?   155.977  -59.9003     48.5362    -59.9003     46.968      120.1        
1 1 1 19 11 14 o 0 33.5   6.8   ?    ?   317.673  37.441       86.3233    37.441       97.0151     -142.559     
1 1 1 19 11 15 f 1 132.1  12.7  ?    ?   385.216  68.1559      362.662    68.1559      141.93      68.1559      
1 1 1 19 11 16 o 0 285.3  24.6  ?    ?   587.246  -165.437     538.144    -165.437     202.44      -165.437     
1 1 1 19 11 17 o 0 18.2   7.6   ?    ?   38.8358  -17.2447     20.3072    -17.2447     0.998624    162.755      
1 1 1 19 11 18 o 0 7.7    7     ?    ?   193.576  -137.041     22.5049    42.9585      128.105     42.9585      
1 1 1 19 11 19 o 0 65     9.5   ?    ?   293.141  54.7942      229.515    54.7942      72.7666     54.7942      
1 1 1 19 11 20 o 0 54.6   9.6   ?    ?   371.523  163.008      157.762    163.008      39.6244     -16.9924     
1 1 1 19 11 21 o 0 -3.7   9.7   ?    ?   119.437  -148.062     19.693     31.9377      85.6253     31.9377      
1 1 1 19 11 22 o 0 86.7   12.8  ?    ?   320.798  72.4027      335.372    72.4027      117.197     72.4027      
1 1 1 19 11 23 o 0 19.4   9.5   ?    ?   142.451  124.302      96.4679    124.302      1.60085     -55.6979     
1 1 1 19 11 24 o 0 88.7   12.7  ?    ?   289.928  -82.1668     356.906    -82.1668     158.505     -82.1668     
1 1 1 19 11 25 o 0 -1     10.1  ?    ?   125.465  -22.093      3.65172    157.907      88.7657     157.907      
1 1 1 19 11 26 o 0 25.2   8.5   ?    ?   141.399  -139.145     148.983    -139.145     56.0041     -139.145     
1 1 1 19 11 27 o 0 75.2   10.7  ?    ?   313.351  -71.2131     299.984    -71.2131     101.562     -71.2131     
1 1 1 19 11 28 o 0 16.4   8.6   ?    ?   139.075  22.6278      94.7758    22.6278      8.59584     22.6278      
1 1 1 19 11 29 o 0 71.7   10.6  ?    ?   336.9    -53.8006     269.675    -53.8006     63.1542     -53.8006     
1 1 1 19 11 30 o 0 6.8    10.4  ?    ?   88.3879  153.723      52.479     153.723      1.92406     153.723      
1 1 1 19 11 31 o 0 11.2   10.3  ?    ?   65.5996  16.6937      81.1374    16.6937      47.465      16.6937      
1 1 1 19 12 0  o 0 51.4   8.8   ?    ?   113.289  -90          119.435    -90          47.6407     -90          
1 1 1 19 12 1  o 0 10.7   5.3   ?    ?   171.607  54.7194      31.9399    -125.281     140.801     -125.281     
1 1 1 19 12 2  o 0 120.9  10.6  ?    ?   239.49   -98.713      383.969    -98.713      231.979     -98.713      
1 1 1 19 12 3  o 0 3.4    5.3   ?    ?   174.462  -41.2377     70.8399    138.762      181.554     138.762      
1 1 1 19 12 4  o 0 59.6   7     ?    ?   429.873  114.068      114.319    114.068      158.331     -65.932      
1 1 1 19 12 5  o 0 28.2   6.1   ?    ?   264.405  -155.616     55.2804    -155.616     112.254     24.3843      
1 1 1 19 12 6  o 0 367.6  26.8  ?    ?   949.817  156.18       431.846    156.18       169.144     -23.8202     
1 1 1 19 12 7  o 0 832.6  63.2  ?    ?   1131.18  22.6073      834.814    22.6073      120.351     22.6073      
1 1 1 19 12 8  o 0 209.9  18.3  ?    ?   516.414  -61.6362     444.481    -61.6362     125.56      -61.6362     
1 1 1 19 12 9  o 0 70.9   8.7   ?    ?   329.032  98.2355      212.588    98.2355      9.89774     98.2355      
1 1 1 19 12 10 o 0 49.9   7.4   ?    ?   332.223  34.6329      136.146    34.6329      67.9276     -145.367     
1 1 1 19 12 11 o 0 293.9  21    ?    ?   839.904  155.075      396.161    155.075      118.126     -24.9246     
1 1 1 19 12 12 o 0 36.5   6.6   ?    ?   211.339  -169.891     122.642    -169.891     6.31092     10.1093      
1 1 1 19 12 13 o 0 2.6    6.3   ?    ?   70.694   -48.5297     19.3045    131.47       59.9795     131.47       
1 1 1 19 12 14 o 0 60.2   8.5   ?    ?   428.647  -96.8445     139.687    -96.8445     105.917     83.1555      
1 1 1 19 12 15 o 0 191.3  15.7  ?    ?   612.88   172.812      364.977    172.812      15.393      172.812      
1 1 1 19 12 16 o 0 159.8  13.7  ?    ?   611.587  56.675       315.293    56.675       19.6342     -123.325     
1 1 1 19 12 17 o 0 7.9    6.9   ?    ?   156.195  170.41       13.4688    -9.59009     98.5612     -9.59009     
1 1 1 19 12 18 o 0 4.6    7.5   ?    ?   87.5374  -47.3877     7.24506    132.612      54.0104     132.612      
1 1 1 19 12 19 o 0 43.4   8.4   ?    ?   143.3    -12.1124     185.718    -12.1124     109.619     -12.1124     
1 1 1 19 12 20 o 0 -3.9   8.1   ?    ?   68.3964  160.661      14.9723    -19.3389     52.7294     -19.3389     
1 1 1 19 12 21 o 0 12.2   9.1   ?    ?   118.882  115.594      35.7531    115.594      45.1385     -64.4056     
1 1 1 19 12 22 o 0 40.7   9.6   ?    ?   234.141  -121.177     198.474    -121.177     37.1222     -121.177     
1 1 1 19 12 23 o 0 -4.2   8.8   ?    ?   75.383   153.513      12.6612    -26.4874     64.2111     -26.4874     
1 1 1 19 12 24 o 0 46.9   12.9  ?    ?   191.557  30.5851      239.379    30.5851      109.165     30.5851      
1 1 1 19 12 25 o 0 2.8    10.7  ?    ?   142.287  71.0448      15.8901    71.0448      77.9145     -108.955     
1 1 1 19 12 26 o 0 12.6   8.4   ?    ?   191.017  -73.9039     46.0697    -73.9039     75.2687     106.096      
1 1 1 19 12 27 o 0 -2     8.4   ?    ?   204.157  42.9676      35.2603    -137.032     163.696     -137.032     
1 1 1 19 12 28 o 0 72     10.4  ?    ?   308.012  -72.4704     290.397    -72.4704     100.768     -72.4704     
1 1 1 19 12 29 o 0 98     12.9  ?    ?   366.647  -149.749     343.862    -149.749     133.116     -149.749     
1 1 1 19 12 30 f 1 -4.4   9.5   ?    ?   101.656  -148.013     26.5861    -148.013     25.75       31.9874      
1 1 1 19 13 0  o 0 24.5   8.6   ?    ?   238.922  -90          94.3348    -90          55.5925     90           
1 1 1 19 13 1  f 1 413.6  32.1  ?    ?   635.353  175.168      680.677    175.168      282.525     175.168      
1 1 1 19 13 2  o 0 311.1  21.5  ?    ?   759      -103.429     462.647    -103.429     14.5312     76.5706      
1 1 1 19 13 3  o 0 341.1  23.4  ?    ?   747.441  16.2964      514.493    16.2964      44.5143     16.2964      
1 1 1 19 13 4  o 0 12.7   5.4   ?    ?   68.5851  142.157      3.77477    -37.8428     46.8853     -37.8428     
1 1 1 19 13 5  o 0 224.6  18.8  ?    ?   520.244  51.5393      467.874    51.5393      147.698     51.5393      
1 1 1 19 13 6  f 1 89.4   10.9  ?    ?   330.22   -68.6103     268.071    -68.6103     65.6109     -68.6103     
1 1 1 19 13 7  o 0 682    45.1  ?    ?   1035.08  -58.2165     759.203    -58.2165     123.983     -58.2165     
1 1 1 19 13 8  o 0 51.6   7.7   ?    ?   306.427  17.8018      153.988    17.8018      33.6895     -162.198     
1 1 1 19 13 9  o 0 -5.2   6.5   ?    ?   173.112  22.9023      78.6529    -157.098     184.429     -157.098     
1 1 1 19 13 10 o 0 185.3  14.3  ?    ?   731.997  100.356      268.426    100.356      177.633     -79.6437     
1 1 1 19 13 11 o 0 16.1   6.3   ?    ?   326.107  -149.347     20.4496    30.6528      207.982     30.6528      
1 1 1 19 13 12 o 0 73.2   8.5   ?    ?   342.283  -48.0269     224.725    -48.0269     28.5569     -48.0269     
1 1 1 19 13 13 o 0 13     6.2   ?    ?   137.813  -174.157     9.05893    -174.157     69.6292     5.84267      
1 1 1 19 13 14 o 0 38.1   7.3   ?    ?   296.695  19.0632      123.791    19.0632      38.983      -160.937     
1 1 1 19 13 15 o 0 22.6   6.8   ?    ?   337.717  53.8845      29.4297    53.8845      155.03      -126.116     
1 1 1 19 13 16 o 0 88.6   9.8   ?    ?   386.414  130.224      254.242    130.224      44.1916     130.224      
1 1 1 19 13 17 o 0 1.6    6.7   ?    ?   109.475  -6.94095     22.1521    173.059      80.5344     173.059      
1 1 1 19 13 18 o 0 33.5   7.3   ?    ?   145.145  101.301      142.829    101.301      65.8513     101.301      
1 1 1 19 13 19 o 0 37.6   8.5   ?    ?   427.443  -8.45447     58.0631    -8.45447     177.696     171.546      
1 1 1 19 13 20 o 0 24.8   8.3   ?    ?   344.905  115.767      40.1239    115.767      194.47      -64.2335     
1 1 1 19 13 21 o 0 29.2   12.6  ?    ?   195.958  142.652      137.237    142.652      2.1866      142.652      
1 1 1 19 13 22 f 1 6.8    9.1   ?    ?   110.226  -161.92      19.2422    -161.92      55.9844     18.0803      
1 1 1 19 13 23 f 1 128.9  14.3  ?    ?   240.819  -82.9002     503.422    -82.9002     339.964     -82.9002     
1 1 1 19 13 24 o 0 117.7  14.1  ?    ?   512.321  16.3264      306.628    16.3264      31.6696     -163.674     
1 1 1 19 13 25 o 0 116.6  14    ?    ?   416.006  -156.54      360.359    -156.54      88.018      -156.54      
1 1 1 19 13 26 o 0 4.6    7.5   ?    ?   25.3254  36.1065      7.77459    36.1065      8.20079     -143.893     
1 1 1 19 13 27 o 0 36.1   10    ?    ?   295.615  -133.129     144.5      -133.129     38.0948     46.8707      
1 1 1 19 13 28 o 0 45.6   9.4   ?    ?   252.61   95.6418      223.765    95.6418      78.0038     95.6418      
1 1 1 19 13 29 o 0 83.5   11.9  ?    ?   303.841  108.48       348.595    108.48       191.061     108.48       
1 1 1 19 14 0  o 0 42.4   8.8   ?    ?   199.272  90           147.736    90           26.4583     90           
1 1 1 19 14 1  o 0 113.8  10.5  ?    ?   273.95   104.731      356.79     104.731      189.823     104.731      
1 1 1 19 14 2  f 1 461.1  33.1  ?    ?   824.62   131.083      634.753    131.083      133.014     131.083      
1 1 1 19 14 3  o 0 59.6   7.5   ?    ?   539.004  -103.319     62.162     -103.319     266.758     76.6809      
1 1 1 19 14 4  f 1 103.7  9.3   ?    ?   448.942  -86.4921     245.852    -86.4921     27.3688     93.5079      
1 1 1 19 14 5  o 0 16.3   6.2   ?    ?   292.105  -87.8304     19.7853    92.1696      197.91      92.1696      
1 1 1 19 14 6  f 1 139.1  12.2  ?    ?   583.992  -141.195     256.95     -141.195     97.8864     38.8051      
1 1 1 19 14 7  o 0 446.7  32.4  ?    ?   900.192  154.727      568.239    154.727      20.6554     154.727      
1 1 1 19 14 8  o 0 35.8   7.2   ?    ?   272.404  80.8429      114.77     80.8429      41.7951     -99.1571     
1 1 1 19 14 9  o 0 53     7.5   ?    ?   231.036  -0.227114    199.546    -0.227114    67.0495     -0.227114    
1 1 1 19 14 10 o 0 117.5  10.3  ?    ?   446.865  -178.318     295.823    -178.318     40.2087     -178.318     
1 1 1 19 14 11 o 0 80.3   8.6   ?    ?   232.191  -18.4347     289.033    -18.4347     156.605     -18.4347     
1 1 1 19 14 12 o 0 12.4   6     ?    ?   151.117  -19.0049     12.5824    -19.0049     70.2974     160.995      
1 1 1 19 14 13 o 0 31.1   6.5   ?    ?   147.94   -125.451     123.537    -125.451     42.6935     -125.451     
1 1 1 19 14 14 o 0 16     6.5   ?    ?   119.6    84.5043      34.1861    84.5043      30.9103     -95.4957     
1 1 1 19 14 15 f 1 176.9  15.6  ?    ?   486.219  98.9694      414.443    98.9694      155.273     98.9694      
1 1 1 19 14 16 o 0 116.4  10.9  ?    ?   469.031  -98.116      291.136    -98.116      41.6627     -98.116      
1 1 1 19 14 17 o 0 16.2   6.7   ?    ?   214.956  -19.0133     34.3087    -19.0133     79.4438     160.987      
1 1 1 19 14 18 f 1 29.9   7.5   ?    ?   208.415  -147.294     121.27     -147.294     6.81197     -147.294     
1 1 1 19 14 19 o 0 245.6  22.7  ?    ?   558.392  -45.7731     585.069    -45.7731     205.756     -45.7731     
1 1 1 19 14 20 o 0 14.5   9     ?    ?   69.2256  -144.51      52.8867    -144.51      5.21667     -144.51      
1 1 1 19 14 21 o 0 20.6   9.5   ?    ?   219.159  83.4883      77.0257    83.4883      72.8797     -96.5117     
1 1 1 19 14 22 o 0 33.8   8.8   ?    ?   189.765  61.3968      183.837    61.3968      54.6811     61.3968      
1 1 1 19 14 23 o 0 20.4   12.6  ?    ?   118.148  28.4614      109.105    28.4614      31.0378     28.4614      
1 1 1 19 14 24 o 0 176.8  19.8  ?    ?   503.681  164.98       449.859    164.98       119.733     164.98       
1 1 1 19 14 25 o 0 22.8   9.5   ?    ?   224.843  -47.9281     96.8241    -47.9281     45.2507     132.072      
1 1 1 19 14 26 o 0 4.3    8.7   ?    ?   125.061  145.402      25.7194    145.402      51.7027     -34.5978     
1 1 1 19 14 27 o 0 30.3   9.3   ?    ?   219.543  -75.3136     157.693    -75.3136     30.6543     -75.3136     
1 1 1 19 14 28 o 0 40.4   9.2   ?    ?   277.135  82.9749      183.099    82.9749      24.3542     82.9749      
1 1 1 19 14 29 o 0 15.7   10.9  ?    ?   231.667  51.053       65.974     51.053       53.2661     -128.947     
1 1 1 19 15 0  o 0 101.5  14.7  ?    ?   456.677  90           265.805    90           9.16482     -90          
1 1 1 19 15 1  o 0 65.1   7.8   ?    ?   330.77   32.3905      188.498    32.3905      10.9951     -147.61      
1 1 1 19 15 2  f 1 737.2  48.6  ?    ?   981.527  -160.338     831.816    -160.338     240.708     -160.338     
1 1 1 19 15 3  o 0 23.6   6.2   ?    ?   58.5761  -82.5113     35.7891    -82.5113     0.401193    -82.5113     
1 1 1 19 15 4  o 0 41.3   7.1   ?    ?   233.239  65.5982      151.62     65.5982      18.2266     65.5982      
1 1 1 19 15 5  o 0 16     6.1   ?    ?   88.2326  -139.404     23.7983    -139.404     26.6439     40.5958      
1 1 1 19 15 6  o 0 91.7   10.2  ?    ?   150.706  48.7314      334.26     48.7314      248.173     48.7314      
1 1 1 19 15 7  o 0 123.9  12.4  ?    ?   355.448  127.278      354.498    127.278      151.713     127.278      
1 1 1 19 15 8  o 0 2.7    6.4   ?    ?   169.599  169.159      48.411     -10.8413     145.008     -10.8413     
1 1 1 19 15 9  o 0 8.5    6     ?    ?   88.7311  24.9643      8.33448    -155.036     58.7687     -155.036     
1 1 1 19 15 10 o 0 36.7   6.9   ?    ?   235.329  64.9753      139.055    64.9753      10.3199     64.9753      
1 1 1 19 15 11 o 0 65.4   9.6   ?    ?   300.128  77.7302      223.287    77.7302      59.5632     77.7302      
1 1 1 19 15 12 o 0 33.8   6.9   ?    ?   267.93   14.8998      114.096    14.8998      31.6016     -165.1       
1 1 1 19 15 13 o 0 15     6.6   ?    ?   85.1693  -140.482     24.0102    -140.482     22.1407     39.5177      
1 1 1 19 15 14 f 1 37.9   7     ?    ?   42.568   -122.533     83.5492    -122.533     60.9494     -122.533     
1 1 1 19 15 15 f 1 238.6  19.7  ?    ?   406.295  156.046      558.384    156.046      343.596     156.046      
1 1 1 19 15 16 o 0 -0.4   6.6   ?    ?   59.879   -148.597     12.9588    31.4027      46.0069     31.4027      
1 1 1 19 15 17 o 0 22.6   8.4   ?    ?   146.398  125.343      108.609    125.343      8.83885     125.343      
1 1 1 19 15 18 o 0 43.1   9.6   ?    ?   208.221  -175.413     224.747    -175.413     80.7726     -175.413     
1 1 1 19 15 19 f 1 6.5    8.1   ?    ?   216.033  140.846      17.3524    -39.1536     165.478     -39.1536     
1 1 1 19 15 20 o 0 156    16.3  ?    ?   574.481  -51.5        366.051    -51.5        27.2647     128.5        
1 1 1 19 15 21 o 0 7.7    7.8   ?    ?   116.298  -121.991     22.792     -121.991     56.3004     58.0092      
1 1 1 19 15 22 o 0 7.9    8.9   ?    ?   40.6033  -92.8502     21.6355    -92.8502     5.18575     87.1498      
1 1 1 19 15 23 o 0 30.9   8.9   ?    ?   235      122.903      146.602    122.903      7.45618     -57.0968     
1 1 1 19 15 24 o 0 181.3  17.6  ?    ?   479.649  -159.638     485.431    -159.638     182.126     -159.638     
1 1 1 19 15 25 o 0 37.4   9.7   ?    ?   239.393  4.62173      183.22     4.62173      34.8305     4.62173      
1 1 1 19 15 26 o 0 6.1    8.4   ?    ?   65.6438  9.92463      40.6563    9.92463      2.60265     9.92463      
1 1 1 19 15 27 f 1 45.5   9.3   ?    ?   356.258  85.1867      166.889    85.1867      37.1353     -94.8133     
1 1 1 19 15 28 o 0 37.9   9.6   ?    ?   326.815  179.404      159.44     179.404      9.26788     -0.595504    
1 1 1 19 16 0  o 0 55.6   11    ?    ?   105.904  -90          134.514    -90          74.8261     -90          
1 1 1 19 16 1  o 0 55.8   8     ?    ?   413.149  -1.39751     130.21     -1.39751     103.087     178.602      
1 1 1 19 16 2  o 0 387.3  30.7  ?    ?   772.068  -100.37      579.796    -100.37      143.24      -100.37      
1 1 1 19 16 3  o 0 238.3  17.3  ?    ?   629.189  96.713       439.04     96.713       82.987      96.713       
1 1 1 19 16 4  o 0 8.2    5.9   ?    ?   51.5927  18.9603      4.83913    -161.04      34.0439     -161.04      
1 1 1 19 16 5  o 0 75.5   9.4   ?    ?   348.145  63.9892      225.425    63.9892      28.3878     63.9892      
1 1 1 19 16 6  o 0 3.9    6.3   ?    ?   302.998  51.3736      93.0153    -128.626     264.393     -128.626     
1 1 1 19 16 7  f 1 70.3   8.6   ?    ?   487.472  -95.6088     153.453    -95.6088     111.585     84.3912      
1 1 1 19 16 8  o 0 -0.2   7     ?    ?   228.635  -48.2156     67.8519    131.784      192.296     131.784      
1 1 1 19 16 9  o 0 37     7.5   ?    ?   259.194  -128.031     131.412    -128.031     9.39825     51.9691      
1 1 1 19 16 10 o 0 320.1  26    ?    ?   661.223  -35.9441     554.286    -35.9441     195.887     -35.9441     
1 1 1 19 16 11 o 0 81.8   10.1  ?    ?   516.428  -98.8684     176.638    -98.8684     98.6616     81.1316      
1 1 1 19 16 12 o 0 133.6  12.7  ?    ?   460.576  131.57       334.383    131.57       89.6036     131.57       
1 1 1 19 16 13 o 0 7      6.4   ?    ?   100.805  46.5117      4.28666    -133.488     57.6774     -133.488     
1 1 1 19 16 14 o 0 5.9    6.3   ?    ?   129.488  153.38       13.3241    -26.6204     81.6465     -26.6204     
1 1 1 19 16 15 o 0 147.2  15.1  ?    ?   537.704  -40.0726     383.407    -40.0726     16.5974     -40.0726     
1 1 1 19 16 16 o 0 30.5   7     ?    ?   233.102  71.0068      142.762    71.0068      15.5292     -108.993     
1 1 1 19 16 17 o 0 -0.1   6.2   ?    ?   131.165  170.406      33.4449    -9.59404     123.857     -9.59404     
1 1 1 19 16 18 f 1 4.1    6.7   ?    ?   99.5779  85.7009      3.6049     -94.2991     71.7003     -94.2991     
1 1 1 19 16 19 o 0 19.4   9     ?    ?   31.7791  20.9888      48.054     20.9888      26.3442     20.9888      
1 1 1 19 16 20 o 0 29.6   9     ?    ?   180.711  -41.6329     162.157    -41.6329     39.4701     -41.6329     
1 1 1 19 16 21 o 0 16     8.3   ?    ?   161.938  -90.1748     77.6348    -90.1748     29.2038     89.8252      
1 1 1 19 16 22 f 1 -0.2   7.8   ?    ?   47.7719  -23.8173     3.08651    -23.8173     27.266      156.183      
1 1 1 19 16 23 o 0 15.3   9.8   ?    ?   185.213  70.2475      65.416     70.2475      51.675      -109.752     
1 1 1 19 16 24 o 0 7.1    9.6   ?    ?   202.669  -108.343     16.6265    -108.343     109.034     71.6572      
1 1 1 19 16 25 o 0 -11.8  8.4   ?    ?   189.246  171.946      38.6934    -8.05373     148.487     -8.05373     
1 1 1 19 16 26 o 0 -4.3   8.3   ?    ?   69.3193  60.4799      6.90568    60.4799      32.9486     -119.52      
1 1 1 19 16 27 o 0 12.8   7.7   ?    ?   235.867  146.39       50.6077    146.39       71.3836     -33.6104     
1 1 1 19 17 0  o 0 40.1   10    ?    ?   285.104  -90          154.989    -90          1.76542     -90          
1 1 1 19 17 1  o 0 72.2   8.4   ?    ?   462.771  138.929      169.113    138.929      80.1272     -41.0714     
1 1 1 19 17 2  f 1 151.5  14.7  ?    ?   505.794  118.307      346.259    118.307      74.1185     118.307      
1 1 1 19 17 3  o 0 51.8   8.2   ?    ?   557.03   -40.0256     54.211     -40.0256     246.58      139.974      
1 1 1 19 17 4  o 0 30.3   6.5   ?    ?   224.113  -108.863     110.516    -108.863     10.5667     71.1367      
1 1 1 19 17 5  o 0 97.7   10    ?    ?   513.92   -73.8861     216.83     -73.8861     60.837      106.114      
1 1 1 19 17 6  o 0 152.3  14    ?    ?   589.403  -14.7647     305.68     -14.7647     12.6318     165.235      
1 1 1 19 17 7  o 0 60     10    ?    ?   259.748  116.634      216.805    116.634      76.6484     116.634      
1 1 1 19 17 8  o 0 12.9   6.7   ?    ?   136.67   159.414      15.7669    159.414      57.8815     -20.5863     
1 1 1 19 17 9  o 0 2.3    6.7   ?    ?   86.1826  37.3029      15.262     -142.697     60.9808     -142.697     
1 1 1 19 17 10 o 0 120.9  12.1  ?    ?   477.471  -119.659     295.615    -119.659     42.8632     -119.659     
1 1 1 19 17 11 o 0 77.7   9.3   ?    ?   414.326  -142.936     212.357    -142.936     6.41477     37.0639      
1 1 1 19 17 12 f 1 101.9  12.3  ?    ?   640.162  137.939      153.012    137.939      198.674     -42.0608     
1 1 1 19 17 13 o 0 30.7   8.7   ?    ?   245.619  31.0679      109.838    31.0679      24.9978     -148.932     
1 1 1 19 17 14 o 0 4      6.2   ?    ?   195.516  -152.617     44.5659    27.3825      177.273     27.3825      
1 1 1 19 17 15 o 0 309.6  26    ?    ?   637.405  30.6209      642.361    30.6209      202.821     30.6209      
1 1 1 19 17 16 o 0 48.9   9.1   ?    ?   112.287  3.54268      276.762    3.54268      199.679     3.54268      
1 1 1 19 17 17 o 0 3.6    10.3  ?    ?   77.5274  -115.847     17.5699    -115.847     35.5072     64.1526      
1 1 1 19 17 18 o 0 -13.4  11.1  ?    ?   73.4963  50.084       12.3095    -129.916     62.3599     -129.916     
1 1 1 19 17 19 o 0 98.5   21.4  ?    ?   368.903  -175.192     316.475    -175.192     72.1225     -175.192     
1 1 1 19 17 20 o 0 36.1   8.4   ?    ?   205.046  80.6342      194.151    80.6342      59.1693     80.6342      
1 1 1 19 17 21 o 0 7.1    7.4   ?    ?   46.048   -8.94207     20.5004    -8.94207     8.78191     171.058      
1 1 1 19 17 22 o 0 57.2   9.6   ?    ?   193.731  116.785      295.206    116.785      172.88      116.785      
1 1 1 19 17 23 o 0 37.5   8.9   ?    ?   203.107  -137.108     204.772    -137.108     78.9302     -137.108     
1 1 1 19 17 24 o 0 66     10.5  ?    ?   426.609  -46.7211     214.292    -46.7211     33.1626     133.279      
1 1 1 19 17 25 o 0 45.2   9     ?    ?   296.744  63.5202      197.761    63.5202      27.0954     63.5202      
1 1 1 19 17 26 o 0 10.2   7.7   ?    ?   54.2491  81.0647      67.9496    81.0647      39.8673     81.0647      
1 1 1 19 18 0  o 0 5.3    7.8   ?    ?   63.0296  90           7.90203    90           25.561      -90          
1 1 1 19 18 1  o 0 51.7   7.2   ?    ?   402.07   -140.534     127.63     -140.534     86.3416     39.4662      
1 1 1 19 18 2  o 0 13.9   6.5   ?    ?   305.442  28.5901      18.0851    -151.41      180.928     -151.41      
1 1 1 19 18 3  o 0 0.5    5.9   ?    ?   155.637  4.19112      41.6309    -175.809     123.56      -175.809     
1 1 1 19 18 4  o 0 -4.5   7.4   ?    ?   167.293  177.03       49.1427    -2.97001     137.273     -2.97001     
1 1 1 19 18 5  o 0 54.8   10.8  ?    ?   275.849  -73.4787     196.909    -73.4787     51.5546     -73.4787     
1 1 1 19 18 6  o 0 36     6.7   ?    ?   219.375  -131.968     144.906    -131.968     29.3362     -131.968     
1 1 1 19 18 7  o 0 24.9   7.1   ?    ?   32.8875  128.89       37.412     128.89       20.0984     128.89       
1 1 1 19 18 8  o 0 12.2   6.4   ?    ?   255.828  154.433      5.03334    -25.5666     139.562     -25.5666     
1 1 1 19 18 9  o 0 5.3    6.6   ?    ?   73.101   143.311      6.38358    -36.6894     44.7642     -36.6894     
1 1 1 19 18 10 o 0 80.3   10.6  ?    ?   368.932  -164.102     232.644    -164.102     30.3988     -164.102     
1 1 1 19 18 11 o 0 52.3   9.6   ?    ?   196.064  -12.2518     266.85     -12.2518     133.783     -12.2518     
1 1 1 19 18 12 o 0 7.1    8.3   ?    ?   86.3876  -26.0986     7.62221    -26.0986     50.8442     153.901      
1 1 1 19 18 13 o 0 -1.7   7.4   ?    ?   107.405  57.2176      22.6958    -122.782     96.6126     -122.782     
1 1 1 19 18 14 o 0 8      7.8   ?    ?   160.927  -158.985     11.3883    -158.985     98.963      21.0149      
1 1 1 19 18 15 o 0 260.7  21.4  ?    ?   595.361  131.968      577.999    131.968      171.381     131.968      
1 1 1 19 18 16 o 0 39.5   8.7   ?    ?   223.645  -25.1002     198.589    -25.1002     46.184      -25.1002     
1 1 1 19 18 17 o 0 -2.1   10.7  ?    ?   140.86   -14.0397     7.24036    165.96       102.767     165.96       
1 1 1 19 18 18 o 0 16.3   11.6  ?    ?   85.753   170.684      82.9386    170.684      26.3462     170.684      
1 1 1 19 18 19 o 0 78.9   14.2  ?    ?   243.575  -68.3748     340.208    -68.3748     180.374     -68.3748     
1 1 1 19 18 20 o 0 19.6   10.2  ?    ?   207.48   18.9609      82.6268    18.9609      48.9548     -161.039     
1 1 1 19 18 21 f 1 36     10.8  ?    ?   168.797  81.8801      201.359    81.8801      96.486      81.8801      
1 1 1 19 18 22 o 0 10.8   9.4   ?    ?   116.99   35.9407      61.6361    35.9407      10.7254     -144.059     
1 1 1 19 18 23 o 0 18.7   8     ?    ?   185.985  81.5632      101.79     81.5632      5.96092     -98.4368     
1 1 1 19 18 24 o 0 69.6   12.2  ?    ?   236.801  51.0227      331.901    51.0227      208.292     51.0227      
1 1 1 19 18 25 o 0 17.4   8     ?    ?   123.301  28.4572      124.45     28.4572      60.6325     28.4572      
1 1 1 19 19 0  f 1 32.6   9.7   ?    ?   187.216  90           120.581    90           24.0557     90           
1 1 1 19 19 1  o 0 29.3   6.5   ?    ?   310.822  -128.469     79.8307    -128.469     81.2592     51.5313      
1 1 1 19 19 2  o 0 5      6.8   ?    ?   205.074  -127.879     32.5044    52.1209      139.006     52.1209      
1 1 1 19 19 3  o 0 23.7   7.9   ?    ?   381.953  134.937      15.4836    134.937      183.174     -45.0631     
1 1 1 19 19 4  o 0 13.5   6.9   ?    ?   136.283  -58.209      26.9395    -58.209      44.0118     121.791      
1 1 1 19 19 5  o 0 12.7   7.1   ?    ?   238.734  144.447      5.89856    144.447      124.189     -35.5531     
1 1 1 19 19 6  o 0 12.3   7.7   ?    ?   89.9982  156.222      26.3139    156.222      22.7256     -23.7778     
1 1 1 19 19 7  o 0 49.8   7.9   ?    ?   416.069  95.6606      138.51     95.6606      142.707     -84.3394     
1 1 1 19 19 8  o 0 7.2    8.2   ?    ?   125.628  -74.0217     4.81462    -74.0217     80.0149     105.978      
1 1 1 19 19 9  o 0 15.1   8.6   ?    ?   153.549  110.44       51.3821    110.44       52.1566     -69.5604     
1 1 1 19 19 10 o 0 14.1   6.7   ?    ?   116.544  -157.643     61.8513    -157.643     18.1704     22.3568      
1 1 1 19 19 11 o 0 1.3    7.4   ?    ?   261.288  -163.591     73.3369    16.409       252.339     16.409       
1 1 1 19 19 12 o 0 27.3   7.8   ?    ?   281.366  -68.7397     99.4901    -68.7397     92.7521     111.26       
1 1 1 19 19 13 o 0 5      7.2   ?    ?   75.456   -164.455     8.87028    -164.455     42.6387     15.5451      
1 1 1 19 19 14 o 0 6.3    7.6   ?    ?   123.064  19.2486      12.9529    19.2486      70.7611     -160.751     
1 1 1 19 19 15 o 0 42.2   8.5   ?    ?   266.366  153.273      188.074    153.273      7.58807     153.273      
1 1 1 19 19 16 o 0 4.8    10.6  ?    ?   33.724   -122.682     15.4692    -122.682     6.78814     57.3178      
1 1 1 19 19 17 o 0 -3.6   11.8  ?    ?   35.8617  -67.2926     7.10073    -67.2926     16.4548     112.707      
1 1 1 19 19 18 o 0 6.9    12.1  ?    ?   103.443  17.2784      46.5481    17.2784      19.1802     -162.722     
1 1 1 19 19 19 o 0 37.6   9.9   ?    ?   303.212  -69.5738     146.434    -69.5738     45.1448     110.426      
1 1 1 19 19 20 o 0 50     11.7  ?    ?   347.833  176.678      177.272    176.678      38.6931     -3.32246     
1 1 1 19 19 21 o 0 18.9   8.9   ?    ?   203.333  73.0023      82.8846    73.0023      42.5389     -106.998     
1 1 1 19 19 22 o 0 8.7    10.6  ?    ?   81.9716  -72.5334     60.3701    -72.5334     12.9852     -72.5334     
1 1 1 19 19 23 o 0 11.9   9.5   ?    ?   122.85   97.3347      88.0273    97.3347      24.01       97.3347      
1 1 1 19 20 0  o 0 6.9    13.8  ?    ?   76.9804  -90          22.1137    -90          28.8662     90           
1 1 1 19 20 1  o 0 39.9   8.5   ?    ?   274.228  94.5274      168.611    94.5274      13.5164     -85.4726     
1 1 1 19 20 2  o 0 115.1  11.7  ?    ?   471.852  170.764      330.035    170.764      15.9388     170.764      
1 1 1 19 20 3  o 0 5.1    6.2   ?    ?   147.962  178.135      21.1112    -1.86545     119.775     -1.86545     
1 1 1 19 20 4  o 0 20.3   7     ?    ?   250.866  49.3326      60.9834    49.3326      106.499     -130.667     
1 1 1 19 20 5  o 0 5.8    8     ?    ?   171.144  -169.664     14.5055    10.3358      128.841     10.3358      
1 1 1 19 20 6  o 0 276.1  28.4  ?    ?   630.068  31.8398      571.602    31.8398      142.125     31.8398      
1 1 1 19 20 7  o 0 26.9   7.7   ?    ?   63.0978  -11.6714     126.012    -11.6714     83.0155     -11.6714     
1 1 1 19 20 8  o 0 -9.2   6.5   ?    ?   54.5883  -48.4298     22.0056    131.57       59.1752     131.57       
1 1 1 19 20 9  o 0 -3.1   6.5   ?    ?   79.9092  102.792      23.0849    -77.2081     77.4291     -77.2081     
1 1 1 19 20 10 o 0 9.9    7.9   ?    ?   133.299  21.0635      29.282     21.0635      61.2198     -158.936     
1 1 1 19 20 11 o 0 36.6   7.8   ?    ?   229.16   -136.931     181.788    -136.931     26.1887     -136.931     
1 1 1 19 20 12 o 0 19.8   8     ?    ?   158.639  128.396      101.281    128.396      6.16091     -51.6037     
1 1 1 19 20 13 o 0 -19.9  8.2   ?    ?   44.8169  157.258      18.1126    -22.7419     48.376      -22.7419     
1 1 1 19 20 14 f 1 46.9   10.3  ?    ?   347.526  34.3122      163.518    34.3122      64.6866     -145.688     
1 1 1 19 20 15 f 1 33.5   7.4   ?    ?   454.809  68.2255      36.8792    68.2255      260.632     -111.774     
1 1 1 19 20 16 o 0 61.5   9.9   ?    ?   286.507  -118.23      265.554    -118.23      83.6162     -118.23      
1 1 1 19 20 17 o 0 10     8     ?    ?   131.528  133.177      46.1236    133.177      37.0079     -46.8226     
1 1 1 19 20 18 o 0 6.5    7.9   ?    ?   150.837  -110.24      26.4806    -110.24      67.2936     69.7601      
1 1 1 19 20 19 o 0 9.8    7.3   ?    ?   97.1556  15.0803      52.023     15.0803      8.04154     -164.92      
1 1 1 19 20 20 o 0 76.1   9.9   ?    ?   325.255  87.876       307.608    87.876       118.981     87.876       
1 1 1 19 20 21 o 0 11.1   6.8   ?    ?   182.579  -123.396     48.9061    -123.396     56.2914     56.604       
1 1 1 19 20 22 o 0 16.3   8.2   ?    ?   119.812  -82.591      116.7      -82.591      54.438      -82.591      
1 1 1 19 21 0  o 0 -4.8   9.1   ?    ?   19.8218  -90          2.52533    -90          10.6811     90           
1 1 1 19 21 1  o 0 34.5   7     ?    ?   169.416  -4.75727     193.125    -4.75727     79.8993     -4.75727     
1 1 1 19 21 3  o 0 6.5    8.1   ?    ?   48.7714  -91.8256     10.9511    -91.8256     21.7908     88.1744      
1 1 1 19 21 4  f 1 34.8   8.7   ?    ?   261.363  141.935      150.485    141.935      24.7737     -38.0647     
1 1 1 19 21 5  o 0 -2.3   6.6   ?    ?   60.1046  39.63        15.1437    -140.37      55.5874     -140.37      
1 1 1 19 21 6  o 0 139.2  14.5  ?    ?   480.38   -168.983     381.189    -168.983     57.1111     -168.983     
1 1 1 19 21 7  o 0 47.1   9     ?    ?   252.746  -29.2947     217.377    -29.2947     46.8847     -29.2947     
1 1 1 19 21 8  o 0 17.4   7.5   ?    ?   103.172  -14.5439     89.1412    -14.5439     19.5866     -14.5439     
1 1 1 19 21 9  o 0 10.2   7.5   ?    ?   63.3399  -58.3133     31.0326    -58.3133     11.624      121.687      
1 1 1 19 21 10 o 0 109.4  12.8  ?    ?   327.361  123.665      392.715    123.665      172.585     123.665      
1 1 1 19 21 11 o 0 97.6   13.7  ?    ?   374.615  161.233      330.17     161.233      84.2231     161.233      
1 1 1 19 21 12 o 0 26     10.5  ?    ?   368.813  17.6897      30.3362    17.6897      211.219     -162.31      
1 1 1 19 21 13 o 0 11.1   6.8   ?    ?   84.5942  -70.0924     47.0837    -70.0924     8.16397     109.908      
1 1 1 19 21 14 o 0 2.8    6.8   ?    ?   138.105  59.5626      2.69555    -120.437     90.1136     -120.437     
1 1 1 19 21 15 o 0 12.3   8.2   ?    ?   240.996  -55.3132     19.8416    -55.3132     132.137     124.687      
1 1 1 19 21 16 o 0 36.9   9.8   ?    ?   335.793  -24.9468     127.332    -24.9468     81.1595     155.053      
1 1 1 19 21 17 o 0 -1.2   8     ?    ?   38.4214  -130.484     4.70217    -130.484     19.0435     49.5161      
1 1 1 19 21 18 o 0 23.6   8.9   ?    ?   234.248  -21.7835     110.208    -21.7835     25.7295     158.216      
1 1 1 19 21 19 o 0 66     9.3   ?    ?   321.077  60.4308      272.126    60.4308      86.8269     60.4308      
1 1 1 19 21 20 o 0 42.7   8.1   ?    ?   278.617  159.098      214.885    159.098      69.717      159.098      
1 1 1 19 22 0  f 1 -4.2   8.8   ?    ?   51.5655  -90          6.92308    -90          26.9258     90           
1 1 1 19 22 1  o 0 81.1   11.5  ?    ?   282.717  -59.8313     324.528    -59.8313     137.844     -59.8313     
1 1 1 19 22 2  o 0 19.8   7.1   ?    ?   83.2553  -51.7971     99.7852    -51.7971     44.6577     -51.7971     
1 1 1 19 22 3  o 0 78.8   9.4   ?    ?   323.17   -163.9       298.303    -163.9       83.8464     -163.9       
1 1 1 19 22 4  o 0 12.5   6.6   ?    ?   119.479  -86.5829     52.5089    -86.5829     26.9082     93.4171      
1 1 1 19 22 5  o 0 3.1    6.7   ?    ?   145.57   -111.294     15.4207    68.7063      112.288     68.7063      
1 1 1 19 22 6  f 1 103.2  11.8  ?    ?   241.459  -155.15      427.243    -155.15      270.371     -155.15      
1 1 1 19 22 7  o 0 29.7   7.9   ?    ?   186.803  114.108      165.556    114.108      43.8692     114.108      
1 1 1 19 22 8  o 0 -6.9   7.2   ?    ?   103.399  53.1439      26.6075    -126.856     93.9366     -126.856     
1 1 1 19 22 9  o 0 -10.3  7.5   ?    ?   95.6125  -64.4599     28.2157    115.54       90.4197     115.54       
1 1 1 19 22 10 o 0 8.1    7.9   ?    ?   216.183  81.3888      5.11859    81.3888      131.461     -98.6112     
1 1 1 19 22 11 o 0 44     10.9  ?    ?   382.121  84.5217      129.4      84.5217      111.578     -95.4783     
1 1 1 19 22 12 o 0 3.1    9.8   ?    ?   69.7188  61.9526      20.9476    61.9526      22.9198     -118.047     
1 1 1 19 22 13 o 0 3.9    7.1   ?    ?   96.7886  -35.0123     18.9047    -35.0123     41.1421     144.988      
1 1 1 19 22 14 o 0 54.9   8.6   ?    ?   376.725  106.848      190.947    106.848      42.0294     -73.1517     
1 1 1 19 22 15 o 0 33.5   9.1   ?    ?   295.763  -20.7528     130.676    -20.7528     51.5691     159.247      
1 1 1 19 22 16 o 0 41.5   9.3   ?    ?   321.251  -116.126     169.328    -116.126     16.7252     63.874       
1 1 1 19 22 17 o 0 10.4   7.2   ?    ?   190.41   -97.4262     41.372     -97.4262     68.4056     82.5738      
1 1 1 19 22 18 o 0 -4.5   7.6   ?    ?   47.282   -49.3926     12.683     -49.3926     11.9519     130.607      
1 1 1 19 22 19 o 0 0.7    7     ?    ?   76.9716  179.624      27.5559    179.624      12.3297     -0.375694    
1 1 1 19 23 0  o 0 29.5   9.9   ?    ?   19.7281  -90          33.9112    -90          21.4004     -90          
1 1 1 19 23 1  o 0 16.8   7.4   ?    ?   175.59   178.302      77.7424    178.302      34.0111     -1.69839     
1 1 1 19 23 2  o 0 14.7   6.8   ?    ?   118.811  166.991      76.2783    166.991      0.43473     166.991      
1 1 1 19 23 3  o 0 -7.8   6.8   ?    ?   78.4096  -57.1452     22.4457    122.855      72.6203     122.855      
1 1 1 19 23 4  o 0 -4.4   7     ?    ?   26.1285  -81.8988     4.68068    98.1012      21.4317     98.1012      
1 1 1 19 23 5  o 0 -2.3   7.2   ?    ?   136.315  -98.7958     20.0721    81.2042      105.165     81.2042      
1 1 1 19 23 6  o 0 64.8   9.7   ?    ?   458.267  49.2508      175.52     49.2508      110.775     -130.749     
1 1 1 19 23 7  o 0 53     11.6  ?    ?   243.902  9.61832      244.071    9.61832      91.6525     9.61832      
1 1 1 19 23 8  o 0 -0.8   8.9   ?    ?   101.57   -163.77      4.16247    -163.77      59.297      16.2299      
1 1 1 19 23 9  o 0 -7.5   7.4   ?    ?   10.7305  103.536      1.95989    -76.4636     8.65943     -76.4636     
1 1 1 19 23 10 o 0 53.5   11.6  ?    ?   288.068  -135.41      225.499    -135.41      47.8908     -135.41      
1 1 1 19 23 11 o 0 59.1   11.7  ?    ?   212.904  135.72       287.853    135.72       156.805     135.72       
1 1 1 19 23 12 o 0 18.7   7.3   ?    ?   233.36   21.4978      73.2892    21.4978      70.0449     -158.502     
1 1 1 19 23 13 o 0 15.5   7.7   ?    ?   120.175  34.9333      102.3      34.9333      32.8199     34.9333      
1 1 1 19 23 14 f 1 49.2   8.3   ?    ?   347.569  -14.1511     192.76     -14.1511     7.06255     165.849      
1 1 1 19 23 15 o 0 54.2   8.8   ?    ?   350.186  63.9395      230.747    63.9395      48.066      63.9395      
1 1 1 19 23 16 o 0 21.8   7.7   ?    ?   211.044  -144.494     124.266    -144.494     14.6091     -144.494     
1 1 1 19 24 0  o 0 10.8   8.8   ?    ?   49.4617  90           23.2144    90           6.811       -90          
1 1 1 19 24 1  o 0 19.7   6.2   ?    ?   195.326  139.183      98.0587    139.182      20.9672     -40.8175     
1 1 1 19 24 2  o 0 14.5   6.3   ?    ?   148.708  56.3826      74.23      56.3826      16.6813     -123.617     
1 1 1 19 24 3  o 0 32.8   7.5   ?    ?   266.312  5.51754      143.848    5.51754      19.393      -174.482     
1 1 1 19 24 4  o 0 -10.4  6.6   ?    ?   128.921  112.214      37.1364    -67.7857     115.43      -67.7857     
1 1 1 19 24 5  o 0 7.5    6.9   ?    ?   76.4117  44.6449      35.2797    44.645       11.1966     -135.355     
1 1 1 19 24 6  o 0 83.8   9.6   ?    ?   362.8    -93.6415     299.94     -93.6415     79.0496     -93.6415     
1 1 1 19 24 7  f 1 11.1   7.3   ?    ?   123.673  75.0506      60.0944    75.0506      15.0471     -104.949     
1 1 1 19 24 8  o 0 -2.4   7.7   ?    ?   65.4602  31.2568      1.3467     31.2568      38.5272     -148.743     
1 1 1 19 24 9  o 0 6.6    8.2   ?    ?   57.1516  66.2319      38.6021    66.2319      5.76506     66.2319      
1 1 1 19 24 10 o 0 57.9   12.8  ?    ?   359.167  -168.551     206.574    -168.551     0.420377    -168.551     
1 1 1 19 24 11 o 0 111.8  16.5  ?    ?   386.72   -132.556     358.965    -132.556     137.329     -132.556     
1 1 1 19 24 12 o 0 35.6   7.4   ?    ?   318.528  16.6869      144.364    16.6869      37.8278     -163.313     
1 1 1 19 24 13 o 0 -1.6   6.8   ?    ?   156.159  -124.994     3.61357    -124.994     77.311      55.0058      
1 1 1 19 24 14 o 0 71.3   11.1  ?    ?   299.43   -16.8574     308.959    -16.8574     154.243     -16.8574     
1 1 1 19 25 0  o 0 16.7   9.3   ?    ?   85.9854  90           68.1154    90           20.2032     90           
1 1 1 19 25 1  o 0 7.7    6.2   ?    ?   14.7756  -148.701     11.7596    -148.701     3.49296     -148.701     
1 1 1 19 25 2  o 0 19.8   6.4   ?    ?   169.047  120.752      121.599    120.752      26.6921     120.752      
1 1 1 19 25 3  o 0 5.7    7.6   ?    ?   115.239  -61.8017     37.5363    -61.8017     27.3481     118.198      
1 1 1 19 25 4  o 0 0.9    7     ?    ?   87.2108  -77.9869     14.0956    -77.9869     35.1217     102.013      
1 1 1 19 25 5  o 0 15.1   7.1   ?    ?   81.7703  -159.463     95.746     -159.463     49.5177     -159.463     
1 1 1 19 25 6  o 0 16.5   7.3   ?    ?   252.342  -74.6417     54.9722    -74.6417     87.8611     105.358      
1 1 1 19 25 7  o 0 35.2   13.8  ?    ?   195.075  56.1122      162.422    56.1122      51.928      56.1122      
1 1 1 19 25 8  o 0 9.6    7.5   ?    ?   134.522  179.7        70.8285    179.7        1.6132      179.7        
1 1 1 19 25 9  o 0 16.2   8     ?    ?   225.718  36.7381      77.4181    36.7381      38.6808     -143.262     
1 1 1 19 25 10 o 0 14.6   7     ?    ?   141.847  136.067      101.546    136.067      28.6483     136.067      
1 1 1 19 25 11 o 0 5.1    6.8   ?    ?   161.609  172.699      32.5499    172.699      50.3924     -7.30064     
1 1 1 19 26 0  f 1 -5.7   8.4   ?    ?   73.7309  90           14.404     90           22.1862     -90          
1 1 1 19 26 1  o 0 -2.9   6.1   ?    ?   87.8204  34.7035      7.93073    34.7035      35.9521     -145.296     
1 1 1 19 26 2  o 0 30.4   7.7   ?    ?   224.212  -92.6939     171.29     -92.6939     58.8383     -92.6939     
1 1 1 19 26 3  o 0 0.8    6.7   ?    ?   115.067  -164.982     22.3871    -164.982     35.5033     15.0183      
1 1 1 19 26 4  o 0 4.1    7     ?    ?   118.524  -35.5957     38.9087    -35.5957     20.8726     144.404      
1 1 1 19 26 5  o 0 -5.7   6.8   ?    ?   66.5237  -162.309     6.92893    -162.309     26.6906     17.691       
1 1 1 19 26 6  o 0 34     6.7   ?    ?   329.905  16.21        148.082    16.21        18.882      -163.79      
1 1 1 20 0  0  o 0 5.2    10.8  ?    ?   217.891  180          10.8892    180          125.039     -1.30663e-14 
1 1 1 20 0  1  o 0 117.6  17.6  ?    ?   215.053  90           278.121    90           143.845     90           
1 1 1 20 0  2  o 0 -1.2   7.5   ?    ?   345.245  0            15.1172    0            200.495     180          
1 1 1 20 0  3  o 0 44     12.1  ?    ?   339.616  -90          162.828    -90          49.1825     90           
1 1 1 20 0  4  o 0 400.5  53.6  ?    ?   717.895  0            546.718    0            99.0013     0            
1 1 1 20 0  5  o 0 -1.4   8.8   ?    ?   331.742  90           16.9116    90           189.668     -90          
1 1 1 20 0  6  o 0 89.8   14.4  ?    ?   379.317  180          255.652    180          19.9196     180          
1 1 1 20 0  7  o 0 5.4    7.2   ?    ?   95.7308  90           8.52928    90           51.5029     -90          
1 1 1 20 0  8  o 0 79.1   13.9  ?    ?   465.213  180          239.948    180          50.9465     3.30474e-14  
1 1 1 20 0  9  o 0 22     8.3   ?    ?   61.7282  90           24.7614    90           13.7109     -90          
1 1 1 20 0  10 o 0 87.7   13.4  ?    ?   51.5413  0            92.4163    0            60.4098     0            
1 1 1 20 0  11 o 0 96.9   17.2  ?    ?   147.626  -90          228.638    -90          131.559     -90          
1 1 1 20 0  12 o 0 3.1    9     ?    ?   110.944  180          10.474     180          62.9159     1.16812e-15  
1 1 1 20 0  13 o 0 405.5  44.6  ?    ?   1100.41  -90          569.897    -90          154.61      90           
1 1 1 20 0  14 o 0 10.8   9.4   ?    ?   216.518  180          36.2764    180          105.561     2.41132e-15  
1 1 1 20 0  15 o 0 25.3   10.4  ?    ?   82.0313  -90          40.6374    -90          12.8105     90           
1 1 1 20 0  16 o 0 16.1   11.2  ?    ?   64.417   -7.17723e-16 19.2855    0            21.605      180          
1 1 1 20 0  17 o 0 829.3  77.6  ?    ?   1140.36  90           792.592    90           73.1387     90           
1 1 1 20 0  18 o 0 229.3  29.1  ?    ?   416.389  -3.75222e-15 414.923    0            167.866     5.52234e-15  
1 1 1 20 0  19 o 0 170.7  20.3  ?    ?   745.585  -90          356.875    -90          82.4625     90           
1 1 1 20 0  20 o 0 32.3   15    ?    ?   185.305  -3.53378e-17 106.63     0            2.05202     1.80094e-15  
1 1 1 20 0  21 o 0 24.5   14.6  ?    ?   394.78   -90          104.999    -90          116.083     90           
1 1 1 20 0  22 o 0 43.7   19.3  ?    ?   141.789  0            121.33     0            43.6649     0            
1 1 1 20 0  23 o 0 63.7   18.4  ?    ?   529.765  90           200.121    90           87.565      -90          
1 1 1 20 0  24 o 0 63.9   14.1  ?    ?   259.52   8.0858e-20   203.946    0            57.8435     -2.04233e-19 
1 1 1 20 0  25 o 0 26.1   12.3  ?    ?   256.733  90           136.564    90           44.6687     -90          
1 1 1 20 0  26 o 0 153.7  21.7  ?    ?   414.404  0            390.191    0            100.595     0            
1 1 1 20 0  27 o 0 2.8    11.9  ?    ?   69.5292  -90          19.5317    -90          28.6493     90           
1 1 1 20 0  28 f 1 -9.7   17.2  ?    ?   0.895219 0            0.243442   0            0.35515     180          
1 1 1 20 0  29 o 0 -7.7   12.5  ?    ?   127.341  90           24.2735    90           57.7706     -90          
1 1 1 20 0  30 o 0 28.9   14.2  ?    ?   185.786  180          127.46     180          9.22067     180          
1 1 1 20 0  32 o 0 23.8   14.7  ?    ?   122.302  180          95.8828    180          25.1427     180          
1 1 1 20 1  0  o 0 83.7   19    ?    ?   365.57   8.48219e-14  242.101    0            14.846      -1.29841e-12 
1 1 1 20 1  1  o 0 910.2  83.5  ?    ?   1393.62  -26.4552     762.231    -26.4552     104.799     153.545      
1 1 1 20 1  2  o 0 12.9   5.8   ?    ?   316.333  -85.0233     75.4036    94.9767      272.236     94.9767      
1 1 1 20 1  3  o 0 197.4  19.6  ?    ?   787.832  -31.3057     259.421    -31.3057     230.565     148.694      
1 1 1 20 1  4  o 0 145.6  13.5  ?    ?   274.291  36.482       421.138    36.482       250.719     36.482       
1 1 1 20 1  5  o 0 94.5   10.1  ?    ?   384.091  172.728      244.949    172.728      6.67593     172.728      
1 1 1 20 1  6  o 0 11     5.5   ?    ?   63.1049  25.3912      12.5776    -154.609     51.6467     -154.609     
1 1 1 20 1  7  o 0 173.2  14.6  ?    ?   393.121  148.11       430.04     148.11       184.448     148.11       
1 1 1 20 1  8  o 0 68.5   8.4   ?    ?   418.002  -103.185     148.581    -103.185     111.812     76.8151      
1 1 1 20 1  9  o 0 459.1  38.9  ?    ?   990.629  -23.3139     527.61     -23.3139     87.5105     156.686      
1 1 1 20 1  10 f 1 180.1  17    ?    ?   231.23   96.919       505.822    96.919       363.124     96.919       
1 1 1 20 1  11 o 0 16.5   7     ?    ?   139.069  48.3572      0.762206   48.3572      90.3608     -131.643     
1 1 1 20 1  12 o 0 65     8.5   ?    ?   411.708  110.308      148.265    110.308      123.123     -69.6918     
1 1 1 20 1  13 o 0 622.7  44.3  ?    ?   938.241  75.8418      778.805    75.8418      163.189     75.8418      
1 1 1 20 1  14 f 1 20.7   7.3   ?    ?   279.837  5.12017      1.75996    5.12017      180.475     -174.88      
1 1 1 20 1  15 o 0 7.4    7.6   ?    ?   80.1556  -99.2864     19.0078    80.7136      71.0649     80.7136      
1 1 1 20 1  16 o 0 -5.1   7.3   ?    ?   59.2246  3.55699      25.7929    -176.443     63.2703     -176.443     
1 1 1 20 1  17 o 0 46.1   8.5   ?    ?   325.264  -98.4853     126.547    -98.4853     78.0486     81.5147      
1 1 1 20 1  18 o 0 99.5   11.2  ?    ?   646.856  -25.8529     147.787    -25.8529     234.914     154.147      
1 1 1 20 1  19 o 0 36.4   8.9   ?    ?   315.643  85.7025      101.019    85.7025      84.467      -94.2975     
1 1 1 20 1  20 o 0 3.6    10.2  ?    ?   27.2154  115.857      1.31539    -64.1429     16.6348     -64.1429     
1 1 1 20 1  21 o 0 -3.9   9.9   ?    ?   114.846  141.762      26.397     -38.2379     90.5544     -38.2379     
1 1 1 20 1  22 o 0 103.3  15.1  ?    ?   197.682  -13.8877     378.169    -13.8877     270.138     -13.8877     
1 1 1 20 1  23 o 0 55.7   12.7  ?    ?   297.757  -65.7623     193.785    -65.7623     32.4379     -65.7623     
1 1 1 20 1  24 o 0 6.3    8.5   ?    ?   135.907  44.5839      0.140095   44.5839      94.6221     -135.416     
1 1 1 20 1  25 o 0 38.4   9.3   ?    ?   215.314  -17.9249     201.313    -17.9249     49.6008     -17.9249     
1 1 1 20 1  26 o 0 11.7   8.4   ?    ?   97.0331  171.364      44.4681    171.364      23.2259     -8.63554     
1 1 1 20 1  27 o 0 74.3   10.6  ?    ?   347.465  -114.467     277.096    -114.467     36.6875     -114.467     
1 1 1 20 1  28 o 0 -0.3   8.8   ?    ?   90.982   112.185      2.63008    112.185      58.2778     -67.8152     
1 1 1 20 1  29 o 0 16.2   9.6   ?    ?   141.313  -100.821     87.0937    -100.821     3.84102     79.1794      
1 1 1 20 1  30 o 0 11.8   8.3   ?    ?   134.13   138.848      57.6999    138.848      27.5727     -41.1517     
1 1 1 20 1  31 o 0 55.5   11.7  ?    ?   403.038  64.6046      165.895    64.6046      84.2386     -115.395     
1 1 1 20 1  32 o 0 1      10.2  ?    ?   43.373   -12.9453     22.0773    -12.9453     2.99092     167.055      
1 1 1 20 1  33 o 0 2.1    12.9  ?    ?   44.7787  88.3355      46.3574    88.3354      23.1759     88.3354      
1 1 1 20 2  0  o 0 89.1   15.8  ?    ?   555.96   -1.27142e-13 255.385    0            88.7487     180          
1 1 1 20 2  1  o 0 87.2   10.3  ?    ?   324.182  -43.736      249.847    -43.736      49.0323     -43.736      
1 1 1 20 2  2  f 1 1.3    7.9   ?    ?   296.574  124.282      122.647    -55.7178     305.906     -55.7178     
1 1 1 20 2  3  o 0 435.4  36.3  ?    ?   963.576  3.2583       525.19     3.2583       71.4651     -176.742     
1 1 1 20 2  4  o 0 176.9  16    ?    ?   527.379  -138.345     366.509    -138.345     40.2882     -138.345     
1 1 1 20 2  5  o 0 312.5  26.6  ?    ?   655.459  -174.555     532.224    -174.555     127.396     -174.555     
1 1 1 20 2  6  o 0 75     9.3   ?    ?   384.52   -29.4266     184.591    -29.4266     52.4263     150.573      
1 1 1 20 2  7  o 0 31.2   6.5   ?    ?   141.885  124.989      74.4257    124.989      13.8272     -55.0106     
1 1 1 20 2  8  o 0 297.2  23.5  ?    ?   511.535  -81.5425     584.597    -81.5425     267.312     -81.5425     
1 1 1 20 2  9  o 0 83.6   9.5   ?    ?   362.193  -92.537      222.074    -92.537      1.8687      87.463       
1 1 1 20 2  10 o 0 27.5   7     ?    ?   48.8765  -29.6091     28.4121    -29.6091     3.60512     150.391      
1 1 1 20 2  11 o 0 9.8    6.3   ?    ?   87.1359  -172.07      19.3373    7.93047      76.197      7.93047      
1 1 1 20 2  12 o 0 370.9  29.6  ?    ?   715.904  -97.5715     599.876    -97.5715     129.87      -97.5715     
1 1 1 20 2  13 o 0 16.7   7.2   ?    ?   102.899  -114.969     9.96478    -114.969     57.2856     65.0308      
1 1 1 20 2  14 o 0 252.4  19.4  ?    ?   446.639  92.4411      568.029    92.4411      277.535     92.4411      
1 1 1 20 2  15 o 0 95.8   10.1  ?    ?   268.344  10.2199      323.781    10.2199      153.647     10.2199      
1 1 1 20 2  16 o 0 56.1   8.5   ?    ?   386.712  -16.7009     135.781    -16.7009     108.05      163.299      
1 1 1 20 2  17 o 0 57.2   8.8   ?    ?   138.215  44.1276      212.437    44.1276      125.8       44.1276      
1 1 1 20 2  18 o 0 56.7   9     ?    ?   273.459  133.967      203.548    133.967      42.3031     133.967      
1 1 1 20 2  19 o 0 30.4   7.9   ?    ?   174.624  135.958      112.713    135.958      10.4267     135.958      
1 1 1 20 2  20 o 0 12.5   9.9   ?    ?   45.3147  144.328      10.8621    144.328      14.5666     -35.6722     
1 1 1 20 2  21 o 0 47.2   11.1  ?    ?   293.973  -173         161.36     -173         2.38095     6.99982      
1 1 1 20 2  22 o 0 -4.8   11.1  ?    ?   116.431  -86.3972     18.1333    93.6028      81.5827     93.6028      
1 1 1 20 2  23 o 0 31     13    ?    ?   276.828  17.8015      90.0475    17.8015      59.5589     -162.199     
1 1 1 20 2  24 o 0 35.7   8.6   ?    ?   266.494  163.656      157.853    163.656      27.4947     -16.3443     
1 1 1 20 2  25 o 0 -1.9   8.7   ?    ?   168.272  -6.57083     34.4571    173.429      152.742     173.429      
1 1 1 20 2  26 o 0 92.9   11.7  ?    ?   466.926  -120.399     266.86     -120.399     58.1612     59.6006      
1 1 1 20 2  27 o 0 3.9    8.8   ?    ?   47.4153  -78.1077     9.18804    -78.1077     23.5502     101.892      
1 1 1 20 2  28 o 0 -10.3  9.1   ?    ?   64.9523  -84.0881     11.6637    95.9119      55.0623     95.9119      
1 1 1 20 2  29 o 0 1.2    9     ?    ?   128.525  -50.0302     6.8425     -50.0302     75.716      129.97       
1 1 1 20 2  30 o 0 66.7   11.5  ?    ?   414.081  -37.1045     211.54     -37.1045     48.3068     142.896      
1 1 1 20 2  31 o 0 40.9   10.1  ?    ?   272.077  132.885      179.401    132.885      10.7939     132.885      
1 1 1 20 2  32 o 0 4.9    10    ?    ?   140.459  58.6403      37.6433    58.6403      43.4299     -121.36      
1 1 1 20 2  33 o 0 5.9    12.7  ?    ?   140.487  -32.6446     64.893     -32.6446     7.75015     147.355      
1 1 1 20 3  0  o 0 1065.8 113.2 ?    ?   1552.4   180          878.8      180          77.3513     -1.28067e-13 
1 1 1 20 3  1  o 0 41.1   6.7   ?    ?   175.964  139.582      113.223    139.582      4.76535     139.582      
1 1 1 20 3  2  o 0 54.5   7.8   ?    ?   198.792  -96.9313     168.706    -96.9313     46.1682     -96.9313     
1 1 1 20 3  3  o 0 43.8   7.9   ?    ?   174.533  -116.757     124.053    -116.757     16.5202     -116.757     
1 1 1 20 3  4  o 0 804.7  74.1  ?    ?   1037.81  -50.3355     873.54     -50.3355     234.778     -50.3355     
1 1 1 20 3  5  o 0 30.9   6     ?    ?   317.249  -161.208     39.5942    -161.208     155.376     18.792       
1 1 1 20 3  6  f 1 59.6   7.2   ?    ?   514.309  152.387      67.209     152.387      251.069     -27.6132     
1 1 1 20 3  7  o 0 76.8   7.5   ?    ?   140.342  -21.8215     243.291    -21.8215     156.423     -21.8215     
1 1 1 20 3  8  o 0 30     6     ?    ?   401.545  128.864      1.7649     128.864      246.102     -51.1365     
1 1 1 20 3  9  o 0 104.8  9.8   ?    ?   534.141  146.761      191.113    146.761      137.582     -33.239      
1 1 1 20 3  10 o 0 38.5   7.1   ?    ?   239.385  -177.568     110.175    -177.568     45.9082     2.4324       
1 1 1 20 3  11 o 0 -3.1   6.3   ?    ?   152.987  -77.4603     76.62      102.54       175.994     102.54       
1 1 1 20 3  12 f 1 158    13.9  ?    ?   429.78   148.261      393.605    148.261      113.43      148.261      
1 1 1 20 3  13 o 0 258.5  20.4  ?    ?   308.362  51.1417      651.999    51.1417      451.347     51.1417      
1 1 1 20 3  14 o 0 16.7   7.8   ?    ?   303.355  -112.897     35.667     67.1034      232.127     67.1034      
1 1 1 20 3  15 o 0 30.5   8.2   ?    ?   266.111  -127.141     79.6522    -127.141     88.3659     52.8587      
1 1 1 20 3  16 o 0 3.6    7.4   ?    ?   204.059  -126.838     64.2895    53.1623      192.434     53.1623      
1 1 1 20 3  17 o 0 189.3  16.5  ?    ?   463.717  -170.286     438.432    -170.286     148.901     -170.286     
1 1 1 20 3  18 o 0 118.2  11.9  ?    ?   429.076  113.883      313.923    113.883      61.8792     113.883      
1 1 1 20 3  19 o 0 2.7    7.7   ?    ?   42.3714  -25.8412     9.41072    154.159      34.1387     154.159      
1 1 1 20 3  20 o 0 59.7   11.8  ?    ?   249.574  -11.135      226.683    -11.135      87.1287     -11.135      
1 1 1 20 3  21 o 0 69.5   15.7  ?    ?   498.665  -38.2433     138.935    -38.2433     137.872     141.757      
1 1 1 20 3  22 o 0 59.9   13.3  ?    ?   331.987  165.407      194.694    165.407      14.3681     165.407      
1 1 1 20 3  23 o 0 103.3  13.7  ?    ?   433.809  116.121      275.185    116.121      41.4763     116.121      
1 1 1 20 3  24 o 0 67.9   10    ?    ?   269.918  -37.7857     304.331    -37.7857     117.165     -37.7857     
1 1 1 20 3  25 o 0 92.5   11.5  ?    ?   401.918  138.83       310.509    138.83       28.7937     138.83       
1 1 1 20 3  26 o 0 228.6  20.6  ?    ?   523.9    8.83784      569.648    8.83784      205.961     8.83784      
1 1 1 20 3  27 o 0 29     8.8   ?    ?   318.868  -47.5716     86.6216    -47.5716     132.975     132.428      
1 1 1 20 3  28 o 0 41.2   11    ?    ?   254.595  -125.536     190.08     -125.536     20.3845     -125.536     
1 1 1 20 3  29 o 0 -4.8   9.6   ?    ?   122.286  19.2743      6.85883    -160.726     85.2295     -160.726     
1 1 1 20 3  30 o 0 129.4  14    ?    ?   413.106  164.395      407.071    164.395      148.395     164.395      
1 1 1 20 3  31 o 0 68.5   9.9   ?    ?   416.538  -135.24      232.54     -135.24      10.576      44.7595      
1 1 1 20 3  32 o 0 5.2    8.7   ?    ?   80.8046  -157.223     56.9944    -157.223     14.7131     -157.223     
1 1 1 20 4  0  o 0 1022.2 132.7 ?    ?   1060     -2.45394e-14 849.041    0            199.82      7.97294e-14  
1 1 1 20 4  1  o 0 357.9  27.6  ?    ?   658.121  158.312      594.26     158.312      190.888     158.312      
1 1 1 20 4  2  o 0 124.9  10.3  ?    ?   430.187  -120.123     299.301    -120.123     35.6049     -120.123     
1 1 1 20 4  3  o 0 260.6  19.1  ?    ?   689.646  160.43       426.766    160.43       4.21942     160.43       
1 1 1 20 4  4  o 0 138.5  11.5  ?    ?   385.822  -118.343     352.75     -118.343     116.587     -118.343     
1 1 1 20 4  5  o 0 75.9   7.8   ?    ?   377.254  111.824      191.743    111.824      41.5        -68.1762     
1 1 1 20 4  6  o 0 35.6   6.4   ?    ?   277.267  108.115      80.9061    108.115      90.1953     -71.8848     
1 1 1 20 4  7  o 0 92.6   9.1   ?    ?   402.204  105.437      228.027    105.437      19.6053     -74.5633     
1 1 1 20 4  8  o 0 474.4  33.8  ?    ?   832.325  179.545      636.911    179.545      125.822     179.545      
1 1 1 20 4  9  o 0 566.6  37.6  ?    ?   860.817  -153.09      771.606    -153.09      211.305     -153.09      
1 1 1 20 4  10 o 0 46.3   7.1   ?    ?   444.993  7.0828       55.5106    7.0828       233.163     -172.917     
1 1 1 20 4  11 o 0 39.7   7     ?    ?   214.68   61.2933      128.684    61.2933      11.5034     -118.707     
1 1 1 20 4  12 o 0 119.1  10.7  ?    ?   507.895  15.7758      253.193    15.7758      77.1429     -164.224     
1 1 1 20 4  13 o 0 236.5  17.5  ?    ?   825.292  74.0176      309.143    74.0176      225.318     -105.982     
1 1 1 20 4  14 o 0 63.1   8.9   ?    ?   339.853  -46.6187     174.984    -46.6187     44.0877     133.381      
1 1 1 20 4  15 o 0 9.4    7.1   ?    ?   114.548  -8.95753     14.5028    171.042      86.4978     171.042      
1 1 1 20 4  16 o 0 54.3   8.8   ?    ?   358.148  137.125      142.277    137.125      81.6338     -42.8745     
1 1 1 20 4  17 o 0 45.1   8.7   ?    ?   142.385  -16.5526     179.634    -16.5526     95.8449     -16.5526     
1 1 1 20 4  18 o 0 42.3   8.8   ?    ?   67.8103  98.306       115.19     98.306       75.5245     98.306       
1 1 1 20 4  19 o 0 29.2   8.9   ?    ?   165.946  36.8107      104.454    36.8107      8.00249     36.8107      
1 1 1 20 4  20 o 0 84.9   13.8  ?    ?   355.995  140.355      261.711    140.355      63.4358     140.355      
1 1 1 20 4  21 o 0 260.7  27.6  ?    ?   769.214  159.67       409.975    159.67       15.3755     -20.3296     
1 1 1 20 4  22 o 0 102.8  15.8  ?    ?   287.015  -75.3218     340.853    -75.3218     185.533     -75.3218     
1 1 1 20 4  23 o 0 132    16.3  ?    ?   663.5    -60.3298     212.739    -60.3298     159.879     119.67       
1 1 1 20 4  24 f 1 5.9    8.4   ?    ?   95.4592  -63.3413     2.8825     -63.3413     62.9126     116.659      
1 1 1 20 4  25 o 0 79.9   12.8  ?    ?   394.281  -79.499      267.575    -79.499      7.86995     100.501      
1 1 1 20 4  26 o 0 44.3   11    ?    ?   265.022  141.123      198.539    141.123      14.7459     141.123      
1 1 1 20 4  27 o 0 5.9    9     ?    ?   154.7    43.2228      10.4288    43.2228      95.7836     -136.777     
1 1 1 20 4  28 o 0 27.2   9.2   ?    ?   147.889  61.7809      159.155    61.7809      60.8708     61.7809      
1 1 1 20 4  29 f 1 25.5   8.6   ?    ?   151.094  53.4346      151.229    53.4346      54.9147     53.4346      
1 1 1 20 4  30 o 0 26.8   8.9   ?    ?   187.121  -65.8987     147.547    -65.8987     30.6892     -65.8987     
1 1 1 20 4  31 o 0 -10.6  9.4   ?    ?   128.312  78.5322      7.333      -101.468     82.0342     -101.468     
1 1 1 20 4  32 o 0 0.1    11.3  ?    ?   127.796  -165.785     45.766     -165.785     20.9436     14.215       
1 1 1 20 5  0  o 0 1312.5 139   ?    ?   1518.71  -4.25117e-15 960.513    0            36.0733     1.08944e-13  
1 1 1 20 5  1  o 0 70.1   7.8   ?    ?   333.167  -116.902     189.444    -116.902     13.508      63.0985      
1 1 1 20 5  2  o 0 28.5   5.6   ?    ?   203.53   131.789      62.3427    131.789      63.0888     -48.2111     
1 1 1 20 5  3  o 0 41.8   6     ?    ?   489.441  -142.549     11.2215    -142.549     290.29      37.451       
1 1 1 20 5  4  o 0 42.8   6.9   ?    ?   161.9    33.2938      126.923    33.2938      27.2775     33.2938      
1 1 1 20 5  5  o 0 40.7   6.7   ?    ?   306.427  -31.9634     93.3889    -31.9634     94.9491     148.037      
1 1 1 20 5  6  o 0 23.6   6.5   ?    ?   235.79   55.519       29.7853    55.519       114.876     -124.481     
1 1 1 20 5  7  o 0 32.3   5.7   ?    ?   194.911  -69.1792     81.2886    -69.1792     38.0294     110.821      
1 1 1 20 5  8  o 0 164.1  12.5  ?    ?   359.458  145.747      444.33     145.747      210.975     145.747      
1 1 1 20 5  9  o 0 317.2  23.5  ?    ?   432.985  141.504      686.28     141.504      406.011     141.504      
1 1 1 20 5  10 o 0 288.4  21.6  ?    ?   693.195  19.316       483.412    19.316       31.5519     19.316       
1 1 1 20 5  11 o 0 14.1   6.5   ?    ?   187.872  -131.207     14.8508    48.7927      136.878     48.7927      
1 1 1 20 5  12 o 0 170    13.6  ?    ?   542.619  31.3971      350.636    31.3971      0.439442    -148.603     
1 1 1 20 5  13 f 1 330.8  24.4  ?    ?   800.551  -110.819     479.476    -110.819     34.9808     69.1807      
1 1 1 20 5  14 o 0 198    15.9  ?    ?   567.34   -133.934     400.212    -133.934     43.6557     -133.934     
1 1 1 20 5  15 o 0 54.9   8.4   ?    ?   226.075  70.5829      200.246    70.5829      58.8521     70.5829      
1 1 1 20 5  16 o 0 89.5   10.3  ?    ?   399.728  -151.616     235.946    -151.616     12.7634     28.3844      
1 1 1 20 5  17 f 1 97.2   11.6  ?    ?   272.72   44.7235      330.995    44.7235      171.67      44.7235      
1 1 1 20 5  18 o 0 119.6  12.3  ?    ?   586.592  38.5804      230.538    38.5804      111.018     -141.42      
1 1 1 20 5  19 o 0 38     10    ?    ?   312.487  -25.2631     116.669    -25.2631     57.7765     154.737      
1 1 1 20 5  20 o 0 75     12.5  ?    ?   254.335  177.603      273.45     177.603      132.411     177.603      
1 1 1 20 5  21 o 0 82.6   14.1  ?    ?   613.969  65.5911      128.809    65.5911      204.572     -114.409     
1 1 1 20 5  22 f 1 98.2   15.6  ?    ?   378.312  -33.8117     286.749    -33.8117     83.3874     -33.8117     
1 1 1 20 5  23 o 0 130.1  16.3  ?    ?   526.931  -136.521     279.988    -136.521     14.7529     43.4794      
1 1 1 20 5  24 o 0 31.7   10.7  ?    ?   137.833  149.8        163.87     149.8        68.9921     149.8        
1 1 1 20 5  25 o 0 111.3  13.3  ?    ?   342.018  70.9264      404.35     70.9264      166.313     70.9264      
1 1 1 20 5  26 o 0 18.1   9.9   ?    ?   117.875  167.4        93.7384    167.4        12.2891     167.4        
1 1 1 20 5  27 o 0 -0.9   9.1   ?    ?   83.6866  -117.271     3.58164    -117.271     52.4288     62.7294      
1 1 1 20 5  28 o 0 42.1   9.7   ?    ?   172.76   56.7428      236.398    56.7428      121.975     56.7428      
1 1 1 20 5  29 o 0 14.5   10.1  ?    ?   155.753  77.9669      71.5574    77.9669      27.6569     -102.033     
1 1 1 20 5  30 o 0 47.7   11.1  ?    ?   298.668  -67.0744     197.214    -67.0744     11.2805     -67.0744     
1 1 1 20 5  31 o 0 17.7   10.4  ?    ?   103.516  27.4613      109.756    27.4613      49.6727     27.4613      
1 1 1 20 5  32 o 0 14.8   9.7   ?    ?   184.208  122.758      82.448     122.758      13.43       -57.2423     
1 1 1 20 6  0  o 0 88.4   11.9  ?    ?   570.793  -180         250.305    180          98.7934     5.96923e-14  
1 1 1 20 6  1  o 0 118.3  10.6  ?    ?   557.353  -71.601      211.757    -71.601      129.401     108.399      
1 1 1 20 6  2  o 0 129.9  10.7  ?    ?   303.275  72.6909      367.988    72.6909      182.31      72.6909      
1 1 1 20 6  3  o 0 242.7  18    ?    ?   607.206  -76.8828     435.647    -76.8828     64.0076     -76.8828     
1 1 1 20 6  4  o 0 720.4  54.6  ?    ?   835.039  -19.1583     897.692    -19.1583     387.027     -19.1583     
1 1 1 20 6  5  o 0 105    10.5  ?    ?   607.955  60.7024      149.026    60.7024      222.29      -119.298     
1 1 1 20 6  6  o 0 120.5  11.4  ?    ?   531.533  -165.679     230.185    -165.679     93.9013     14.3212      
1 1 1 20 6  7  o 0 97.9   9.4   ?    ?   312.278  17.809       298.761    17.809       96.7494     17.809       
1 1 1 20 6  8  o 0 440    31.6  ?    ?   886.515  166.58       590.036    166.58       17.9645     166.58       
1 1 1 20 6  9  f 1 340    23.4  ?    ?   466.245  96.5962      700.95     96.5962      398.608     96.5962      
1 1 1 20 6  10 o 0 31.5   6.5   ?    ?   220.235  48.7681      86.4836    48.7681      56.2489     -131.232     
1 1 1 20 6  11 o 0 23.3   6.7   ?    ?   304.7    -88.4876     12.5267    -88.4876     184.263     91.5124      
1 1 1 20 6  12 o 0 323.8  24.1  ?    ?   743.168  96.925       502.223    96.925       24.0639     96.925       
1 1 1 20 6  13 o 0 210.8  15.9  ?    ?   627.582  168.804      389.676    168.804      4.37044     -11.196      
1 1 1 20 6  14 o 0 338    23.7  ?    ?   822.794  -102.931     482.917    -102.931     31.4225     77.0689      
1 1 1 20 6  15 o 0 70     8.8   ?    ?   375.524  176.887      188.431    176.887      45.2029     -3.1127      
1 1 1 20 6  16 o 0 46     8.2   ?    ?   440.967  -108.928     82.6627    -108.928     175.718     71.0722      
1 1 1 20 6  17 o 0 153.2  14    ?    ?   339.242  -144.249     437.557    -144.249     239.856     -144.249     
1 1 1 20 6  18 o 0 115.4  12.5  ?    ?   515.007  8.14368      256.606    8.14368      41.794      -171.856     
1 1 1 20 6  19 o 0 -1     8.5   ?    ?   66.9088  -44.9151     14.85      135.085      52.0221     135.085      
1 1 1 20 6  20 o 0 0.2    10    ?    ?   129.735  -30.8865     21.758     149.114      93.3631     149.114      
1 1 1 20 6  21 f 1 53.3   13.2  ?    ?   261.469  14.9212      199.202    14.9212      58.2421     14.9212      
1 1 1 20 6  22 o 0 88.6   20.4  ?    ?   311.373  141.395      279.67     141.395      112.614     141.395      
1 1 1 20 6  23 o 0 53.8   11.8  ?    ?   216.675  82.658       266.245    82.658       116.496     82.658       
1 1 1 20 6  24 o 0 12.1   8.7   ?    ?   93.0653  13.6959      46.9974    13.6959      18.0738     -166.304     
1 1 1 20 6  25 o 0 78.8   11.1  ?    ?   291.182  70.2377      327.895    70.2377      126.083     70.2377      
1 1 1 20 6  26 o 0 0.7    8.7   ?    ?   68.4362  44.2393      1.52845    44.2393      45.5677     -135.761     
1 1 1 20 6  27 f 1 3.7    10.4  ?    ?   8.92635  31.1359      3.73547    31.1359      2.19995     -148.864     
1 1 1 20 6  28 o 0 16.3   10.1  ?    ?   264.69   -137.622     33.5384    -137.622     136.281     42.3779      
1 1 1 20 6  29 o 0 60.9   10.1  ?    ?   304.08   -101.603     252.336    -101.603     59.3591     -101.603     
1 1 1 20 6  30 o 0 56.3   10.4  ?    ?   298.887  -73.687      234.286    -73.687      48.8881     -73.687      
1 1 1 20 6  31 o 0 27.5   10.3  ?    ?   213.868  102.784      133.848    102.784      10.1482     102.784      
1 1 1 20 6  32 o 0 -9.6   9.6   ?    ?   50.4426  104.185      14.6123    104.185      11.5537     -75.815      
1 1 1 20 7  0  o 0 23.6   7.5   ?    ?   137.223  -180         57.2967    180          26.028      3.46167e-13  
1 1 1 20 7  1  o 0 73.8   7.3   ?    ?   193.832  171.188      240.701    171.188      122.895     171.188      
1 1 1 20 7  2  o 0 8.9    5.3   ?    ?   90.2123  -56.502      22.2052    123.498      77.0516     123.498      
1 1 1 20 7  3  o 0 15.8   5.5   ?    ?   180.922  111.647      7.74918    -68.3533     117.721     -68.3533     
1 1 1 20 7  4  o 0 387.8  27.8  ?    ?   970.502  -105.867     439.103    -105.867     150.386     74.1333      
1 1 1 20 7  5  o 0 404.2  29    ?    ?   738.626  125.681      632.914    125.681      156.468     125.681      
1 1 1 20 7  6  o 0 120.9  10.8  ?    ?   393.751  -4.97728     320.479    -4.97728     66.8961     -4.97728     
1 1 1 20 7  7  o 0 60.3   7.5   ?    ?   236.195  140.721      200.68     140.721      48.8677     140.721      
1 1 1 20 7  8  o 0 558.6  39.5  ?    ?   880.891  -59.1719     732.74     -59.1719     162.054     -59.1719     
1 1 1 20 7  9  o 0 673    47.3  ?    ?   930.804  -86.2516     825.938    -86.2516     224.542     -86.2516     
1 1 1 20 7  10 o 0 341.6  23.4  ?    ?   752.876  124.577      524.751    124.577      39.7881     124.577      
1 1 1 20 7  11 o 0 37.4   6.9   ?    ?   167.209  -56.1309     118.91     -56.1309     11.5636     -56.1309     
1 1 1 20 7  12 o 0 540.1  37.6  ?    ?   1008.36  21.0784      621.531    21.0784      23.4494     -158.922     
1 1 1 20 7  13 o 0 130.5  11.6  ?    ?   468.439  21.6063      308.257    21.6063      15.826      21.6063      
1 1 1 20 7  14 o 0 29     7.8   ?    ?   256.991  -173.105     73.9093    -173.105     85.8315     6.89526      
1 1 1 20 7  15 o 0 -1.8   6.7   ?    ?   152.923  85.572       63.0765    -94.428      157.69      -94.428      
1 1 1 20 7  16 o 0 175.2  14.4  ?    ?   533.835  70.7834      384.886    70.7834      73.7936     70.7834      
1 1 1 20 7  17 o 0 44.3   8.3   ?    ?   382.817  113.703      103.33     113.703      118.572     -66.2972     
1 1 1 20 7  18 o 0 204.4  17    ?    ?   571.632  -142.463     429.011    -142.463     111.146     -142.463     
1 1 1 20 7  19 o 0 125.6  14.7  ?    ?   460.788  132.714      316.426    132.714      61.7469     132.714      
1 1 1 20 7  20 o 0 45.8   12.6  ?    ?   325.3    58.8966      144.772    58.8966      31.3874     -121.103     
1 1 1 20 7  21 o 0 98.2   16    ?    ?   426.737  113.572      262.361    113.572      32.8535     113.572      
1 1 1 20 7  22 o 0 189.6  21.2  ?    ?   700.182  -65.9164     307.251    -65.9164     83.8441     114.084      
1 1 1 20 7  23 o 0 54.6   12.4  ?    ?   214.215  -83.2028     267.844    -83.2028     120.499     -83.2028     
1 1 1 20 7  24 o 0 -1     8.6   ?    ?   79.634   -9.45806     7.49826    170.542      62.9188     170.542      
1 1 1 20 7  25 o 0 28.2   10.1  ?    ?   164.063  -95.2921     153.715    -95.2921     40.2764     -95.2921     
1 1 1 20 7  26 o 0 -7.5   9.8   ?    ?   116.215  -177.736     20.7291    2.26416      100.348     2.26416      
1 1 1 20 7  27 o 0 5.8    8.7   ?    ?   162.439  3.40055      12.8637    3.40055      94.9532     -176.599     
1 1 1 20 7  28 o 0 14.9   8.5   ?    ?   138.391  -83.9253     79.2396    -83.9253     9.17015     96.0747      
1 1 1 20 7  29 o 0 0.7    8.9   ?    ?   67.5853  -89.0831     16.0837    -89.0831     26.1456     90.9169      
1 1 1 20 7  30 o 0 26.7   9.3   ?    ?   117.496  74.4779      174.939    74.4779      106.436     74.4779      
1 1 1 20 7  31 o 0 47.1   11.4  ?    ?   266.503  170.696      228.242    170.696      88.797      170.696      
1 1 1 20 8  0  f 1 587.5  63.1  ?    ?   1069.32  -3.31388e-14 673.261    0            10.0739     180          
1 1 1 20 8  1  o 0 68.3   6.9   ?    ?   193.118  -109.086     234.937    -109.086     111.084     -109.086     
1 1 1 20 8  2  o 0 11.6   5.8   ?    ?   220.938  167.087      46.9616    -12.9131     188.721     -12.9131     
1 1 1 20 8  3  o 0 174.3  13.7  ?    ?   317.844  130.837      480.665    130.837      276.747     130.837      
1 1 1 20 8  4  o 0 280.4  20.7  ?    ?   669.305  125.573      483.869    125.573      54.7176     125.573      
1 1 1 20 8  5  o 0 449.9  32.2  ?    ?   965.791  -54.5824     549.493    -54.5824     69.1186     125.418      
1 1 1 20 8  6  o 0 35.3   6.7   ?    ?   155.607  94.4354      108.836    94.4353      8.28399     94.4353      
1 1 1 20 8  7  o 0 88.3   9     ?    ?   468.234  -37.2554     188.901    -37.2554     113.105     142.745      
1 1 1 20 8  8  o 0 248.5  17.7  ?    ?   659.758  108.231      430.488    108.231      5.89695     108.231      
1 1 1 20 8  9  o 0 308.6  21.6  ?    ?   362.603  -4.41212     699.544    -4.41212     466.789     -4.41212     
1 1 1 20 8  10 o 0 142.2  12.4  ?    ?   520.923  -88.5929     297.561    -88.5929     35.8465     91.4071      
1 1 1 20 8  11 o 0 -1.9   6.5   ?    ?   146.003  124.967      61.7558    -55.0328     153.026     -55.0328     
1 1 1 20 8  12 o 0 101.8  9.8   ?    ?   474.445  -111.155     230.808    -111.155     64.7237     68.845       
1 1 1 20 8  13 o 0 451.3  30.6  ?    ?   828.717  -144.127     630.502    -144.127     116.295     -144.127     
1 1 1 20 8  14 f 1 171.4  14.2  ?    ?   574.941  66.1931      336.256    66.1931      18.0753     -113.807     
1 1 1 20 8  15 o 0 -0.4   7.5   ?    ?   153.735  51.0509      47.706     -128.949     137.215     -128.949     
1 1 1 20 8  16 o 0 19.2   8.1   ?    ?   268.142  -130.773     20.902     -130.773     134.459     49.2268      
1 1 1 20 8  17 o 0 52.1   10.1  ?    ?   341.925  -0.168567    161.403    -0.168567    28.7316     179.831      
1 1 1 20 8  18 o 0 31.7   9.1   ?    ?   462.203  59.0864      17.395     59.0864      238.19      -120.914     
1 1 1 20 8  19 o 0 23.5   9.8   ?    ?   220.962  -49.6663     66.4231    -49.6663     55.0348     130.334      
1 1 1 20 8  20 f 1 35.4   11.1  ?    ?   304.998  -14.8995     110.008    -14.8995     53.8446     165.1        
1 1 1 20 8  21 o 0 44.3   11.3  ?    ?   284.431  -107.918     153.171    -107.918     6.01702     72.0819      
1 1 1 20 8  22 f 1 94.7   13.5  ?    ?   236.866  -17.0402     413.218    -17.0402     250.301     -17.0402     
1 1 1 20 8  23 o 0 3.5    10.5  ?    ?   71.2814  77.3348      13.5279    77.3348      36.2325     -102.665     
1 1 1 20 8  24 o 0 27.1   8.9   ?    ?   167.209  -36.8813     146.585    -36.8813     30.8029     -36.8813     
1 1 1 20 8  25 o 0 14     8.4   ?    ?   172.43   -45.7553     54.1492    -45.7553     64.4848     134.245      
1 1 1 20 8  26 o 0 16.8   8.7   ?    ?   242.98   -136.525     46.2551    -136.525     115.802     43.4747      
1 1 1 20 8  27 o 0 13.8   8.5   ?    ?   95.7902  -29.9085     74.309     -29.9085     12.7792     -29.9085     
1 1 1 20 8  28 o 0 5.2    8.6   ?    ?   120.387  37.087       23.1287    37.087       53.4194     -142.913     
1 1 1 20 8  29 o 0 9.1    9.2   ?    ?   111.361  168.74       52.8869    168.74       16.3754     -11.2603     
1 1 1 20 8  30 o 0 11.9   10    ?    ?   60.762   -146.621     65.887     -146.621     30.6211     -146.621     
1 1 1 20 8  31 o 0 16.8   10.8  ?    ?   226.325  -65.7566     73.5546    -65.7566     44.3453     114.243      
1 1 1 20 9  1  o 0 297.9  20.4  ?    ?   803.613  19.3131      428.103    19.3131      83.2047     -160.687     
1 1 1 20 9  2  o 0 0.2    5.9   ?    ?   135.451  -105.322     60.9353    74.6779      148.058     74.6779      
1 1 1 20 9  3  o 0 86.5   9.2   ?    ?   433.552  126.225      202.319    126.225      76.5592     -53.7748     
1 1 1 20 9  4  o 0 1223.1 85.1  ?    ?   1309.98  -86.0693     1069.44    -86.0693     227.185     -86.0693     
1 1 1 20 9  5  o 0 377.3  27.3  ?    ?   686.648  -56.4658     615.103    -56.4658     174.015     -56.4658     
1 1 1 20 9  6  o 0 65.6   7.8   ?    ?   340.185  -175.481     183.339    -175.481     34.9004     4.51873      
1 1 1 20 9  7  o 0 234.5  17.8  ?    ?   614.683  -1.82395     430.229    -1.82395     36.5686     -1.82395     
1 1 1 20 9  8  o 0 69.3   7.5   ?    ?   195.874  127.481      245.148    127.481      119.967     127.481      
1 1 1 20 9  9  f 1 166.1  12.8  ?    ?   345.278  157.717      446.073    157.717      226.516     157.717      
1 1 1 20 9  10 o 0 48.1   7.2   ?    ?   349.348  41.5996      122.683    41.5996      94.9458     -138.4       
1 1 1 20 9  11 o 0 27.2   6.3   ?    ?   257.372  -32.7242     64.8099    -32.7242     95.022      147.276      
1 1 1 20 9  12 o 0 107.6  10.7  ?    ?   347.11   75.8175      312.101    75.8175      97.2831     75.8175      
1 1 1 20 9  13 o 0 243.1  19.2  ?    ?   626.852  49.9112      439.687    49.9112      53.2051     49.9112      
1 1 1 20 9  14 o 0 -3.8   6.6   ?    ?   87.4842  -144.33      33.5055    35.6702      84.3533     35.6702      
1 1 1 20 9  15 o 0 2.1    7.7   ?    ?   115.483  -110.406     28.3692    69.5938      95.1931     69.5938      
1 1 1 20 9  16 o 0 1.5    7.9   ?    ?   155.116  -70.0737     40.792     109.926      130.121     109.926      
1 1 1 20 9  17 o 0 141.7  13.2  ?    ?   401.902  128.431      384.715    128.431      162.563     128.431      
1 1 1 20 9  18 o 0 8.1    8.9   ?    ?   118.034  -36.0711     1.30136    143.929      66.1866     143.929      
1 1 1 20 9  19 o 0 22.5   12.1  ?    ?   85.1667  -52.567      63.3457    -52.567      17.4487     -52.567      
1 1 1 20 9  20 o 0 7.3    9.2   ?    ?   141.398  176.788      1.02556    176.788      74.6974     -3.21208     
1 1 1 20 9  21 o 0 48     15    ?    ?   196.868  -52.4394     233.145    -52.4394     97.1788     -52.4394     
1 1 1 20 9  22 o 0 78.1   11.3  ?    ?   306.805  84.3213      317.13     84.3214      106.742     84.3214      
1 1 1 20 9  23 o 0 38     10.1  ?    ?   154.863  125.102      218.387    125.102      110.872     125.102      
1 1 1 20 9  24 o 0 41.9   9.5   ?    ?   229.629  60.5139      208.538    60.5139      50.0468     60.5139      
1 1 1 20 9  25 o 0 4.2    8.3   ?    ?   90.1661  174.385      9.55729    174.385      52.1474     -5.61494     
1 1 1 20 9  26 o 0 140.5  15.3  ?    ?   407.686  -108.877     436.594    -108.877     166.114     -108.877     
1 1 1 20 9  27 o 0 126.9  13.7  ?    ?   461.756  -132.13      371.713    -132.13      76.644      -132.13      
1 1 1 20 9  28 o 0 11.9   9.2   ?    ?   107.386  -170.964     70.1691    -170.964     3.00441     -170.964     
1 1 1 20 9  29 o 0 36.4   9.5   ?    ?   352.084  -108.604     128.122    -108.604     77.5041     71.3965      
1 1 1 20 9  30 o 0 97.2   14.1  ?    ?   333.294  163.978      375.622    163.978      200.797     163.978      
1 1 1 20 9  31 f 1 35.9   13    ?    ?   317.857  27.2955      126.575    27.2955      37.7805     -152.705     
1 1 1 20 10 0  o 0 1056.4 97.5  ?    ?   1323.73  -1.46623e-14 885.599    0            42.8457     2.88399e-13  
1 1 1 20 10 1  o 0 407.7  27.3  ?    ?   954.949  44.4484      488.628    44.4484      120.136     -135.552     
1 1 1 20 10 2  o 0 84.5   8.1   ?    ?   337.73   -74.3989     244.707    -74.3989     29.2506     -74.3989     
1 1 1 20 10 3  o 0 334.1  24.3  ?    ?   816.708  59.114       469.005    59.114       52.1275     -120.886     
1 1 1 20 10 4  o 0 23.6   6.3   ?    ?   323.55   -38.2128     6.33289    -38.2128     200.062     141.787      
1 1 1 20 10 5  o 0 628    48    ?    ?   1111.41  -123.215     652.412    -123.215     56.0419     56.7853      
1 1 1 20 10 6  o 0 59.1   7.8   ?    ?   563.276  -154.52      37.1667    -154.52      321.465     25.4804      
1 1 1 20 10 7  o 0 15.2   7.5   ?    ?   119.685  125.84       2.17471    125.84       73.9079     -54.1604     
1 1 1 20 10 8  o 0 44.6   7.1   ?    ?   384.902  -136.454     90.2102    -136.454     149.077     43.5465      
1 1 1 20 10 9  o 0 899    58.9  ?    ?   1077.63  175.654      946.989    175.654      278.589     175.654      
1 1 1 20 10 10 o 0 97.1   9     ?    ?   234.208  38.5769      332.432    38.5769      187.551     38.5769      
1 1 1 20 10 11 o 0 17     6.3   ?    ?   165.18   17.5691      20.0717    17.5691      81.8023     -162.431     
1 1 1 20 10 12 o 0 70.8   8.1   ?    ?   426.071  -130.137     179.595    -130.137     68.3189     49.8634      
1 1 1 20 10 13 o 0 75.5   9.4   ?    ?   352.395  -13.9244     229.375    -13.9244     25.0818     -13.9244     
1 1 1 20 10 14 o 0 61.5   8.8   ?    ?   223.6    42.0742      233.391    42.0742      104.282     42.0742      
1 1 1 20 10 15 o 0 64     9.5   ?    ?   330.251  -44.2694     209.408    -44.2694     26.2319     -44.2694     
1 1 1 20 10 16 o 0 14.3   7     ?    ?   63.9267  -151.385     17.772     -151.385     17.5193     28.6147      
1 1 1 20 10 17 o 0 74.5   9.5   ?    ?   374.087  -85.319      220.849    -85.319      15.3727     -85.319      
1 1 1 20 10 18 o 0 51.6   10.8  ?    ?   233.21   -38.0985     204.799    -38.0985     79.1622     -38.0985     
1 1 1 20 10 19 o 0 -11.2  11.6  ?    ?   192.865  70.9919      46.6578    -109.008     149.957     -109.008     
1 1 1 20 10 20 o 0 29.1   10.7  ?    ?   140.448  91.652       120.687    91.652       42.477      91.652       
1 1 1 20 10 21 o 0 67.1   15.9  ?    ?   417.524  -17.0373     198.885    -17.0373     87.7508     162.963      
1 1 1 20 10 22 o 0 59.2   10.7  ?    ?   325.359  -79.8047     231.997    -79.8047     5.74206     -79.8047     
1 1 1 20 10 23 o 0 1.1    8.9   ?    ?   170.346  -137.577     17.4569    42.4233      135.288     42.4233      
1 1 1 20 10 24 o 0 17.9   7.8   ?    ?   146.014  139.919      91.8028    139.919      8.39491     -40.0809     
1 1 1 20 10 25 o 0 5.2    8.6   ?    ?   68.0789  90.9805      20.2774    90.9805      25.0392     -89.0195     
1 1 1 20 10 26 o 0 79.5   12.8  ?    ?   244.381  138.901      352.351    138.901      195.58      138.901      
1 1 1 20 10 27 o 0 164.8  16.8  ?    ?   485.156  126.962      445.866    126.962      137.57      126.962      
1 1 1 20 10 28 f 1 -6.1   8.1   ?    ?   38.9109  84.4996      1.41176    -95.5004     25.5525     -95.5004     
1 1 1 20 10 29 o 0 -6.4   9.2   ?    ?   42.1126  54.4622      6.30152    54.4622      18.1598     -125.538     
1 1 1 20 10 30 o 0 23.8   10.9  ?    ?   164.169  -151.857     138.784    -151.857     53.1333     -151.857     
1 1 1 20 11 0  o 0 593.6  64.1  ?    ?   858.217  -1.3864e-14  658.814    0            117.289     6.40104e-14  
1 1 1 20 11 1  o 0 2.3    5.7   ?    ?   391.826  175.485      176.683    -4.51467     424.287     -4.51467     
1 1 1 20 11 2  o 0 23.2   5.6   ?    ?   199.748  13.0399      43.4876    13.0399      82.8528     -166.96      
1 1 1 20 11 3  o 0 43.5   6.9   ?    ?   241.303  148.714      135.425    148.714      17.2572     -31.2864     
1 1 1 20 11 4  o 0 51.7   7.5   ?    ?   482.588  36.8414      55.4157    36.8414      249.903     -143.159     
1 1 1 20 11 5  o 0 74.8   8.8   ?    ?   448.844  -29.5754     164.545    -29.5754     113.551     150.425      
1 1 1 20 11 6  f 1 7.9    6.3   ?    ?   258.912  178.07       67.1803    -1.93005     227.024     -1.93005     
1 1 1 20 11 7  o 0 38.7   7.2   ?    ?   215.55   93.4413      133.522    93.4413      0.29411     93.4413      
1 1 1 20 11 8  o 0 288    20.3  ?    ?   802.894  -179.724     412.257    -179.724     83.1034     0.276105     
1 1 1 20 11 9  f 1 141.1  11.7  ?    ?   460.453  -137.748     333.884    -137.748     51.1444     -137.748     
1 1 1 20 11 10 o 0 -9.9   6.6   ?    ?   111.932  20.5606      54.6888    -159.439     123.424     -159.439     
1 1 1 20 11 11 o 0 22.9   7.1   ?    ?   165.196  -171.951     71.8572    -171.951     23.8911     8.04937      
1 1 1 20 11 12 o 0 57.8   7.5   ?    ?   316.545  -163.887     186.482    -163.887     3.60067     -163.887     
1 1 1 20 11 13 o 0 596.7  40.1  ?    ?   857.614  89.1282      792.067    89.1282      298.349     89.1282      
1 1 1 20 11 14 o 0 59.5   8.4   ?    ?   366.434  -47.0464     177.707    -47.0464     25.0204     132.954      
1 1 1 20 11 15 o 0 2.1    6.7   ?    ?   101.361  -80.5925     23.439     99.4075      79.2785     99.4075      
1 1 1 20 11 16 o 0 41.1   8.6   ?    ?   172.617  104.099      168.47     104.099      73.8131     104.099      
1 1 1 20 11 17 o 0 -2.7   9.4   ?    ?   129.651  -15.7215     24.6348    164.278      94.3969     164.278      
1 1 1 20 11 18 o 0 59.9   10.7  ?    ?   217      139.409      238.1      139.409      121.961     139.409      
1 1 1 20 11 19 o 0 36.1   10.4  ?    ?   230.893  -117.957     140.287    -117.957     11.7468     -117.957     
1 1 1 20 11 20 o 0 30.7   9.7   ?    ?   140.125  128.267      160.885    128.267      64.6673     128.267      
1 1 1 20 11 21 f 1 76.2   10.6  ?    ?   310.944  -165.87      309.358    -165.87      93.5308     -165.87      
1 1 1 20 11 22 o 0 36.4   9.1   ?    ?   205.121  -84.101      191.189    -84.101      49.4424     -84.101      
1 1 1 20 11 23 o 0 29     11.2  ?    ?   241.519  -72.1318     117.847    -72.1318     48.1777     107.868      
1 1 1 20 11 24 f 1 10.2   9.5   ?    ?   249.856  -122.95      0.655114   -122.95      165.614     57.05        
1 1 1 20 11 25 o 0 23.7   9.4   ?    ?   180.173  -5.49452     121.142    -5.49452     1.94014     -5.49452     
1 1 1 20 11 26 o 0 96.2   13.2  ?    ?   378.062  44.9323      330.096    44.9323      89.0294     44.9323      
1 1 1 20 11 27 o 0 96.9   12.9  ?    ?   439.44   86.1832      297.061    86.1832      22.6239     86.1832      
1 1 1 20 11 28 o 0 10.9   8.7   ?    ?   77.6926  12.3927      69.3991    12.3927      24.0617     12.3927      
1 1 1 20 11 29 f 1 37.7   11.7  ?    ?   102.395  102.752      236.658    102.752      183.093     102.752      
1 1 1 20 12 0  o 0 311.4  30.1  ?    ?   806.749  180          475.474    180          18.6873     -2.20724e-13 
1 1 1 20 12 1  o 0 60.9   7.3   ?    ?   400.214  -150.599     142.871    -150.599     102.682     29.4012      
1 1 1 20 12 2  o 0 69.2   7.5   ?    ?   221.727  17.5481      249.089    17.5481      112.897     17.5481      
1 1 1 20 12 3  o 0 12.2   6.2   ?    ?   105.686  -150.914     1.79618    29.0861      66.748      29.0861      
1 1 1 20 12 4  o 0 113.9  10.9  ?    ?   486.843  115.478      252.419    115.478      46.8031     -64.5221     
1 1 1 20 12 5  o 0 -9.4   6.5   ?    ?   136.633  -73.8536     66.7916    106.146      150.735     106.146      
1 1 1 20 12 6  f 1 0.4    6.4   ?    ?   212.872  2.86304      83.7926    -177.137     214.13      -177.137     
1 1 1 20 12 7  o 0 10     6.7   ?    ?   214.02   3.94555      36.5348    -176.054     167.747     -176.054     
1 1 1 20 12 8  o 0 45.6   7.8   ?    ?   171.339  -0.826973    167.035    -0.826973    62.1622     -0.826973    
1 1 1 20 12 9  f 1 75.4   9     ?    ?   424.086  115.61       194.102    115.61       50.4787     -64.39       
1 1 1 20 12 10 o 0 127.9  11.1  ?    ?   325.405  131.308      382.709    131.308      195.007     131.308      
1 1 1 20 12 11 o 0 31.9   6.7   ?    ?   192.278  -147.296     117.637    -147.296     7.03058     -147.296     
1 1 1 20 12 12 o 0 55     7.7   ?    ?   388.851  42.3854      140.897    42.3854      82.094      -137.615     
1 1 1 20 12 13 o 0 262.9  20.3  ?    ?   566.188  -88.8847     529.408    -88.8847     217.239     -88.8847     
1 1 1 20 12 14 o 0 10.9   7.3   ?    ?   176.736  -110.061     0.430092   -110.061     96.6437     69.9391      
1 1 1 20 12 15 o 0 39.1   8     ?    ?   128.389  129.569      154.811    129.569      84.5854     129.569      
1 1 1 20 12 16 o 0 13.9   6.9   ?    ?   82.0774  27.5579      25.9854    27.5579      18.0866     -152.442     
1 1 1 20 12 17 o 0 125.3  12.4  ?    ?   408.198  -40.8703     341.643    -40.8703     123.529     -40.8703     
1 1 1 20 12 18 o 0 28.7   9.2   ?    ?   71.2785  -123.198     96.2194    -123.198     56.5841     -123.198     
1 1 1 20 12 19 o 0 8.4    11.4  ?    ?   50.8148  63.9741      16.3948    63.9741      18.4733     -116.026     
1 1 1 20 12 20 o 0 -6.6   10.6  ?    ?   57.0963  -51.6043     5.63195    128.396      45.3565     128.396      
1 1 1 20 12 21 o 0 48.9   9.4   ?    ?   329.128  110.649      184.632    110.649      42.8723     -69.3508     
1 1 1 20 12 22 f 1 91.7   13.4  ?    ?   308.316  125.557      356.309    125.557      144.744     125.557      
1 1 1 20 12 23 o 0 2.1    9.8   ?    ?   52.6171  28.4333      13.375     28.4333      21.776      -151.567     
1 1 1 20 12 24 o 0 37.1   8.5   ?    ?   192.901  -2.20359     205.75     -2.20359     77.891      -2.20359     
1 1 1 20 12 25 o 0 18     9.4   ?    ?   132.986  -110.643     100.632    -110.643     15.6307     -110.643     
1 1 1 20 12 26 o 0 98.8   12.9  ?    ?   303.954  -27.6306     383.147    -27.6306     192.759     -27.6306     
1 1 1 20 12 27 o 0 95     11.7  ?    ?   385.661  -96.2611     337.057    -96.2611     111.204     -96.2611     
1 1 1 20 12 28 o 0 -5.7   8.7   ?    ?   67.3559  8.75357      6.28859    8.75357      32.7686     -171.246     
1 1 1 20 12 29 o 0 34.9   13.8  ?    ?   256.648  -135.535     144.244    -135.535     10.4822     -135.535     
1 1 1 20 13 0  o 0 766.8  82.4  ?    ?   998.5    180          729.799    180          124.142     -180         
1 1 1 20 13 1  o 0 169.9  15.1  ?    ?   400.589  -57.9994     422.008    -57.9994     178.571     -57.9994     
1 1 1 20 13 2  o 0 -2.8   5.8   ?    ?   117.097  76.0687      52.0896    -103.931     123.341     -103.931     
1 1 1 20 13 3  o 0 72     8.8   ?    ?   450.389  -24.5363     151.734    -24.5363     122.527     155.464      
1 1 1 20 13 4  o 0 955.2  67    ?    ?   1146.72  97.8684      930.129    97.8684      231.662     97.8684      
1 1 1 20 13 5  o 0 84     9.3   ?    ?   394.985  -37.782      217.572    -37.782      22.9617     142.218      
1 1 1 20 13 6  o 0 93.2   11    ?    ?   420.865  -89.5728     246.274    -89.5728     3.83023     -89.5728     
1 1 1 20 13 7  o 0 66.8   9.7   ?    ?   312.945  -90.2964     217.219    -90.2964     37.1392     -90.2964     
1 1 1 20 13 8  o 0 71.9   8     ?    ?   355.573  -0.930871    215.201    -0.930871    10.8965     -0.930871    
1 1 1 20 13 9  f 1 559.5  39.8  ?    ?   838.348  111.656      760.197    111.656      280.641     111.656      
1 1 1 20 13 10 o 0 8      6.6   ?    ?   111.135  135.202      12.4995    -44.7982     76.0919     -44.7982     
1 1 1 20 13 11 o 0 32.1   6.9   ?    ?   152.442  -68.9481     129.566    -68.9481     45.6303     -68.9481     
1 1 1 20 13 12 o 0 11.7   7     ?    ?   152.93   -45.801      8.56187    -45.801      75.3913     134.199      
1 1 1 20 13 13 o 0 258.2  20.8  ?    ?   642.614  10.2222      475.956    10.2222      124.362     10.2222      
1 1 1 20 13 14 f 1 59.2   8.2   ?    ?   534.069  157.548      99.377     157.548      186.972     -22.4523     
1 1 1 20 13 15 o 0 5.9    6.9   ?    ?   156.789  105.545      16.0919    -74.4555     100.031     -74.4555     
1 1 1 20 13 16 o 0 37.9   7.7   ?    ?   75.5296  -86.4255     128.105    -86.4255     87.8488     -86.4255     
1 1 1 20 13 17 o 0 136.1  14.6  ?    ?   456.211  -116.998     330.284    -116.998     77.1231     -116.998     
1 1 1 20 13 18 o 0 -1.6   8.5   ?    ?   158.517  -136.392     39.4307    43.6081      148.029     43.6081      
1 1 1 20 13 19 o 0 18.5   9.1   ?    ?   156.151  90.3993      88.6664    90.3993      19.8532     -89.6007     
1 1 1 20 13 20 o 0 0.8    15.5  ?    ?   61.8143  37.546       23.8144    37.546       18.8865     -142.454     
1 1 1 20 13 21 o 0 28.6   14.2  ?    ?   166.537  -61.4572     141.59     -61.4572     27.0357     -61.4572     
1 1 1 20 13 22 o 0 70.4   11.3  ?    ?   170.054  -66.1054     360.877    -66.1054     247.232     -66.1054     
1 1 1 20 13 23 o 0 28.5   8.6   ?    ?   140.746  138.267      176.094    138.267      82.7227     138.267      
1 1 1 20 13 24 o 0 -6.7   7.6   ?    ?   75.2334  154.186      13.3048    -25.8136     61.4596     -25.8136     
1 1 1 20 13 25 o 0 125.3  13    ?    ?   454.721  -118.043     374.542    -118.043     89.1602     -118.043     
1 1 1 20 13 26 o 0 103.6  12.4  ?    ?   423.397  -163.67      325.178    -163.67      61.7822     -163.67      
1 1 1 20 13 27 o 0 11.7   8.7   ?    ?   81.1954  -62.0762     72.3717    -62.0762     25.1437     -62.0762     
1 1 1 20 13 28 f 1 3.5    11    ?    ?   76.9634  142.549      57.1874    142.549      17.0305     142.549      
1 1 1 20 14 0  o 0 123    14.7  ?    ?   532.797  180          292.633    180          10.1673     4.40858e-14  
1 1 1 20 14 1  o 0 53.4   7     ?    ?   281.52   12.6344      182.488    12.6344      22.1635     12.6344      
1 1 1 20 14 2  o 0 23.8   5.9   ?    ?   192.901  -127.411     74.2743    -127.411     35.7467     52.5891      
1 1 1 20 14 3  o 0 95.7   9.7   ?    ?   439.05   -20.3437     242.507    -20.3437     8.14523     159.656      
1 1 1 20 14 4  o 0 125.2  12.3  ?    ?   401.695  -172.722     335.805    -172.722     106.375     -172.722     
1 1 1 20 14 5  o 0 167.8  14.3  ?    ?   579.351  136.701      337.955    136.701      7.06345     136.701      
1 1 1 20 14 6  o 0 20.3   6.9   ?    ?   345.29   15.8465      1.4129     -164.154     198.528     -164.154     
1 1 1 20 14 7  o 0 20.7   6.3   ?    ?   272.739  119.667      34.2796    119.667      121.276     -60.3333     
1 1 1 20 14 8  f 1 33.3   6.8   ?    ?   209.8    143.566      130.485    143.566      15.4907     143.566      
1 1 1 20 14 9  o 0 93.8   10.4  ?    ?   400.253  -77.9893     265.204    -77.9893     45.6337     -77.9893     
1 1 1 20 14 10 o 0 9.8    6.9   ?    ?   204.981  4.85135      13.0353    -175.149     125.246     -175.149     
1 1 1 20 14 11 f 1 -2     6.5   ?    ?   63.0926  -36.1017     19.7811    143.898      54.1447     143.898      
1 1 1 20 14 12 o 0 84.5   9.2   ?    ?   432.837  -11.4934     227.583    -11.4934     4.82611     168.507      
1 1 1 20 14 13 o 0 591.7  49.4  ?    ?   836.421  105.053      787.766    105.053      340.105     105.053      
1 1 1 20 14 14 o 0 41.5   7.7   ?    ?   211.562  -81.1263     171.645    -81.1264     58.8219     -81.1264     
1 1 1 20 14 15 f 1 9.3    7.2   ?    ?   117.483  130.967      12.2009    130.967      52.9158     -49.0333     
1 1 1 20 14 16 o 0 16.4   7.3   ?    ?   181.097  -129.363     58.1092    -129.363     66.2362     50.637       
1 1 1 20 14 17 o 0 110.4  13.1  ?    ?   399.058  -25.1749     367.498    -25.1749     94.7929     -25.1749     
1 1 1 20 14 18 o 0 81.4   17.7  ?    ?   338.44   143.194      294.963    143.194      60.2374     143.194      
1 1 1 20 14 19 o 0 -20.1  10.7  ?    ?   117.477  137.727      38.7324    -42.2726     119.758     -42.2726     
1 1 1 20 14 20 o 0 23.3   8.2   ?    ?   145.551  -126.555     131.339    -126.555     31.3279     -126.555     
1 1 1 20 14 21 o 0 2.3    8     ?    ?   99.7124  -85.9745     6.2329     -85.9745     60.3648     94.0255      
1 1 1 20 14 22 o 0 131    13.4  ?    ?   420.145  31.9068      406.74     31.9068      128.039     31.9068      
1 1 1 20 14 23 f 1 9.9    7.4   ?    ?   100.422  148.323      47.1638    148.323      16.9755     -31.6773     
1 1 1 20 14 24 o 0 41.3   9.6   ?    ?   139.573  -169.563     251.458    -169.563     163.778     -169.563     
1 1 1 20 14 25 o 0 35.6   9.1   ?    ?   184.891  116.213      201.912    116.213      86.7181     116.213      
1 1 1 20 14 26 f 1 17.9   7.6   ?    ?   274.555  86.5397      54.6377    86.5397      104.977     -93.4603     
1 1 1 20 14 27 o 0 22.2   8.3   ?    ?   246.314  68.6655      109.253    68.6655      19.9349     -111.334     
1 1 1 20 15 0  o 0 145.6  19.1  ?    ?   502.927  -180         313.701    180          30.9198     180          
1 1 1 20 15 1  o 0 13.5   6.5   ?    ?   337.019  100.47       43.6107    -79.5304     233.539     -79.5304     
1 1 1 20 15 2  o 0 -1.2   6.3   ?    ?   3.71691  97.8126      1.27435    -82.1874     3.37261     -82.1874     
1 1 1 20 15 3  f 1 2.7    6.2   ?    ?   71.9698  -71.2471     19.4641    108.753      60.0352     108.753      
1 1 1 20 15 4  f 1 7.7    6.6   ?    ?   265.28   21.8896      45.0465    -158.11      189.418     -158.11      
1 1 1 20 15 5  o 0 96.8   10.2  ?    ?   309.14   110.454      313.216    110.454      144.512     110.454      
1 1 1 20 15 6  o 0 18.4   7.1   ?    ?   298.144  85.7938      15.2573    85.7938      147.398     -94.2062     
1 1 1 20 15 7  f 1 32.1   7.2   ?    ?   132.746  97.0803      124.887    97.0803      52.7057     97.0803      
1 1 1 20 15 8  o 0 24     6.9   ?    ?   225.329  -77.1097     77.028     -77.1097     45.67       102.89       
1 1 1 20 15 9  o 0 144    12.5  ?    ?   346.773  -21.9728     408.279    -21.9728     219.747     -21.9728     
1 1 1 20 15 10 o 0 9.7    6.9   ?    ?   173.318  37.2925      1.00651    37.2925      91.7321     -142.707     
1 1 1 20 15 11 o 0 -5.3   6.8   ?    ?   134.419  163.944      43.5277    -16.0555     115.283     -16.0555     
1 1 1 20 15 12 f 1 202.8  16.1  ?    ?   487.087  35.252       461.444    35.252       202.806     35.252       
1 1 1 20 15 13 o 0 150.2  12.6  ?    ?   406.493  -104.602     395.746    -104.602     180.021     -104.602     
1 1 1 20 15 14 o 0 -2.7   6.3   ?    ?   109.741  -51.3576     31.9551    128.642      92.6704     128.642      
1 1 1 20 15 15 o 0 1.1    7.1   ?    ?   29.9017  63.0693      5.60139    -116.931     26.0524     -116.931     
1 1 1 20 15 16 o 0 -6.2   8.8   ?    ?   32.0803  -42.0765     6.34705    137.924      28.6341     137.924      
1 1 1 20 15 17 o 0 18.4   11.3  ?    ?   27.6782  115.049      35.2021    115.049      16.0629     115.049      
1 1 1 20 15 18 o 0 14.8   8.5   ?    ?   36.3161  76.2975      37.2065    76.2975      12.1665     76.2975      
1 1 1 20 15 19 o 0 6.3    8.1   ?    ?   165.818  31.4839      4.35565    31.4839      109.351     -148.516     
1 1 1 20 15 20 o 0 -2.9   7.7   ?    ?   31.7494  168.103      2.69176    -11.8971     23.8645     -11.8971     
1 1 1 20 15 21 o 0 44.9   8.8   ?    ?   193.775  103.518      243.8      103.518      115.394     103.518      
1 1 1 20 15 22 o 0 33.7   9.1   ?    ?   215.236  119.744      177.445    119.744      39.6931     119.744      
1 1 1 20 15 23 f 1 26.6   7.9   ?    ?   258.798  -23.5342     120.482    -23.5342     41.6727     156.466      
1 1 1 20 15 24 o 0 10.7   7.6   ?    ?   123.539  36.2244      57.383     36.2244      19.6247     -143.776     
1 1 1 20 15 25 o 0 27.2   8.7   ?    ?   218.199  52.9158      140.825    52.9158      13.5142     52.9158      
1 1 1 20 15 26 o 0 13.3   7.6   ?    ?   207.437  22.249       68.1265    22.249       40.8445     -157.751     
1 1 1 20 16 0  o 0 -8.4   8.8   ?    ?   9.15105  -2.86712e-13 0.487247   0            4.42168     180          
1 1 1 20 16 1  o 0 13.3   6.4   ?    ?   157.322  24.2686      17.3084    24.2686      67.2953     -155.731     
1 1 1 20 16 2  o 0 2.1    5.9   ?    ?   114.599  -162.794     29.5712    17.2057      91.3184     17.2057      
1 1 1 20 16 3  o 0 16.5   7     ?    ?   196.673  -8.55447     32.224     -8.55447     73.8918     171.446      
1 1 1 20 16 4  o 0 315.4  28.1  ?    ?   709.109  50.6074      518.958    50.6074      136.024     50.6074      
1 1 1 20 16 5  o 0 0.8    8.5   ?    ?   23.7064  -160.07      4.25648    19.93        17.0632     19.93        
1 1 1 20 16 6  f 1 -2     6.9   ?    ?   139.306  -159.568     42.5403    20.4324      117.596     20.4324      
1 1 1 20 16 7  o 0 15.2   6.4   ?    ?   151.078  -157.69      38.8224    -157.69      41.6085     22.3099      
1 1 1 20 16 8  o 0 259.5  21.3  ?    ?   703.222  -86.411      446.616    -86.411      72.6042     -86.411      
1 1 1 20 16 9  o 0 27.9   7.1   ?    ?   138.392  -166.695     115.152    -166.695     41.6511     -166.695     
1 1 1 20 16 10 o 0 -0.8   6.7   ?    ?   52.8177  -29.4578     12.909     150.542      40.9097     150.542      
1 1 1 20 16 11 o 0 21.6   7.9   ?    ?   204.66   -12.105      73.4718    -12.105      39.7848     167.895      
1 1 1 20 16 12 o 0 127.1  11.4  ?    ?   496.443  138.533      290.371    138.533      16.3632     138.533      
1 1 1 20 16 13 o 0 43.4   7.2   ?    ?   316.401  -36.7503     169.719    -36.7503     46.3558     143.25       
1 1 1 20 16 14 o 0 24.7   9.1   ?    ?   183.252  -114.239     124.859    -114.239     2.37103     65.761       
1 1 1 20 16 15 o 0 15.6   7.3   ?    ?   97.0774  56.3732      70.7927    56.3732      3.64796     56.3732      
1 1 1 20 16 16 o 0 34.6   8.7   ?    ?   116.392  -57.0542     203.974    -57.0542     123.807     -57.0542     
1 1 1 20 16 17 o 0 14.6   8     ?    ?   137.526  -130.533     68.1027    -130.533     26.3938     49.467       
1 1 1 20 16 18 f 1 30.1   10.2  ?    ?   223.96   -34.0773     137.131    -34.0773     15.593      145.923      
1 1 1 20 16 19 o 0 4.1    7.3   ?    ?   60.3253  -137.713     10.3447    -137.713     29.7839     42.2867      
1 1 1 20 16 20 o 0 78.3   10.4  ?    ?   288.256  0.413448     325.554    0.413448     134.924     0.413448     
1 1 1 20 16 21 o 0 5.9    7.8   ?    ?   141.666  124.511      19.0977    124.511      71.4313     -55.489      
1 1 1 20 16 22 o 0 109    12.7  ?    ?   467.259  -140.777     319.977    -140.777     26.7496     -140.777     
1 1 1 20 16 23 o 0 11.5   7.7   ?    ?   119.06   -55.1278     62.896     -55.1278     11.283      124.872      
1 1 1 20 16 24 o 0 -4.2   8.4   ?    ?   46.3908  60.435       6.84831    60.435       20.2199     -119.565     
1 1 1 20 16 25 o 0 13.4   7.9   ?    ?   45.9205  -85.322      80.9464    -85.322      56.8096     -85.322      
1 1 1 20 17 0  o 0 18.2   9.4   ?    ?   118.746  180          48.3255    180          13.7607     2.43722e-14  
1 1 1 20 17 1  o 0 84.7   9.1   ?    ?   412.732  -4.85769     232.373    -4.85769     15.9887     -4.85769     
1 1 1 20 17 2  o 0 13.9   6.4   ?    ?   122.723  -106.105     30.338     -106.105     34.1404     73.8946      
1 1 1 20 17 3  o 0 58.7   8.5   ?    ?   319.868  -65.5165     194.509    -65.5165     26.182      -65.5165     
1 1 1 20 17 4  o 0 138.2  14.7  ?    ?   523.379  -10.165      309.581    -10.165      33.8612     -10.165      
1 1 1 20 17 5  o 0 68.4   10.6  ?    ?   329.105  178.93       221.043    178.93       47.5683     178.93       
1 1 1 20 17 6  o 0 2.4    9.3   ?    ?   79.7663  -100.843     5.80248    79.1565      47.8519     79.1565      
1 1 1 20 17 7  f 1 13.4   6.5   ?    ?   164.445  22.9025      24.8612    22.9025      61.5726     -157.097     
1 1 1 20 17 8  o 0 58.5   7.8   ?    ?   408.763  154.025      148.033    154.025      77.1332     -25.9753     
1 1 1 20 17 9  o 0 137.7  13.1  ?    ?   574.079  170.639      271.697    170.639      44.1398     -9.36084     
1 1 1 20 17 10 o 0 42.4   7.4   ?    ?   243.607  42.3965      203.194    42.3965      37.1462     42.3965      
1 1 1 20 17 11 o 0 0      10    ?    ?   27.0723  -151.318     1.43169    28.6822      19.8465     28.6822      
1 1 1 20 17 12 o 0 5      8.7   ?    ?   203.204  170.651      17.1031    -9.34889     157.755     -9.34889     
1 1 1 20 17 13 o 0 31     7.8   ?    ?   405.632  7.70953      46.9999    7.70953      232.956     -172.29      
1 1 1 20 17 14 o 0 14.8   7.4   ?    ?   259.927  -41.7753     17.7107    -41.7753     161.093     138.225      
1 1 1 20 17 15 o 0 14.7   7.4   ?    ?   155.77   174.517      65.2963    174.517      41.6974     -5.48343     
1 1 1 20 17 16 o 0 4.8    7.8   ?    ?   90.4901  -1.61548     9.98912    -1.61548     51.9109     178.385      
1 1 1 20 17 17 o 0 135.8  15.1  ?    ?   407.629  -163.526     425.52     -163.526     153.971     -163.526     
1 1 1 20 17 18 o 0 94.7   11.9  ?    ?   361.511  135.158      336.889    135.158      97.249      135.158      
1 1 1 20 17 19 o 0 32     7.9   ?    ?   171.405  -92.4004     191.475    -92.4004     81.5804     -92.4004     
1 1 1 20 17 20 o 0 22.7   7.7   ?    ?   151.495  108.762      134.973    108.762      38.4046     108.762      
1 1 1 20 17 21 o 0 14.1   8     ?    ?   157.391  -160.537     74.4544    -160.537     24.1183     19.4626      
1 1 1 20 17 22 o 0 156.2  14.7  ?    ?   513.942  -85.7092     429.207    -85.7092     127.468     -85.7092     
1 1 1 20 17 23 o 0 15.7   7.6   ?    ?   149.747  94.4834      94.7397    94.4834      7.45039     94.4834      
1 1 1 20 17 24 o 0 9.5    7.6   ?    ?   160.506  -75.3771     61.7156    -75.3771     22.612      104.623      
1 1 1 20 18 0  o 0 10.3   9.3   ?    ?   260.675  -3.36367e-14 47.2499    0            87.3909     180          
1 1 1 20 18 1  f 1 25.1   6.8   ?    ?   412.958  178.866      14.5413    178.866      198.834     -1.13366     
1 1 1 20 18 2  o 0 2.4    6.3   ?    ?   114.498  99.2737      19.6132    -80.7263     81.8128     -80.7263     
1 1 1 20 18 3  o 0 24.8   8.8   ?    ?   74.8065  135.957      80.0844    135.957      39.3726     135.957      
1 1 1 20 18 4  o 0 373.1  42.4  ?    ?   900.038  -126.735     452.624    -126.735     37.834      53.2649      
1 1 1 20 18 5  o 0 16.4   8.1   ?    ?   161.458  99.1883      49.292     99.1883      38.7603     -80.8117     
1 1 1 20 18 6  o 0 12.5   7.9   ?    ?   90.5655  83.9828      33.6904    83.9828      27.622      -96.0172     
1 1 1 20 18 7  o 0 -1.1   6.6   ?    ?   49.7446  -158.431     14.2218    21.5693      47.8926     21.5693      
1 1 1 20 18 8  o 0 21.2   6.9   ?    ?   142.711  103.676      101.699    103.676      5.16306     103.676      
1 1 1 20 18 9  o 0 210    19.2  ?    ?   403.9    7.86826      607.147    7.86826      328.735     7.86826      
1 1 1 20 18 10 o 0 52.2   10.8  ?    ?   162.749  83.9579      282.889    83.9579      170.874     83.9579      
1 1 1 20 18 11 o 0 5.9    6.8   ?    ?   52.4164  7.70459      6.45392    7.70459      29.5527     -172.295     
1 1 1 20 18 12 o 0 1      7.5   ?    ?   40.6558  29.6184      3.00763    -150.382     30.8698     -150.382     
1 1 1 20 18 13 o 0 115.7  12    ?    ?   257.294  45.8472      463.124    45.8472      286.898     45.8472      
1 1 1 20 18 14 o 0 33.1   8     ?    ?   247.086  -27.6345     153.42     -27.6345     15.2764     152.365      
1 1 1 20 18 15 o 0 14.8   7.5   ?    ?   114.231  -125.275     79.5341    -125.275     3.51346     -125.275     
1 1 1 20 18 16 o 0 31.7   8.8   ?    ?   49.3375  33.6497      150.118    33.6497      117.415     33.6497      
1 1 1 20 18 17 o 0 11.9   8     ?    ?   119.207  68.3011      55.6635    68.3011      23.0011     -111.699     
1 1 1 20 18 18 f 1 17.5   7.9   ?    ?   253.855  40.5927      51.588     40.5927      110.099     -139.407     
1 1 1 20 18 19 o 0 4.8    7.2   ?    ?   73.12    -44.8394     23.4572    -44.8394     22.4624     135.161      
1 1 1 20 18 20 o 0 2.5    8.7   ?    ?   110.836  176.727      19.9574    176.727      49.2493     -3.27342     
1 1 1 20 18 21 f 1 -5     8.7   ?    ?   159.357  91.4468      8.29984    -88.5532     101.385     -88.5532     
1 1 1 20 18 22 o 0 15.3   7.6   ?    ?   120.538  98.6438      98.8109    98.6438      28.6879     98.6438      
1 1 1 20 18 23 o 0 20     8.6   ?    ?   65.8849  158.912      138.261    158.912      103.697     158.912      
1 1 1 20 19 0  o 0 41     9.7   ?    ?   304.504  -4.97082e-14 191.652    0            9.96098     180          
1 1 1 20 19 1  f 1 -10.5  7.6   ?    ?   41.4985  6.55984      16.4546    -173.44      43.9475     -173.44      
1 1 1 20 19 2  o 0 -6.3   7.6   ?    ?   68.7054  -126.5       23.4234    53.4997      69.1771     53.4997      
1 1 1 20 19 3  o 0 64.7   9.3   ?    ?   252.374  130.895      289.753    130.895      121.343     130.895      
1 1 1 20 19 4  o 0 6.9    7.1   ?    ?   44.9643  -172.158     9.50504    -172.158     21.1496     7.84173      
1 1 1 20 19 5  o 0 7.8    7.7   ?    ?   82.4362  78.0904      19.2069    78.0904      37.0501     -101.91      
1 1 1 20 19 6  o 0 0.9    6.7   ?    ?   21.6405  139.657      2.70875    -40.3435     17.4842     -40.3435     
1 1 1 20 19 7  o 0 38.2   8.9   ?    ?   262.751  147.453      169.871    147.453      9.52867     -32.5472     
1 1 1 20 19 8  o 0 81.8   11.6  ?    ?   248.754  -106.581     357.014    -106.581     187.249     -106.581     
1 1 1 20 19 9  o 0 57.9   9.5   ?    ?   257.939  -149.368     262.71     -149.368     86.8374     -149.368     
1 1 1 20 19 10 o 0 1.8    6.8   ?    ?   94.1901  129.65       8.03236    -50.3504     72.3089     -50.3504     
1 1 1 20 19 11 o 0 5.7    7.8   ?    ?   55.2926  28.6343      11.9828    28.6343      25.682      -151.366     
1 1 1 20 19 12 o 0 22.6   7.9   ?    ?   179.951  23.4482      115.05     23.4482      7.25862     -156.552     
1 1 1 20 19 13 o 0 124.4  13.7  ?    ?   477.787  -35.1061     350.58     -35.1061     33.7374     -35.1061     
1 1 1 20 19 14 o 0 32.1   7.4   ?    ?   225.338  -145.722     165.276    -145.722     16.3027     -145.722     
1 1 1 20 19 15 o 0 17.9   8     ?    ?   130.492  3.38034      98.3066    3.38034      12.3381     3.38034      
1 1 1 20 19 16 o 0 3.7    7.2   ?    ?   89.0093  2.13848      12.0853    2.13848      44.7123     -177.862     
1 1 1 20 19 17 o 0 63.5   10.4  ?    ?   415.019  -54.6218     197.446    -54.6218     66.2296     125.378      
1 1 1 20 19 18 o 0 39.6   9     ?    ?   241.11   -116.393     197.726    -116.393     46.9993     -116.393     
1 1 1 20 19 19 o 0 21.4   7.6   ?    ?   266.512  109.362      74.3409    109.362      91.3963     -70.6375     
1 1 1 20 19 20 o 0 8.1    7.1   ?    ?   12.4287  -175.115     11.0455    -175.115     3.79262     -175.115     
1 1 1 20 19 21 o 0 13.6   7.2   ?    ?   160.128  62.4776      90.878     62.4776      6.5281      62.4776      
1 1 1 20 19 22 o 0 62.6   8.9   ?    ?   295.824  29.9549      290.534    29.9549      135.73      29.9549      
1 1 1 20 20 0  o 0 34.2   9.3   ?    ?   53.1419  -180         89.5563    180          54.1368     180          
1 1 1 20 20 1  o 0 0.1    7     ?    ?   111.78   -143.052     20.2268    36.9476      94.9836     36.9476      
1 1 1 20 20 2  o 0 -0.7   8.5   ?    ?   82.6518  86.642       7.60092    -93.358      63.0337     -93.358      
1 1 1 20 20 3  f 1 11.8   7     ?    ?   59.9794  -169.585     32.5949    -169.585     7.6196      10.4146      
1 1 1 20 20 4  o 0 203    24.7  ?    ?   584.588  46.5608      448.716    46.5608      55.0782     46.5608      
1 1 1 20 20 5  f 1 297    31.5  ?    ?   460.442  -60.7827     704.589    -60.7827     394.291     -60.7827     
1 1 1 20 20 6  o 0 28.4   6.9   ?    ?   168.445  -144.398     164.079    -144.398     50.1902     -144.398     
1 1 1 20 20 7  o 0 1.6    6.3   ?    ?   62.0785  -125.062     6.09646    54.9382      48.0774     54.9382      
1 1 1 20 20 8  o 0 -1.2   6.5   ?    ?   123.662  121.79       28.7546    -58.2097     112.359     -58.2097     
1 1 1 20 20 9  o 0 95.7   11.7  ?    ?   348.56   64.3445      341.445    64.3445      105.968     64.3445      
1 1 1 20 20 10 o 0 25.5   7.5   ?    ?   310.992  -97.1341     76.9779    -97.1341     128.307     82.8659      
1 1 1 20 20 11 o 0 18.4   7.3   ?    ?   14.637   -165.101     25.3497    -165.101     15.7037     -165.101     
1 1 1 20 20 12 o 0 46.8   8.2   ?    ?   266.191  35.405       214.702    35.405       39.6437     35.405       
1 1 1 20 20 13 o 0 185.4  17.4  ?    ?   563.829  121.051      447.887    121.051      88.2324     121.051      
1 1 1 20 20 14 o 0 37.8   7.9   ?    ?   249.547  -155.1       184.511    -155.1       25.8004     -155.1       
1 1 1 20 20 15 o 0 2.4    9.8   ?    ?   82.1015  -130.898     19.6564    -130.898     32.3828     49.1018      
1 1 1 20 20 16 o 0 46.9   16.1  ?    ?   262.975  -153.735     183.257    -153.735     19.0898     -153.735     
1 1 1 20 20 17 o 0 45     11.9  ?    ?   303.726  -132.078     174.503    -132.078     14.2952     47.9218      
1 1 1 20 20 18 o 0 31.6   9.2   ?    ?   224.008  84.0748      168.039    84.0748      37.2459     84.0748      
1 1 1 20 20 19 o 0 -0.4   8.5   ?    ?   84.0069  58.0851      17.8184    58.0851      30.9785     -121.915     
1 1 1 20 20 20 o 0 6      8.5   ?    ?   138.532  -4.7416      51.6317    -4.7416      21.0433     175.258      
1 1 1 20 21 0  o 0 197.4  27.6  ?    ?   291.505  0            412.65     0            220.615     0            
1 1 1 20 21 1  o 0 1.7    6.2   ?    ?   63.4077  -158.307     6.3213     21.6932      48.245      21.6932      
1 1 1 20 21 2  o 0 12.2   7.8   ?    ?   100.921  58.9947      50.1807    58.9947      16.7506     -121.005     
1 1 1 20 21 3  o 0 24.4   11.2  ?    ?   161.018  -93.0133     120.862    -93.0133     13.808      -93.0133     
1 1 1 20 21 4  o 0 56.2   9.5   ?    ?   278.709  -168.14      238.655    -168.14      52.993      -168.14      
1 1 1 20 21 5  o 0 70.9   10.2  ?    ?   339.46   31.5839      266.358    31.5839      44.8295     31.5839      
1 1 1 20 21 6  o 0 1.4    6     ?    ?   195.401  -50.4776     41.9078    129.522      169.539     129.522      
1 1 1 20 21 7  o 0 10.5   6.5   ?    ?   112.694  -45.2772     45.543     -45.2772     28.0954     134.723      
1 1 1 20 21 8  o 0 14.6   6.2   ?    ?   18.396   -15.6685     22.8037    -15.6685     10.7841     -15.6685     
1 1 1 20 21 9  o 0 0.3    6     ?    ?   108.93   124.596      16.8632    -55.4038     87.9953     -55.4038     
1 1 1 20 21 10 o 0 7.6    6.6   ?    ?   184.705  47.9516      10.4909    47.9516      106.673     -132.048     
1 1 1 20 21 11 o 0 7.9    7.1   ?    ?   52.2093  -135.169     25.166     -135.169     7.90268     44.8314      
1 1 1 20 21 12 o 0 46.8   8.2   ?    ?   242.816  -14.0973     229.566    -14.0973     76.0687     -14.0973     
1 1 1 20 21 13 o 0 19.1   7.4   ?    ?   78.0009  -26.7958     117.112    -26.7958     68.4775     -26.7958     
1 1 1 20 21 14 o 0 18.1   15.3  ?    ?   129.203  171.445      104.277    171.445      23.9467     171.445      
1 1 1 20 21 15 o 0 -2.6   9.6   ?    ?   44.3025  91.7298      8.19525    91.7298      19.259      -88.2702     
1 1 1 20 21 16 o 0 9.7    9.9   ?    ?   121.115  -41.8427     64.8842    -41.8427     5.68424     138.157      
1 1 1 20 21 17 o 0 94.3   16    ?    ?   417.19   43.0711      292.827    43.0711      50.7628     43.0711      
1 1 1 20 21 18 o 0 40.7   9.9   ?    ?   302.407  120.691      186.176    120.691      27.55       120.691      
1 1 1 20 22 0  o 0 15.8   11.4  ?    ?   107.517  180          60.505     180          7.79013     -8.24719e-13 
1 1 1 20 22 1  o 0 149.2  14.4  ?    ?   465.291  163.152      408.619    163.152      111.916     163.152      
1 1 1 20 22 2  o 0 32.1   7.7   ?    ?   150.1    63.8889      190.219    63.8889      94.1896     63.8889      
1 1 1 20 22 3  o 0 76.7   10.2  ?    ?   361.599  170.524      268.621    170.524      36.651      170.524      
1 1 1 20 22 4  o 0 6.7    7.1   ?    ?   138.523  -23.2964     15.6029    -23.2964     73.4536     156.704      
1 1 1 20 22 5  o 0 26.8   7.8   ?    ?   246.556  15.4421      122.445    15.4421      31.9426     -164.558     
1 1 1 20 22 6  o 0 4.1    7.5   ?    ?   163.457  -96.0534     0.62163    -96.0534     101.844     83.9466      
1 1 1 20 22 7  o 0 3      7.1   ?    ?   53.609   84.4483      8.09893    84.4483      25.5266     -95.5517     
1 1 1 20 22 8  o 0 11.3   6.4   ?    ?   127.519  -86.4402     54.4148    -86.4402     25.5776     93.5598      
1 1 1 20 22 9  o 0 24     7.4   ?    ?   236.923  21.623       106.245    21.623       42.3189     -158.377     
1 1 1 20 22 10 o 0 5.8    7.1   ?    ?   38.616   88.6433      17.9036    88.6433      6.01587     -91.3567     
1 1 1 20 22 11 o 0 20.5   7.9   ?    ?   171.284  27.5429      114.942    27.5429      8.9867      27.5429      
1 1 1 20 22 12 o 0 4.1    7.6   ?    ?   30.2199  129.893      11.1987    129.893      7.46153     -50.107      
1 1 1 20 22 13 o 0 130.5  15.3  ?    ?   472.112  -100.095     379.868    -100.095     105.369     -100.095     
1 1 1 20 22 14 o 0 75.7   12    ?    ?   291.944  -102.957     314.932    -102.957     145.649     -102.957     
1 1 1 20 22 15 o 0 14.6   9.7   ?    ?   119.718  83.8002      106.184    83.8002      43.3351     83.8002      
1 1 1 20 22 16 o 0 47.3   11.6  ?    ?   325.163  -87.5904     196.753    -87.5904     26.6698     -87.5904     
1 1 1 20 23 0  o 0 53.4   10.8  ?    ?   253.382  -5.6048e-14  207.468    0            53.3001     1.62116e-13  
1 1 1 20 23 1  o 0 54.7   8.1   ?    ?   299.904  -3.14729     225.618    -3.14729     42.3922     -3.14729     
1 1 1 20 23 2  o 0 -1.8   6.9   ?    ?   128.705  -148.021     18.493     31.9794      97.4017     31.9794      
1 1 1 20 23 3  o 0 92.7   11.3  ?    ?   386.493  9.04373      306.694    9.04373      69.0368     9.04373      
1 1 1 20 23 4  o 0 67.5   10    ?    ?   389.357  61.8391      226.899    61.8391      10.3738     -118.161     
1 1 1 20 23 5  o 0 87.9   9.7   ?    ?   216.083  -143.812     393.481    -143.812     261.559     -143.812     
1 1 1 20 23 6  o 0 0.9    7.6   ?    ?   78.5758  -123.711     9.96835    -123.711     38.0665     56.2893      
1 1 1 20 23 7  o 0 1.6    6.4   ?    ?   107.21   71.4536      2.31002    71.4536      63.2812     -108.546     
1 1 1 20 23 8  o 0 86     11.2  ?    ?   427.81   -100.948     265.706    -100.948     3.89528     -100.948     
1 1 1 20 23 9  o 0 136.2  15.1  ?    ?   393.191  140.527      436.693    140.527      209.655     140.527      
1 1 1 20 23 10 o 0 29.6   8.9   ?    ?   196.043  -18.2746     165.051    -18.2746     51.9301     -18.2746     
1 1 1 20 23 11 o 0 8.9    7.1   ?    ?   46.0839  -108.819     39.2527    -108.819     12.6925     -108.819     
1 1 1 20 23 12 o 0 40.6   9.5   ?    ?   297.388  7.35222      173.047    7.35222      1.93128     7.35222      
1 1 1 20 23 14 f 1 37.6   10.9  ?    ?   353.82   -172.381     133.737    -172.381     49.8258     7.61933      
1 1 1 20 24 0  o 0 37.7   10.4  ?    ?   403.732  -2.10409e-14 165.678    0            59.9588     180          
1 1 1 20 24 1  o 0 3.7    7.2   ?    ?   65.4457  -24.9853     24.7957    -24.9853     11.9397     155.015      
1 1 1 20 24 2  f 1 10.4   8.6   ?    ?   211.272  -138.781     35.4937    -138.781     83.2349     41.2191      
1 1 1 20 24 3  o 0 5.4    7.2   ?    ?   86.2365  -33.6401     35.3894    -33.6401     13.3521     146.36       
1 1 1 20 24 4  o 0 52.5   10.4  ?    ?   388.8    -96.9396     176.009    -96.9396     44.317      83.0604      
1 1 1 20 24 5  o 0 23.4   7.3   ?    ?   249.438  163.751      106.279    163.751      35.3633     -16.2493     
1 1 1 20 24 6  o 0 11.4   7     ?    ?   210.41   93.4491      38.9846    93.4491      80.6773     -86.5509     
1 1 1 20 24 7  o 0 2.8    6.4   ?    ?   139.393  151.892      9.53222    151.892      69.8202     -28.1081     
1 1 1 20 24 8  f 1 14.7   6.2   ?    ?   266.335  145.783      39.0431    145.783      112.256     -34.2174     
1 1 1 20 24 9  o 0 18.6   7.3   ?    ?   231.562  -98.7833     95.4627    -98.7833     24.3162     81.2167      
1 1 1 20 24 10 o 0 -2.6   7     ?    ?   177.307  3.24487      5.9754     -176.755     97.6423     -176.755     
1 1 1 20 24 11 o 0 14.8   10.6  ?    ?   147.832  -129.623     95.5239    -129.623     19.1732     -129.623     
1 1 1 20 25 0  o 0 -7.3   8.3   ?    ?   46.1741  -180         8.46093    180          14.5977     3.16577e-13  
1 1 1 20 25 1  o 0 3.1    7.1   ?    ?   34.2999  18.4982      22.7635    18.4982      5.5561      18.4982      
1 1 1 20 25 2  o 0 0.7    7.2   ?    ?   47.3063  152.346      22.1602    152.346      1.66683     -27.6545     
1 1 1 20 25 3  o 0 2      7.7   ?    ?   222.848  177.135      1.98711    -2.86534     114.612     -2.86534     
1 1 1 20 25 4  o 0 6.3    7     ?    ?   139.96   -102.204     45.6625    -102.204     25.2716     77.796       
1 1 1 20 25 5  o 0 27.1   6.5   ?    ?   227.679  99.9365      158.358    99.9365      42.7035     99.9365      
1 1 1 20 25 6  o 0 -6.6   6.5   ?    ?   114.895  49.9758      3.22528    -130.024     61.6892     -130.024     
1 1 1 21 0  1  o 0 15     7.6   ?    ?   381.349  -90          69.9698    -90          166.814     90           
1 1 1 21 0  2  o 0 20     7.9   ?    ?   305.113  9.56891e-15  84.2606    0            105.368     -180         
1 1 1 21 0  3  o 0 819.1  75.7  ?    ?   627.458  90           772.453    90           382.36      90           
1 1 1 21 0  4  o 0 107    12.5  ?    ?   357.189  5.51706e-15  278.926    0            56.9194     -2.15186e-14 
1 1 1 21 0  5  o 0 298.7  28.9  ?    ?   403.426  90           497.74     90           231.363     90           
1 1 1 21 0  6  o 0 66.4   11    ?    ?   248.926  180          215.033    180          50.8895     180          
1 1 1 21 0  7  o 0 27.9   10.3  ?    ?   69.0549  90           36.9301    90           8.52268     -90          
1 1 1 21 0  8  o 0 10.4   8.7   ?    ?   25.3355  -180         4.49435    180          12.3159     8.2019e-14   
1 1 1 21 0  9  o 0 64.5   10.8  ?    ?   250.164  90           214.965    90           49.4267     90           
1 1 1 21 0  10 o 0 344.6  33.9  ?    ?   712.205  180          528.048    180          58.228      180          
1 1 1 21 0  11 o 0 239.5  25.2  ?    ?   474.501  -90          438.803    -90          126.882     -90          
1 1 1 21 0  12 o 0 47.7   10.8  ?    ?   90.2181  180          104.916    180          47.0279     -180         
1 1 1 21 0  13 o 0 -4.9   9.5   ?    ?   245.231  90           15.4133    90           141.269     -90          
1 1 1 21 0  14 o 0 -14.2  11    ?    ?   38.5246  -1.11136e-15 1.99698    0            22.5034     180          
1 1 1 21 0  15 o 0 5.6    10.1  ?    ?   334.799  90           38.9144    90           172.944     -90          
1 1 1 21 0  16 o 0 209.3  23.8  ?    ?   528.756  -5.89606e-15 399.534    0            84.5139     2.19772e-14  
1 1 1 21 0  17 o 0 98.5   15.3  ?    ?   598.15   -90          271.247    -90          83.0673     90           
1 1 1 21 0  18 o 0 35.1   17.7  ?    ?   306.447  -6.48697e-15 129.964    0            44.0889     180          
1 1 1 21 0  19 o 0 262.6  33    ?    ?   761.63   -90          435.843    -90          6.09148     -90          
1 1 1 21 0  20 o 0 126.1  24.6  ?    ?   599.858  180          295.879    180          35.5738     -2.537e-14   
1 1 1 21 0  21 o 0 336.6  41.8  ?    ?   834.553  90           483.353    90           25.6262     90           
1 1 1 21 0  22 o 0 13.5   11.7  ?    ?   126.581  -1.31771e-14 41.3295    0            30.7334     180          
1 1 1 21 0  23 o 0 148.4  19.4  ?    ?   421.214  90           394.345    90           99.2167     90           
1 1 1 21 0  24 o 0 198.1  25.8  ?    ?   462.567  -7.09883e-15 449.194    0            121.464     1.91539e-14  
1 1 1 21 0  25 o 0 47.2   13    ?    ?   218.531  -90          208.311    -90          54.5739     -90          
1 1 1 21 0  26 o 0 -18.4  11.8  ?    ?   35.1595  180          4.04982    180          20.4442     -1.0759e-14  
1 1 1 21 0  27 o 0 2.2    12.3  ?    ?   19.1424  90           5.98649    90           6.9256      -90          
1 1 1 21 0  28 o 0 24.7   15.2  ?    ?   164.388  180          108.737    180          2.07447     180          
1 1 1 21 0  29 o 0 6.1    13.3  ?    ?   111.957  -90          44.1437    -90          26.8644     90           
1 1 1 21 0  30 f 1 -1.9   12.9  ?    ?   220.862  180          49.2222    180          81.0723     -4.23263e-15 
1 1 1 21 1  0  o 0 41.6   8.1   ?    ?   228.039  -90          141.454    -90          0.532116    -90          
1 1 1 21 1  1  o 0 458.7  35    ?    ?   782.987  -11.4614     650.952    -11.4614     166.334     -11.4614     
1 1 1 21 1  2  o 0 303.4  23.7  ?    ?   555.846  -90.3497     568.616    -90.3497     224.276     -90.3497     
1 1 1 21 1  3  o 0 114.7  10.2  ?    ?   615.695  170.999      172.107    170.999      209.412     -9.00067     
1 1 1 21 1  4  o 0 29.1   6.9   ?    ?   203.216  58.2017      65.2351    58.2017      60.6509     -121.798     
1 1 1 21 1  5  f 1 37.1   7     ?    ?   173.337  -100.657     110.701    -100.657     3.07406     79.3425      
1 1 1 21 1  6  o 0 712.4  49.8  ?    ?   1143.74  -120.245     759.64     -120.245     7.98271     -120.245     
1 1 1 21 1  7  o 0 188.5  14.7  ?    ?   529.627  -4.27771     406.889    -4.27771     59.4504     -4.27771     
1 1 1 21 1  8  o 0 32.1   6.4   ?    ?   189.395  72.7192      96.0848    72.7192      29.1608     -107.281     
1 1 1 21 1  9  o 0 34     7.1   ?    ?   395.526  -41.4627     27.9295    -41.4627     232.934     138.537      
1 1 1 21 1  10 o 0 144.6  13.5  ?    ?   574.579  31.2226      278.888    31.2226      98.9109     -148.777     
1 1 1 21 1  11 o 0 347.4  24.2  ?    ?   896.428  143.752      451.655    143.752      135.743     -36.2483     
1 1 1 21 1  12 o 0 8.6    6.6   ?    ?   75.2977  -159.285     11.3823    20.7146      59.5456     20.7146      
1 1 1 21 1  13 o 0 100.3  11.1  ?    ?   330.161  49.7781      309.245    49.7781      98.9419     49.7781      
1 1 1 21 1  14 f 1 21     7.4   ?    ?   385.638  -13.831      32.8609    166.169      276.759     166.169      
1 1 1 21 1  15 o 0 337.2  24    ?    ?   609.997  -91.524      613.277    -91.524      228.382     -91.524      
1 1 1 21 1  16 o 0 388.1  27.2  ?    ?   846.673  -137.352     570.03     -137.352     66.9947     -137.352     
1 1 1 21 1  17 f 1 -7     7.5   ?    ?   131.101  -132.969     52.1515    47.0311      129.404     47.0311      
1 1 1 21 1  18 o 0 92     13.5  ?    ?   425.725  -105.608     253.739    -105.608     12.5514     -105.608     
1 1 1 21 1  19 o 0 1.3    9.9   ?    ?   173.212  -113.711     29.8771    66.2892      127.377     66.2892      
1 1 1 21 1  20 o 0 263.2  25.5  ?    ?   670.243  67.6155      482.411    67.6155      112.91      67.6155      
1 1 1 21 1  21 o 0 15.9   11.8  ?    ?   276.944  40.2351      15.3398    40.2351      136.23      -139.765     
1 1 1 21 1  22 o 0 24.3   8.4   ?    ?   277.586  4.85197      62.6057    4.85197      95.1077     -175.148     
1 1 1 21 1  23 o 0 4.3    8.3   ?    ?   205.142  -65.2672     33.6491    114.733      177.116     114.733      
1 1 1 21 1  24 o 0 21.7   8.8   ?    ?   139.555  -13.5861     118.195    -13.5861     19.49       -13.5861     
1 1 1 21 1  25 o 0 29.7   8.6   ?    ?   149.035  116.05       180.876    116.05       76.1942     116.05       
1 1 1 21 1  26 o 0 12.8   8.9   ?    ?   69.6516  32.9768      49.3704    32.9768      0.916715    32.9768      
1 1 1 21 1  27 o 0 21.7   8.8   ?    ?   162.891  -82.2601     119.548    -82.2601     9.81428     -82.2601     
1 1 1 21 1  28 o 0 50.8   11.9  ?    ?   205.822  178.148      261.966    178.148      128.571     178.148      
1 1 1 21 1  29 o 0 2.6    9.3   ?    ?   126.757  52.7411      21.8107    52.7411      58.5054     -127.259     
1 1 1 21 1  30 o 0 -6.1   9.6   ?    ?   52.4156  -5.67007     10.3478    -5.67007     20.6282     174.33       
1 1 1 21 1  31 o 0 7.2    11.1  ?    ?   169.122  67.3524      57.281     67.3524      32.3785     -112.648     
1 1 1 21 2  0  f 1 303.7  40.6  ?    ?   673.619  -90          464.885    -90          51.2831     -90          
1 1 1 21 2  1  o 0 392.7  30    ?    ?   860.518  154.541      517.265    154.541      13.251      -25.4593     
1 1 1 21 2  2  o 0 873.6  71.9  ?    ?   1155.86  -147.132     851.387    -147.132     138.18      -147.132     
1 1 1 21 2  3  f 1 63.5   10.1  ?    ?   106.466  141.253      174.894    141.253      109.353     141.253      
1 1 1 21 2  4  o 0 21.2   6.4   ?    ?   167.314  -114.908     28.398     -114.908     81.3588     65.0916      
1 1 1 21 2  5  f 1 180.3  15    ?    ?   560.91   -177.204     371.397    -177.204     4.69772     -177.204     
1 1 1 21 2  6  o 0 32.9   6.4   ?    ?   116.848  111.641      78.8262    111.641      2.34031     111.641      
1 1 1 21 2  7  o 0 173.1  15.1  ?    ?   366.736  -103.55      465.174    -103.55      223.071     -103.55      
1 1 1 21 2  8  o 0 -4     5.7   ?    ?   248.086  33.2021      130.787    -146.798     294.202     -146.798     
1 1 1 21 2  9  o 0 12.4   6.2   ?    ?   181.662  -174.477     24.5591    5.52251      143.908     5.52251      
1 1 1 21 2  10 o 0 9.7    6.6   ?    ?   254.177  -20.3587     66.129     159.641      232.62      159.641      
1 1 1 21 2  11 o 0 204.2  17.5  ?    ?   533.952  -87.4933     428.784    -87.4933     80.212      -87.4933     
1 1 1 21 2  12 o 0 38.8   7.9   ?    ?   443.696  102.326      34.4035    102.326      248.361     -77.6739     
1 1 1 21 2  13 o 0 64.7   8.6   ?    ?   339.077  -127.208     192.682    -127.208     22.5275     52.7916      
1 1 1 21 2  14 o 0 207.3  15.9  ?    ?   605.011  109.403      398.321    109.403      16.0285     109.403      
1 1 1 21 2  15 f 1 62.4   8.9   ?    ?   202.354  88.8656      249.496    88.8656      129.353     88.8656      
1 1 1 21 2  16 o 0 176.5  14.5  ?    ?   487.852  -86.0428     418.818    -86.0428     129.918     -86.0428     
1 1 1 21 2  17 o 0 38.1   9.5   ?    ?   282.456  154.582      121.923    154.582      44.4194     -25.4182     
1 1 1 21 2  18 o 0 5      9.6   ?    ?   151.958  131.5        13.9809    -48.4999     99.8085     -48.4999     
1 1 1 21 2  19 o 0 131.8  15.2  ?    ?   728.492  -150.822     194.519    -150.822     214.348     29.1778      
1 1 1 21 2  20 o 0 55.1   13.8  ?    ?   453.521  -73.3887     120.865    -73.3887     128.46      106.611      
1 1 1 21 2  21 o 0 158.4  18.8  ?    ?   512.859  -16.0763     366.173    -16.0763     86.2357     -16.0763     
1 1 1 21 2  22 o 0 30.1   9.1   ?    ?   266.961  -113.407     101.015    -113.407     50.2775     66.5932      
1 1 1 21 2  23 o 0 -3.4   8.6   ?    ?   82.1801  -5.4233      20.2933    174.577      77.6288     174.577      
1 1 1 21 2  24 o 0 149.4  15.1  ?    ?   474.178  -173.487     431.516    -173.487     96.8926     -173.487     
1 1 1 21 2  25 o 0 -0.2   8.3   ?    ?   137.551  169.087      16.6409    -10.9129     113.052     -10.9129     
1 1 1 21 2  26 o 0 22.7   8.8   ?    ?   165.349  -70.319      119.448    -70.319      4.64838     -70.319      
1 1 1 21 2  27 o 0 16.4   9     ?    ?   204.109  -98.2085     63.3621    -98.2085     73.8879     81.7915      
1 1 1 21 2  28 o 0 40.2   10.1  ?    ?   314.343  9.80699      157.062    9.80699      46.3253     -170.193     
1 1 1 21 2  29 o 0 21.7   9.4   ?    ?   108.178  66.9088      136.048    66.9088      67.6088     66.9088      
1 1 1 21 2  30 o 0 4.4    9.1   ?    ?   134.005  -58.4768     35.9459    -58.4768     43.1372     121.523      
1 1 1 21 2  31 o 0 1.3    13.3  ?    ?   170.85   -130.7       44.8695    -130.7       45.5942     49.3002      
1 1 1 21 3  0  o 0 101.5  22.6  ?    ?   327.604  90           260.827    90           60.0837     90           
1 1 1 21 3  1  o 0 778.5  64.3  ?    ?   959.753  176.431      878.076    176.431      289.106     176.431      
1 1 1 21 3  2  o 0 442.4  34    ?    ?   710.495  77.8717      667.431    77.8717      231.056     77.8717      
1 1 1 21 3  3  o 0 211.5  16    ?    ?   665.335  3.11387      370.242    3.11387      64.3347     -176.886     
1 1 1 21 3  4  o 0 121.5  10.5  ?    ?   293.271  -47.4389     374.836    -47.4389     183.338     -47.4389     
1 1 1 21 3  5  o 0 58.5   8.9   ?    ?   408.019  153.342      124.147    153.342      142.062     -26.6583     
1 1 1 21 3  6  o 0 146.4  13.4  ?    ?   420.443  82.0219      372.692    82.0219      98.7306     82.0219      
1 1 1 21 3  7  o 0 217.4  16.7  ?    ?   443.415  107.057      511.334    107.057      219.926     107.057      
1 1 1 21 3  8  o 0 18.4   6.5   ?    ?   215.965  75.7228      7.33816    75.7227      134.286     -104.277     
1 1 1 21 3  9  o 0 5.2    6.3   ?    ?   175.119  149.516      61.3975    -30.4841     175.944     -30.4841     
1 1 1 21 3  10 f 1 346.2  25.4  ?    ?   571.393  104.842      649.788    104.842      278.086     104.842      
1 1 1 21 3  11 o 0 769.6  54.2  ?    ?   1163.47  8.76929      780.269    8.76929      23.9518     8.76929      
1 1 1 21 3  12 o 0 166.5  13.9  ?    ?   551.347  -118.664     348.236    -118.664     1.67861     61.3356      
1 1 1 21 3  13 o 0 18.1   7.6   ?    ?   285.675  -139.652     6.56697    40.3476      187.149     40.3476      
1 1 1 21 3  14 o 0 5.6    7.4   ?    ?   241.251  161.821      69.8931    -18.179      221.732     -18.179      
1 1 1 21 3  15 o 0 105.6  11.3  ?    ?   354.325  62.0316      321.624    62.0316      111.521     62.0316      
1 1 1 21 3  16 o 0 36.5   8.3   ?    ?   234.074  116.466      133.308    116.466      4.78892     -63.5341     
1 1 1 21 3  17 o 0 23.9   8.7   ?    ?   140.005  175.885      70.7955    175.885      11.3564     -4.11523     
1 1 1 21 3  18 o 0 98.9   13.2  ?    ?   373.35   145.247      297.339    145.247      87.2074     145.247      
1 1 1 21 3  19 o 0 5.2    11.6  ?    ?   162.6    56.8661      7.7703     -123.134     98.7204     -123.134     
1 1 1 21 3  20 o 0 70.6   13    ?    ?   330.429  -98.4153     234.062    -98.4153     53.001      -98.4153     
1 1 1 21 3  21 o 0 86     15.2  ?    ?   455.968  167.774      216.643    167.774      31.4595     -12.2256     
1 1 1 21 3  22 o 0 5.4    8.4   ?    ?   41.1177  -0.897118    2.45588    -0.897118    26.3757     179.103      
1 1 1 21 3  23 o 0 151.3  15.8  ?    ?   514.777  111.451      410.765    111.451      45.4425     111.451      
1 1 1 21 3  24 o 0 65.8   10.6  ?    ?   364.181  111.545      238.038    111.545      18.2551     -68.4546     
1 1 1 21 3  25 o 0 52.8   9.8   ?    ?   343.468  -49.8367     195.1      -49.8367     45.0109     130.163      
1 1 1 21 3  26 o 0 23.5   8.7   ?    ?   182.117  -163.186     125.75     -163.186     2.36224     -163.186     
1 1 1 21 3  27 o 0 12.4   9.1   ?    ?   122.212  -21.6092     61.4492    -21.6092     20.5382     158.391      
1 1 1 21 3  28 o 0 103.7  12.8  ?    ?   469.307  -175.571     303.724    -175.571     0.739485    -175.571     
1 1 1 21 3  29 o 0 96.8   14.6  ?    ?   402.602  155.973      316.828    155.973      62.6472     155.973      
1 1 1 21 3  30 o 0 -1.7   9     ?    ?   203.943  38.6554      14.5638    -141.345     134.689     -141.345     
1 1 1 21 3  31 o 0 -0.1   9.5   ?    ?   146.249  -151.634     30.6132    -151.634     46.6864     28.3656      
1 1 1 21 4  0  o 0 605.4  65.1  ?    ?   758.537  90           691.083    90           199.487     90           
1 1 1 21 4  1  o 0 66     8.4   ?    ?   387.446  81.5938      161.853    81.5938      89.617      -98.4062     
1 1 1 21 4  2  o 0 413.5  35    ?    ?   523.202  165.076      777.455    165.076      437.582     165.076      
1 1 1 21 4  3  o 0 63     9.4   ?    ?   311.308  -88.301      186.929    -88.301      15.3526     91.699       
1 1 1 21 4  4  o 0 8.3    6.4   ?    ?   82.4712  55.3255      22.124     -124.675     75.6979     -124.675     
1 1 1 21 4  5  o 0 85.1   8.8   ?    ?   368.935  -81.1784     234.533    -81.1784     4.94604     98.8216      
1 1 1 21 4  6  o 0 86.6   9     ?    ?   346.905  134.539      252.93     134.539      25.7066     134.539      
1 1 1 21 4  7  o 0 82.3   9     ?    ?   344.812  85.7321      240.12     85.7321      14.6449     85.7321      
1 1 1 21 4  8  f 1 14.7   7.7   ?    ?   325.658  -85.1143     59.1       94.8857      271.061     94.8857      
1 1 1 21 4  9  o 0 44.9   7.8   ?    ?   262.964  -94.3792     138.337    -94.3792     32.836      85.6208      
1 1 1 21 4  10 o 0 274.7  22.2  ?    ?   790.115  -12.1782     397.649    -12.1782     115.207     167.822      
1 1 1 21 4  11 o 0 327.3  24.6  ?    ?   726.676  72.2172      531.839    72.2172      71.13       72.2172      
1 1 1 21 4  12 o 0 15     7.2   ?    ?   69.4356  2.34678      9.82496    2.34678      34.0408     -177.653     
1 1 1 21 4  13 o 0 86.7   9.7   ?    ?   372.73   66.8192      244.897    66.8192      10.3423     66.8192      
1 1 1 21 4  14 o 0 100.9  11    ?    ?   454.173  -67.4715     240.196    -67.4715     44.3985     112.529      
1 1 1 21 4  15 o 0 61.2   8.7   ?    ?   198.489  -17.6047     243.706    -17.6047     126.512     -17.6047     
1 1 1 21 4  16 o 0 157    15.4  ?    ?   285.896  127.029      472.369    127.029      304.401     127.029      
1 1 1 21 4  17 o 0 12.6   10    ?    ?   199.359  102.238      11.779     102.238      100.622     -77.7615     
1 1 1 21 4  18 o 0 22.7   9.8   ?    ?   177.701  150.719      72.2113    150.719      27.4095     -29.2808     
1 1 1 21 4  19 o 0 133.3  18.1  ?    ?   364.502  139.324      379.943    139.324      176.839     139.324      
1 1 1 21 4  20 o 0 22.4   11.3  ?    ?   225.271  -172.779     66.8512    -172.779     56.1303     7.22099      
1 1 1 21 4  21 o 0 25.3   10    ?    ?   100.264  92.746       97.1308    92.7459      40.2603     92.7459      
1 1 1 21 4  22 f 1 21.3   8.4   ?    ?   139.679  111.497      101.768    111.497      4.416       111.497      
1 1 1 21 4  23 o 0 436.6  37.4  ?    ?   711.956  -26.3558     802.484    -26.3558     298.915     -26.3558     
1 1 1 21 4  24 o 0 294.1  26.6  ?    ?   640.034  -1.58075     619.549    -1.58075     170.571     -1.58075     
1 1 1 21 4  25 o 0 27.4   8.7   ?    ?   244.647  174.366      116.64     174.366      53.8599     -5.63413     
1 1 1 21 4  26 o 0 38     9.6   ?    ?   173.593  115.843      220.081    115.843      102.816     115.843      
1 1 1 21 4  27 o 0 70.3   12.6  ?    ?   301.456  90.1338      291.64     90.1338      95.5421     90.1338      
1 1 1 21 4  28 f 1 33.2   9.3   ?    ?   176.557  -141.314     192.589    -141.314     79.2037     -141.314     
1 1 1 21 4  29 o 0 -6.5   9     ?    ?   154.155  -70.6634     19.4043    109.337      116.48      109.337      
1 1 1 21 4  30 o 0 -0.3   10.3  ?    ?   144.574  97.2631      19.8885    97.2631      65.0605     -82.7369     
1 1 1 21 4  31 o 0 2.5    10.8  ?    ?   158.437  -30.2405     41.1172    -30.2405     42.4315     149.76       
1 1 1 21 5  0  o 0 33.1   11.9  ?    ?   187.868  -90          99.9476    -90          21.0966     90           
1 1 1 21 5  1  o 0 131.9  17.2  ?    ?   314.258  -69.65       385.379    -69.65       182.594     -69.65       
1 1 1 21 5  2  o 0 80     9.4   ?    ?   242.56   169.152      268.506    169.152      111.847     169.152      
1 1 1 21 5  3  o 0 371    29.2  ?    ?   753.459  105.528      576.193    105.528      89.4068     105.528      
1 1 1 21 5  4  o 0 32.2   8.3   ?    ?   224.929  142.279      88.9811    142.279      57.8088     -37.7207     
1 1 1 21 5  5  o 0 17     7.5   ?    ?   136.627  -31.4714     10.2873    -31.4714     78.8137     148.529      
1 1 1 21 5  6  o 0 606.2  50.8  ?    ?   659.494  -152.959     924.536    -152.959     494.95      -152.959     
1 1 1 21 5  7  o 0 47.2   7.7   ?    ?   204.636  -45.6387     163.006    -45.6387     29.9211     -45.6387     
1 1 1 21 5  8  o 0 23     7.4   ?    ?   218.059  6.82113      39.1165    6.82113      102.415     -173.179     
1 1 1 21 5  9  o 0 1.2    7.3   ?    ?   133.5    -37.4509     52.523     142.549      138.965     142.549      
1 1 1 21 5  10 o 0 200.8  19.7  ?    ?   579.712  49.42        388.938    49.42        14.5993     49.42        
1 1 1 21 5  11 o 0 23.8   8.2   ?    ?   231.734  -144.18      48.6025    -144.18      97.5696     35.82        
1 1 1 21 5  12 o 0 51     8.8   ?    ?   232.663  50.6434      183.746    50.6434      37.4943     50.6434      
1 1 1 21 5  13 o 0 40.3   8.3   ?    ?   257.607  111.335      129.425    111.335      31.893      -68.6652     
1 1 1 21 5  14 o 0 43.1   8.2   ?    ?   251.339  -99.0962     157.881    -99.0962     9.51038     -99.0962     
1 1 1 21 5  15 o 0 151.7  14.1  ?    ?   539.705  -28.5443     334.227    -28.5443     17.0559     -28.5443     
1 1 1 21 5  16 o 0 188.8  15.9  ?    ?   594.156  33.7421      379.326    33.7421      31.8437     33.7421      
1 1 1 21 5  17 o 0 38.3   10.1  ?    ?   80.9959  -35.2255     124.828    -35.2255     79.365      -35.2255     
1 1 1 21 5  18 o 0 142.1  17.9  ?    ?   567.56   13.9998      300.419    13.9998      16.3786     -166         
1 1 1 21 5  19 f 1 36.1   17.2  ?    ?   107.919  -70.4263     129.847    -70.4263     70.9506     -70.4263     
1 1 1 21 5  20 o 0 160.3  20.4  ?    ?   726.934  -51.5509     256.574    -51.5509     138.646     128.449      
1 1 1 21 5  21 o 0 48.5   10.4  ?    ?   247.463  -68.2935     188.302    -68.2935     48.5014     -68.2935     
1 1 1 21 5  22 o 0 33.5   8.9   ?    ?   161.222  -9.42326     185.766    -9.42326     73.5466     -9.42326     
1 1 1 21 5  23 o 0 -6.1   8.7   ?    ?   156.226  -149.838     43.1093    30.1616      153.192     30.1616      
1 1 1 21 5  24 o 0 68.6   12    ?    ?   286.569  -175.846     293.72     -175.846     92.9882     -175.846     
1 1 1 21 5  25 o 0 14.3   9.9   ?    ?   227.753  1.92093      33.0147    1.92093      125.15      -178.079     
1 1 1 21 5  26 o 0 1.6    8.5   ?    ?   102.497  -20.1786     6.40843    -20.1786     62.5931     159.821      
1 1 1 21 5  27 f 1 5.2    9     ?    ?   77.1494  -27.9734     26.2474    -27.9734     23.6446     152.027      
1 1 1 21 5  28 o 0 16.4   8.9   ?    ?   95.2347  -145.796     100.226    -145.796     39.7951     -145.796     
1 1 1 21 5  29 o 0 7.8    8.7   ?    ?   124.867  -13.524      41.5242    -13.524      36.8681     166.476      
1 1 1 21 5  30 o 0 -5     13.8  ?    ?   167.839  -135.012     18.2536    -135.012     80.0774     44.9884      
1 1 1 21 5  31 o 0 0.4    15.4  ?    ?   106.454  -129.347     67.0815    -129.347     11.102      -129.347     
1 1 1 21 6  0  o 0 12.9   11.6  ?    ?   12.3714  90           2.65538    90           5.34647     -90          
1 1 1 21 6  1  o 0 188    16    ?    ?   516.562  -100.146     403.72     -100.146     69.0831     -100.146     
1 1 1 21 6  2  o 0 55.6   9.5   ?    ?   239.935  76.7597      188.568    76.7597      32.9853     76.7597      
1 1 1 21 6  3  f 1 801.8  66.3  ?    ?   921.929  71.6178      959.568    71.6178      363.055     71.6178      
1 1 1 21 6  4  o 0 120.1  10.7  ?    ?   328.621  -14.9762     352.96     -14.9762     139.813     -14.9762     
1 1 1 21 6  5  o 0 299.4  22.3  ?    ?   853.712  68.2844      398.889    68.2844      154.497     -111.716     
1 1 1 21 6  6  o 0 64.7   9.2   ?    ?   469.546  -138.225     112.13     -138.225     191.908     41.7751      
1 1 1 21 6  7  o 0 109.7  12.1  ?    ?   317.037  -175.209     329.354    -175.209     124.374     -175.209     
1 1 1 21 6  8  o 0 159.2  13.5  ?    ?   603.969  13.9463      289.445    13.9463      100.308     -166.054     
1 1 1 21 6  9  o 0 16.4   7.5   ?    ?   251.523  79.8308      18.055     -100.169     179.997     -100.169     
1 1 1 21 6  10 o 0 34     7.8   ?    ?   280.584  13.8116      91.8492    13.8116      84.7004     -166.188     
1 1 1 21 6  11 o 0 597    42.6  ?    ?   926.353  -113.419     749.826    -113.419     168.691     -113.419     
1 1 1 21 6  12 o 0 29.7   8.8   ?    ?   484.126  -129.066     33.2164    50.9338      335.911     50.9338      
1 1 1 21 6  13 o 0 10.1   8.6   ?    ?   61.3404  -129.118     2.29986    -129.118     33.8702     50.8815      
1 1 1 21 6  14 o 0 14     7.9   ?    ?   160.411  -144.181     13.8574    -144.181     80.3497     35.8186      
1 1 1 21 6  15 o 0 456.2  35.8  ?    ?   737.65   -31.7563     706.3      -31.7563     274.985     -31.7563     
1 1 1 21 6  16 o 0 54.7   9     ?    ?   380.918  22.2522      155.544    22.2522      58.323      -157.748     
1 1 1 21 6  17 o 0 135.9  16.9  ?    ?   454.518  -45.4882     346.352    -45.4882     92.4619     -45.4882     
1 1 1 21 6  18 o 0 121.9  15.2  ?    ?   472.671  10.0216      301.511    10.0216      38.923      10.0216      
1 1 1 21 6  19 o 0 111.9  21.4  ?    ?   516.386  -28.4803     251.105    -28.4803     30.1356     151.52       
1 1 1 21 6  20 o 0 177.4  21.4  ?    ?   708.339  -144.411     298.686    -144.411     84.6887     35.5887      
1 1 1 21 6  21 o 0 85.8   13.4  ?    ?   370.925  168.135      310.196    168.135      51.2862     168.135      
1 1 1 21 6  22 f 1 65.6   11    ?    ?   219.271  -33.6357     324.529    -33.6357     169.901     -33.6357     
1 1 1 21 6  23 o 0 209    21    ?    ?   448.034  153.466      582.743    153.466      268.362     153.466      
1 1 1 21 6  24 o 0 31.3   9.1   ?    ?   239.306  -176.61      147.947    -176.61      18.9965     3.3899       
1 1 1 21 6  25 o 0 2.6    8.4   ?    ?   29.9225  -112.542     6.31963    -112.542     13.9282     67.458       
1 1 1 21 6  26 o 0 15.1   9.3   ?    ?   193.726  -136.385     58.7244    -136.385     71.1916     43.6153      
1 1 1 21 6  27 o 0 -1.5   8.7   ?    ?   124.531  -148.194     3.59159    31.8065      84.0306     31.8065      
1 1 1 21 6  28 o 0 86.4   13.2  ?    ?   166.907  -25.6745     416.035    -25.6745     310.507     -25.6745     
1 1 1 21 6  29 f 1 23.5   9.2   ?    ?   290.909  93.4179      81.4884    93.4179      89.8246     -86.5821     
1 1 1 21 6  30 o 0 -1.2   9.6   ?    ?   97.8982  -67.8216     38.4183    -67.8216     13.4967     112.178      
1 1 1 21 7  0  o 0 21     9.3   ?    ?   373.896  90           98.7491    90           141.419     -90          
1 1 1 21 7  1  o 0 6.3    6.8   ?    ?   156.66   -138.056     47.2059    41.944       148         41.944       
1 1 1 21 7  2  f 1 103.5  11.5  ?    ?   450.804  -67.2323     242.049    -67.2323     47.5527     112.768      
1 1 1 21 7  3  o 0 67.5   9     ?    ?   521.27   -94.5995     91.6766    -94.5995     244.221     85.4005      
1 1 1 21 7  4  o 0 1.2    7.2   ?    ?   128.831  85.2113      50.7243    -94.7887     133.738     -94.7887     
1 1 1 21 7  5  o 0 57.7   7.1   ?    ?   157.966  163.124      203.191    163.124      101.456     163.124      
1 1 1 21 7  6  o 0 44.6   6.8   ?    ?   326.269  45.4957      109.905    45.4957      100.02      -134.504     
1 1 1 21 7  7  o 0 204.7  15    ?    ?   646.803  -38.2425     356.685    -38.2425     58.8956     141.758      
1 1 1 21 7  8  o 0 3.7    6.2   ?    ?   152.424  160.888      50.6415    -19.1121     146.434     -19.1121     
1 1 1 21 7  9  o 0 203.6  18.6  ?    ?   549.402  -36.4772     419.437    -36.4772     74.9113     -36.4772     
1 1 1 21 7  10 o 0 325.3  22.6  ?    ?   741.605  57.5838      513.231    57.5838      49.3558     57.5838      
1 1 1 21 7  11 f 1 219.7  16.4  ?    ?   490.463  110.871      483.234    110.871      178.122     110.871      
1 1 1 21 7  12 o 0 354.6  24.6  ?    ?   969.252  -126.98      414.977    -126.98      187.583     53.0204      
1 1 1 21 7  13 o 0 70.7   9.6   ?    ?   335.734  -135.041     224.129    -135.041     27.2667     -135.041     
1 1 1 21 7  14 o 0 0.2    7.1   ?    ?   262.537  -141.078     89.8815    38.922       243.219     38.922       
1 1 1 21 7  15 f 1 77.2   11.4  ?    ?   588.884  140.422      111.714    140.422      229.881     -39.5781     
1 1 1 21 7  16 o 0 145.4  16.4  ?    ?   457.511  -111.504     367.28     -111.504     111.767     -111.504     
1 1 1 21 7  17 f 1 7.3    10.6  ?    ?   44.683   67.0643      2.55802    67.0643      22.2084     -112.936     
1 1 1 21 7  18 f 1 33.4   11.6  ?    ?   278.7    -169.862     106.781    -169.862     44.735      10.138       
1 1 1 21 7  19 o 0 165.7  22.1  ?    ?   541.641  144.163      360.616    144.163      67.0893     144.163      
1 1 1 21 7  20 f 1 68.1   17    ?    ?   396.155  156.06       178.215    156.06       44.4283     -23.9396     
1 1 1 21 7  21 o 0 28.6   11.1  ?    ?   356.62   -105.26      50.8244    -105.26      196.912     74.7404      
1 1 1 21 7  22 o 0 16.6   8.5   ?    ?   128.49   -111.754     80.646     -111.754     9.77368     68.2457      
1 1 1 21 7  23 o 0 75.5   12.1  ?    ?   260.899  -111.022     333.355    -111.022     151.122     -111.022     
1 1 1 21 7  24 o 0 21     8.2   ?    ?   301.758  129.702      40.3701    129.702      169.199     -50.2982     
1 1 1 21 7  25 o 0 19.3   9.6   ?    ?   190.665  101.278      89.1247    101.278      39.3293     -78.7222     
1 1 1 21 7  26 o 0 -8.1   10.2  ?    ?   38.1315  -64.1399     0.209207   -64.1399     24.5505     115.86       
1 1 1 21 7  27 o 0 11.5   9     ?    ?   99.0565  -92.6278     59.6358    -92.6278     4.08205     87.3722      
1 1 1 21 7  28 o 0 111    13.8  ?    ?   424.363  46.0625      348.581    46.0625      81.366      46.0625      
1 1 1 21 7  29 o 0 3.5    10.1  ?    ?   220.811  132.461      1.9566     132.461      127.896     -47.539      
1 1 1 21 7  30 o 0 14.7   10.1  ?    ?   123.543  31.236       103.638    31.236       38.3758     31.236       
1 1 1 21 8  0  o 0 18.1   10.1  ?    ?   247.437  -90          65.1543    -90          92.6093     90           
1 1 1 21 8  1  o 0 105.7  11.6  ?    ?   245.341  38.4163      343.894    38.4163      187.194     38.4163      
1 1 1 21 8  2  o 0 339.5  26.7  ?    ?   764.808  174.398      508.952    174.398      19.9019     174.398      
1 1 1 21 8  3  o 0 33.6   7.3   ?    ?   244.4    84.0877      89.7233    84.0877      66.6497     -95.9123     
1 1 1 21 8  4  o 0 2.1    6.8   ?    ?   166.751  -69.9001     65.4744    110.1        172.175     110.1        
1 1 1 21 8  5  f 1 38.9   6.3   ?    ?   89.1688  -68.2416     95.7373    -68.2416     38.8494     -68.2416     
1 1 1 21 8  6  o 0 114.3  9.9   ?    ?   495.708  150.76       253.767    150.76       56.6565     -29.2396     
1 1 1 21 8  7  o 0 10.2   6     ?    ?   94.1608  -167.655     9.37932    12.345       68.2699     12.345       
1 1 1 21 8  8  o 0 15.4   5.9   ?    ?   226.485  -92.6174     3.22626    87.3826      144.639     87.3826      
1 1 1 21 8  9  o 0 58.1   7.6   ?    ?   294.677  -80.2435     186.577    -80.2435     2.96459     -80.2435     
1 1 1 21 8  10 o 0 -1.5   6.4   ?    ?   180.452  -75.8861     76.3041    104.114      188.471     104.114      
1 1 1 21 8  11 f 1 138.5  13.3  ?    ?   394.388  146.249      380.962    146.249      150.148     146.249      
1 1 1 21 8  12 o 0 266.7  19.2  ?    ?   491.158  79.2594      577.241    79.2594      289.953     79.2594      
1 1 1 21 8  13 o 0 9.1    6.9   ?    ?   108.041  -179.836     6.82275    0.164488     69.7984     0.164488     
1 1 1 21 8  14 o 0 12.2   6.7   ?    ?   36.8946  28.4045      3.86761    28.4045      17.5556     -151.596     
1 1 1 21 8  15 o 0 59.1   8.6   ?    ?   314.034  7.38258      201.208    7.38258      26.018      7.38258      
1 1 1 21 8  16 o 0 7.9    8.4   ?    ?   102.054  114.829      1.51502    -65.1706     58.1901     -65.1706     
1 1 1 21 8  17 o 0 3.2    11.1  ?    ?   102.081  120.198      0.0870959  120.198      55.5435     -59.8025     
1 1 1 21 8  18 o 0 -12.4  16.5  ?    ?   24.3443  39.0119      0.607283   -140.988     13.8042     -140.988     
1 1 1 21 8  19 o 0 28.9   11.8  ?    ?   82.6767  147.123      102.358    147.123      55.7344     147.123      
1 1 1 21 8  20 o 0 -7.3   11.1  ?    ?   172.512  41.2288      42.5295    -138.771     162.529     -138.771     
1 1 1 21 8  21 o 0 13.8   10    ?    ?   94.0001  -3.96164     59.8539    -3.96164     6.41749     176.038      
1 1 1 21 8  22 o 0 52.8   9.4   ?    ?   221.709  118.452      267.295    118.452      112.065     118.452      
1 1 1 21 8  23 o 0 1.1    8     ?    ?   106.473  18.3928      5.84926    -161.607     80.0127     -161.607     
1 1 1 21 8  24 o 0 107.3  14.3  ?    ?   419.279  -125.674     343.029    -125.674     59.5579     -125.674     
1 1 1 21 8  25 o 0 22.4   8.8   ?    ?   291.835  89.4796      58.8585    89.4796      136.818     -90.5204     
1 1 1 21 8  26 o 0 1.6    8.1   ?    ?   162.967  6.24573      7.11619    -173.754     112.44      -173.754     
1 1 1 21 8  27 o 0 26.1   9.2   ?    ?   216.829  -131.26      128.921    -131.26      8.34269     48.7396      
1 1 1 21 8  28 o 0 88.6   13.2  ?    ?   360.373  87.1335      328.357    87.1335      115.165     87.1335      
1 1 1 21 8  29 o 0 30.7   11.3  ?    ?   221.843  -81.7057     144.405    -81.7057     14.5185     -81.7057     
1 1 1 21 8  30 o 0 -2.1   12    ?    ?   56.854   100.189      41.3231    100.189      11.4188     100.189      
1 1 1 21 9  0  f 1 -12.3  11.8  ?    ?   19.1027  -90          1.01599    -90          11.0369     90           
1 1 1 21 9  1  o 0 42.1   7.6   ?    ?   423.429  118.795      48.7527    118.795      219.6       -61.2053     
1 1 1 21 9  2  o 0 343.4  30.1  ?    ?   712.349  -76.6115     540.295    -76.6115     88.2583     -76.6115     
1 1 1 21 9  3  o 0 -0.7   6.6   ?    ?   264.501  -157.558     110.85     22.4423      275.438     22.4423      
1 1 1 21 9  4  o 0 54.8   8.4   ?    ?   317.973  112.483      163.295    112.483      34.6078     -67.5165     
1 1 1 21 9  5  o 0 21.3   6.3   ?    ?   232.617  -65.9724     38.1561    -65.9724     106.584     114.028      
1 1 1 21 9  6  o 0 141    11.5  ?    ?   462.528  78.1612      335.343    78.1612      47.7527     78.1612      
1 1 1 21 9  7  o 0 83.5   8.7   ?    ?   322.508  143.357      257.391    143.357      57.0914     143.357      
1 1 1 21 9  8  o 0 56     7.4   ?    ?   190.216  -140.52      210.396    -140.52      92.4412     -140.52      
1 1 1 21 9  9  o 0 129.3  10.9  ?    ?   437.172  168.34       319.941    168.34       49.37       168.34       
1 1 1 21 9  10 o 0 52.3   7.5   ?    ?   360.16   -67.453      147.961    -67.453      62.5552     112.547      
1 1 1 21 9  11 o 0 225.9  16.8  ?    ?   624.137  51.1784      433.125    51.1784      69.2838     51.1784      
1 1 1 21 9  12 o 0 17.9   6.8   ?    ?   93.6822  60.6143      33.4541    60.6143      20.9935     -119.386     
1 1 1 21 9  13 o 0 102.7  10.8  ?    ?   460.761  7.97493      252.882    7.97493      14.0088     -172.025     
1 1 1 21 9  14 o 0 39.9   8.5   ?    ?   256.078  93.6922      148.033    93.6922      5.45921     93.6922      
1 1 1 21 9  15 o 0 290.9  24.2  ?    ?   602.254  145.326      555.117    145.326      221.171     145.326      
1 1 1 21 9  16 o 0 10.8   8     ?    ?   66.1011  99.8608      12.3004    99.8608      23.6838     -80.1392     
1 1 1 21 9  17 o 0 58.6   11    ?    ?   214.841  -87.6967     237.117    -87.6967     120.723     -87.6967     
1 1 1 21 9  18 o 0 -18.1  10.8  ?    ?   137.664  -85.4983     42.1416    94.5017      116.338     94.5017      
1 1 1 21 9  19 o 0 68.3   12.3  ?    ?   305.23   -49.8133     283.871    -49.8133     71.473      -49.8133     
1 1 1 21 9  20 o 0 7.8    11.1  ?    ?   81.6244  -174.05      19.2933    -174.05      37.1674     5.95004      
1 1 1 21 9  21 o 0 50.3   10.7  ?    ?   242.461  56.2696      242.838    56.2696      72.8402     56.2696      
1 1 1 21 9  22 o 0 32.3   11.7  ?    ?   133.203  70.7038      183.366    70.7038      90.4048     70.7038      
1 1 1 21 9  23 o 0 35.7   9.4   ?    ?   225.233  165.211      178.769    165.211      22.7201     165.211      
1 1 1 21 9  24 o 0 24.3   8.5   ?    ?   209.894  -101.96      118.765    -101.96      22.3984     78.0404      
1 1 1 21 9  25 f 1 62.5   11.5  ?    ?   276.898  -46.6004     276.851    -46.6004     97.708      -46.6004     
1 1 1 21 9  26 o 0 41.8   9.1   ?    ?   212.108  -144.408     222.353    -144.408     85.9665     -144.408     
1 1 1 21 9  27 o 0 19.5   9.2   ?    ?   75.9456  -74.6456     112.442    -74.6456     64.6042     -74.6456     
1 1 1 21 9  28 o 0 37.6   9.9   ?    ?   294.574  160.992      162.137    160.992      11.2748     -19.0083     
1 1 1 21 9  29 o 0 13.8   11    ?    ?   265.448  42.6639      41.9809    42.6639      98.4936     -137.336     
1 1 1 21 10 0  o 0 -1.1   9.8   ?    ?   102.371  -90          8.35642    -90          54.5708     90           
1 1 1 21 10 1  f 1 45.4   8.2   ?    ?   617.907  8.58007      35.8441    -171.42      415.453     -171.42      
1 1 1 21 10 2  o 0 27.5   6.7   ?    ?   254.911  -105.841     66.6384    -105.841     90.592      74.159       
1 1 1 21 10 3  o 0 105.7  10.5  ?    ?   590.565  -136.888     173.251    -136.888     191.331     43.1116      
1 1 1 21 10 4  o 0 9.7    6.5   ?    ?   320.283  120.876      80.2162    -59.1243     278.013     -59.1243     
1 1 1 21 10 5  o 0 46.4   7     ?    ?   68.017   -76.3965     115.237    -76.3965     73.2374     -76.3965     
1 1 1 21 10 6  o 0 57.2   7.3   ?    ?   185.979  21.7678      214.382    21.7678      99.6071     21.7678      
1 1 1 21 10 7  o 0 278.7  19.6  ?    ?   785.184  111.665      407.164    111.665      76.9177     -68.335      
1 1 1 21 10 8  o 0 -0.8   6.2   ?    ?   147.121  30.8143      53.0275    -149.186     138.765     -149.186     
1 1 1 21 10 9  o 0 63.1   7.9   ?    ?   274.101  92.8576      224.125    92.8576      64.675      92.8576      
1 1 1 21 10 10 o 0 52.4   7.4   ?    ?   349.181  143.731      152.541    143.731      50.1427     -36.269      
1 1 1 21 10 11 o 0 186.4  14.5  ?    ?   544.831  -70.9248     398.67     -70.9248     83.2247     -70.9248     
1 1 1 21 10 12 f 1 21.4   7     ?    ?   133.884  -106.743     68.0704    -106.743     6.30629     73.2566      
1 1 1 21 10 13 f 1 10.7   7.4   ?    ?   95.6897  145.115      7.35891    145.115      45.6268     -34.885      
1 1 1 21 10 14 o 0 6.1    8.1   ?    ?   173.226  -72.8388     21.1088    107.161      116.928     107.161      
1 1 1 21 10 15 o 0 43.7   9.9   ?    ?   152.555  133.344      190.614    133.344      107.729     133.344      
1 1 1 21 10 16 o 0 122.5  14.1  ?    ?   502.913  -87.0472     291.581    -87.0472     19.5266     -87.0472     
1 1 1 21 10 17 f 1 -4.1   9     ?    ?   290.093  113.832      83.1151    -66.168      238.903     -66.168      
1 1 1 21 10 18 o 0 6.2    10.3  ?    ?   95.8979  3.0821       10.0532    3.0821       43.6888     -176.918     
1 1 1 21 10 19 o 0 3      10.7  ?    ?   225.266  26.362       32.0177    -153.638     187.827     -153.638     
1 1 1 21 10 20 f 1 18.4   9.1   ?    ?   236.87   -93.917      56.329     -93.917      109.394     86.083       
1 1 1 21 10 21 o 0 12.6   8.2   ?    ?   95.9479  125.897      49.1868    125.897      17.691      -54.103      
1 1 1 21 10 22 o 0 55.3   11    ?    ?   250.645  -85.9513     257.867    -85.9513     83.956      -85.9513     
1 1 1 21 10 23 o 0 1.5    8.3   ?    ?   161.539  172.627      10.9116    -7.37318     119.773     -7.37318     
1 1 1 21 10 24 o 0 194.4  20.9  ?    ?   513.428  103.43       491.57     103.43       148.211     103.43       
1 1 1 21 10 25 o 0 3.3    8.6   ?    ?   43.1816  -150.349     12.6513    -150.349     15.2021     29.6511      
1 1 1 21 10 26 o 0 -9.8   9.5   ?    ?   102.302  134.413      8.02289    -45.587      72.7027     -45.587      
1 1 1 21 10 27 o 0 153.7  16.2  ?    ?   462.382  95.3728      450.839    95.3728      177.459     95.3728      
1 1 1 21 10 28 o 0 18.9   10.3  ?    ?   113.309  -105.676     116.062    -105.676     49.7132     -105.676     
1 1 1 21 10 29 o 0 60.6   12.6  ?    ?   367.66   -4.62917     231.763    -4.62917     38.2182     -4.62917     
1 1 1 21 11 0  o 0 -2.7   10.3  ?    ?   76.7174  -90          5.97458    -90          40.7702     90           
1 1 1 21 11 1  o 0 35.5   7.2   ?    ?   216.076  -65.7318     116.885    -65.7318     15.0571     114.268      
1 1 1 21 11 2  f 1 16     6.8   ?    ?   174.718  -108.609     11.7932    -108.609     94.7882     71.3914      
1 1 1 21 11 3  o 0 85.8   10    ?    ?   343.614  -24.2255     249.836    -24.2255     39.4683     -24.2255     
1 1 1 21 11 4  o 0 39.6   7.6   ?    ?   222.692  -105.102     134.313    -105.102     2.09502     74.8984      
1 1 1 21 11 5  o 0 59.6   7.6   ?    ?   365.694  -17.1666     171.011    -17.1666     41.0338     162.833      
1 1 1 21 11 6  o 0 94.4   9.5   ?    ?   373.215  150.145      275.565    150.145      59.2502     150.145      
1 1 1 21 11 7  o 0 108.1  10    ?    ?   382.416  175.314      307.824    175.314      86.3658     175.314      
1 1 1 21 11 8  o 0 107.2  10.1  ?    ?   518.098  13.3277      235.44     13.3277      64.2123     -166.672     
1 1 1 21 11 9  o 0 51.3   7.5   ?    ?   226.569  -84.708      195.486    -84.708      64.6635     -84.708      
1 1 1 21 11 10 o 0 123.4  11.8  ?    ?   633.608  -4.35629     211.853    -4.35629     153.249     175.644      
1 1 1 21 11 11 o 0 316.2  25.7  ?    ?   631.473  65.687       579.449    65.687       229.243     65.687       
1 1 1 21 11 12 o 0 48.3   8.8   ?    ?   318.068  22.9966      157.312    22.9966      18.593      -157.003     
1 1 1 21 11 13 o 0 25.9   7.2   ?    ?   290.808  154.64       66.3954    154.64       93.928      -25.3596     
1 1 1 21 11 14 o 0 13.2   7.5   ?    ?   332.891  6.52423      27.1108    -173.476     207.455     -173.476     
1 1 1 21 11 15 o 0 447.9  35.3  ?    ?   822.129  -93.6264     648.273    -93.6264     204.607     -93.6264     
1 1 1 21 11 16 o 0 46     9.7   ?    ?   366.064  163.607      128.879    163.607      67.8324     -16.393      
1 1 1 21 11 17 o 0 42.8   11.4  ?    ?   180.381  139.511      184.303    139.511      83.3648     139.511      
1 1 1 21 11 18 o 0 19.1   11.8  ?    ?   183.173  115.285      73.726     115.285      52.8438     -64.7151     
1 1 1 21 11 19 o 0 116.9  15.4  ?    ?   572.382  -142.492     269.171    -142.492     132.118     37.508       
1 1 1 21 11 20 f 1 95.7   11.8  ?    ?   392.426  -28.7891     325.481    -28.7891     52.6563     -28.7891     
1 1 1 21 11 21 f 1 23.5   8     ?    ?   140.044  144.63       136.148    144.63       39.179      144.63       
1 1 1 21 11 22 o 0 3.9    7.6   ?    ?   146.848  -100.567     1.35021    -100.567     97.7124     79.4333      
1 1 1 21 11 23 o 0 11.3   7.9   ?    ?   89.2786  -79.2769     52.3911    -79.2769     7.40808     100.723      
1 1 1 21 11 24 o 0 79.4   12.8  ?    ?   317.508  69.5304      313.541    69.5304      108.306     69.5304      
1 1 1 21 11 25 o 0 13     9.9   ?    ?   290.315  104.813      3.458      104.813      180.583     -75.1869     
1 1 1 21 11 26 o 0 49.1   10.3  ?    ?   246.975  13.1236      234.366    13.1236      79.1341     13.1236      
1 1 1 21 11 27 o 0 3.2    8.9   ?    ?   109.419  136.164      32.3824    136.164      31.9357     -43.8356     
1 1 1 21 11 28 o 0 27.3   10    ?    ?   258.111  -70.747      126.175    -70.747      10.3069     109.253      
1 1 1 21 12 0  o 0 7.9    12.1  ?    ?   39.1593  90           7.15023    90           15.2275     -90          
1 1 1 21 12 1  o 0 6.7    6.9   ?    ?   113.114  -149.098     16.6813    30.902       81.4715     30.902       
1 1 1 21 12 2  o 0 21.5   7.1   ?    ?   307.942  18.5037      21.836     18.5037      154.857     -161.496     
1 1 1 21 12 3  o 0 262.1  20.2  ?    ?   722.09   -129.453     434.056    -129.453     19.2322     -129.453     
1 1 1 21 12 4  o 0 11.7   7     ?    ?   156.405  -123.477     0.0878251  -123.477     89.8251     56.5234      
1 1 1 21 12 5  o 0 110    10.8  ?    ?   432.773  -115.181     285.224    -115.181     36.3851     -115.181     
1 1 1 21 12 6  o 0 73.5   8.5   ?    ?   481.432  169.048      157.31     169.048      119.435     -10.9516     
1 1 1 21 12 7  o 0 102.5  10.2  ?    ?   301.06   16.371       327.531    16.371       154.592     16.371       
1 1 1 21 12 8  o 0 96.5   9.9   ?    ?   296.727  -13.6434     312.699    -13.6434     142.44      -13.6434     
1 1 1 21 12 9  o 0 9.3    7.2   ?    ?   155.85   -78.4791     4.91135    101.521      91.0551     101.521      
1 1 1 21 12 10 o 0 60.7   9     ?    ?   535.597  27.7158      97.9185    27.7158      197.56      -152.284     
1 1 1 21 12 11 o 0 493.6  35.7  ?    ?   980.888  -86.4147     617.926    -86.4147     78.0266     -86.4147     
1 1 1 21 12 12 o 0 68.6   8.5   ?    ?   374.683  -107.646     202.433    -107.646     3.25062     72.3541      
1 1 1 21 12 13 f 1 -5.6   7.2   ?    ?   92.0977  51.0524      28.4409    -128.948     78.0181     -128.948     
1 1 1 21 12 14 o 0 11     7.7   ?    ?   189.674  -144.163     6.92177    -144.163     95.097      35.8367      
1 1 1 21 12 15 o 0 44.6   9.7   ?    ?   491.267  -41.287      54.0871    -41.287      221.306     138.713      
1 1 1 21 12 16 o 0 168.6  18    ?    ?   429.254  78.2011      511.382    78.2011      213.994     78.2011      
1 1 1 21 12 17 o 0 14.4   8.7   ?    ?   199.851  -61.7835     35.4058    -61.7835     102.424     118.217      
1 1 1 21 12 18 o 0 24.9   9.3   ?    ?   104.836  -49.86       136.417    -49.86       63.0231     -49.86       
1 1 1 21 12 19 o 0 22.4   8.4   ?    ?   226.193  102.882      91.1118    102.882      66.4003     -77.118      
1 1 1 21 12 20 o 0 69.8   9.9   ?    ?   329.997  156.827      272.924    156.827      43.9415     156.827      
1 1 1 21 12 21 o 0 -5.7   9.8   ?    ?   33.8834  -146.442     0.0136635  33.5583      22.8725     33.5583      
1 1 1 21 12 22 o 0 19     8.3   ?    ?   117.974  77.453       110.393    77.453       31.3283     77.453       
1 1 1 21 12 23 o 0 12.8   8.2   ?    ?   155.263  -35.9179     60.7647    -35.9179     39.7076     144.082      
1 1 1 21 12 24 o 0 50     9.3   ?    ?   217.753  33.8015      257.543    33.8015      117.69      33.8015      
1 1 1 21 12 25 o 0 9.9    8.4   ?    ?   58.2723  -24.8647     45.9391    -24.8647     9.23203     -24.8647     
1 1 1 21 12 26 o 0 -0.3   9.9   ?    ?   90.7638  104.415      26.8768    104.415      26.6239     -75.5845     
1 1 1 21 12 27 f 1 13.3   11    ?    ?   151.781  -100.894     89.2776    -100.894     8.95576     -100.894     
1 1 1 21 13 0  f 1 33     10.6  ?    ?   60.5137  90           49.5861    90           15.4275     90           
1 1 1 21 13 1  o 0 4      6.5   ?    ?   84.177   39.8592      19.3382    -140.141     67.0962     -140.141     
1 1 1 21 13 2  o 0 325    24.3  ?    ?   709.389  84.3759      531.581    84.3759      128.331     84.3759      
1 1 1 21 13 3  o 0 63.7   8.7   ?    ?   158.387  5.14874      245.959    5.14874      155.8       5.14874      
1 1 1 21 13 4  o 0 43.8   7.9   ?    ?   207.958  -166.845     166.747    -166.845     48.2684     -166.845     
1 1 1 21 13 5  o 0 32.6   7     ?    ?   251.787  -132.646     105.342    -132.646     38.161      47.3541      
1 1 1 21 13 6  o 0 235.9  19.3  ?    ?   619.036  -99.9341     455.209    -99.9341     114.857     -99.9341     
1 1 1 21 13 7  o 0 524.1  40.6  ?    ?   1047.45  74.8925      615.15     74.8925      39.561      74.8925      
1 1 1 21 13 8  o 0 9      8.1   ?    ?   115.805  75.5103      0.912572   75.5103      62.6625     -104.49      
1 1 1 21 13 9  o 0 -5.1   7.4   ?    ?   88.1612  3.77332      28.8626    -176.227     77.1953     -176.227     
1 1 1 21 13 10 o 0 74     8.6   ?    ?   292.889  -159.07      254.674    -159.07      94.387      -159.07      
1 1 1 21 13 11 o 0 164.4  16.1  ?    ?   658.181  -114.857     303.904    -114.857     50.5294     65.1428      
1 1 1 21 13 12 o 0 42.4   9     ?    ?   288.632  174.329      149.121    174.329      5.91401     -5.67053     
1 1 1 21 13 13 f 1 5.6    8     ?    ?   128.041  -55.5944     8.09143    124.406      76.4898     124.406      
1 1 1 21 13 14 o 0 49     8.8   ?    ?   322.368  -132.208     156.849    -132.208     23.1784     47.792       
1 1 1 21 13 15 o 0 55     9.1   ?    ?   355.821  129.181      200.406    129.181      45.2905     -50.8189     
1 1 1 21 13 16 o 0 47.1   9.3   ?    ?   105.453  -12.1696     272.29     -12.1696     198.31      -12.1696     
1 1 1 21 13 17 o 0 24.7   9.2   ?    ?   180.424  -2.39478     126.18     -2.39478     0.166501    -2.39478     
1 1 1 21 13 18 o 0 2.5    8.7   ?    ?   128.157  170.273      4.86647    -9.72743     93.9421     -9.72743     
1 1 1 21 13 19 o 0 69.9   11.1  ?    ?   342.547  95.0083      262.685    95.0083      25.3253     95.0083      
1 1 1 21 13 20 o 0 53.6   9.4   ?    ?   327.757  -144.835     212.674    -144.835     8.24402     35.165       
1 1 1 21 13 21 o 0 17.2   7.7   ?    ?   44.7031  -47.6011     63.4041    -47.6011     33.4563     -47.6011     
1 1 1 21 13 22 o 0 7.8    8.7   ?    ?   205.119  -176.335     10.4941    -176.335     122.257     3.665        
1 1 1 21 13 23 o 0 -1.1   8.7   ?    ?   122.615  117.864      2.19763    -62.1358     80.9993     -62.1358     
1 1 1 21 13 24 o 0 52.4   8.9   ?    ?   195.546  -32.6992     283.154    -32.6992     159.828     -32.6992     
1 1 1 21 13 25 o 0 3.4    7.5   ?    ?   187.594  -36.7028     3.86732    -36.7028     106.904     143.297      
1 1 1 21 13 26 o 0 4.3    8.1   ?    ?   76.3632  145.394      50.0747    145.394      9.46565     145.394      
1 1 1 21 13 27 o 0 17.7   9.3   ?    ?   125.182  96.2385      123.339    96.2385      57.3616     96.2385      
1 1 1 21 14 0  f 1 67.5   16.2  ?    ?   598.611  -90          207.988    -90          114.711     90           
1 1 1 21 14 1  o 0 0.4    6.8   ?    ?   186.386  37.0323      52.2224    -142.968     153.23      -142.968     
1 1 1 21 14 2  o 0 174.8  15.8  ?    ?   582.899  43.1202      356.801    43.1202      40.2415     43.1202      
1 1 1 21 14 3  o 0 27.8   7.8   ?    ?   157.785  -105.49      105.947    -105.49      20.1232     -105.49      
1 1 1 21 14 4  o 0 -5.3   8.2   ?    ?   89.7474  -98.9421     26.6852    81.0579      75.5529     81.0579      
1 1 1 21 14 5  o 0 15.8   6.9   ?    ?   189.17   125.09       29.3423    125.09       73.7179     -54.9097     
1 1 1 21 14 6  o 0 209.8  17.9  ?    ?   545.682  -9.20792     441.823    -9.20792     144.509     -9.20792     
1 1 1 21 14 7  o 0 -1.4   6.4   ?    ?   59.2211  60.0405      18.2218    -119.959     50.4764     -119.959     
1 1 1 21 14 8  o 0 8.4    7.2   ?    ?   134.446  -126.55      0.610763   -126.55      71.5412     53.4505      
1 1 1 21 14 9  o 0 -1.5   7.7   ?    ?   111.16   62.9078      25.3528    -117.092     84.9352     -117.092     
1 1 1 21 14 10 o 0 24.1   8.4   ?    ?   377.194  -32.2334     19.9921    -32.2334     181.856     147.767      
1 1 1 21 14 11 o 0 62.8   10.5  ?    ?   411.251  129.153      167.558    129.153      52.0698     -50.8475     
1 1 1 21 14 12 o 0 178.8  16.8  ?    ?   561.501  162.612      365.381    162.612      52.4244     162.612      
1 1 1 21 14 13 o 0 3.7    7.6   ?    ?   80.5422  76.6893      6.57489    -103.311     62.1292     -103.311     
1 1 1 21 14 14 o 0 43.2   9.1   ?    ?   364.593  -137.705     138.311    -137.705     112.367     42.2949      
1 1 1 21 14 15 o 0 15.7   7.9   ?    ?   46.1745  -135.073     45.1316    -135.073     12.8608     -135.073     
1 1 1 21 14 16 o 0 46.6   9.3   ?    ?   249.743  19.4193      222.155    19.4193      48.3046     19.4193      
1 1 1 21 14 17 o 0 -9.6   10.9  ?    ?   25.0736  15.5235      2.15014    -164.477     19.5664     -164.477     
1 1 1 21 14 18 o 0 5.2    9.4   ?    ?   65.9166  81.6054      17.4747    81.6054      28.0936     -98.3946     
1 1 1 21 14 19 o 0 18.2   7.5   ?    ?   102.032  172.076      105.81     172.076      37.1651     172.076      
1 1 1 21 14 20 o 0 137.2  12.7  ?    ?   503.722  36.3731      375.626    36.3731      38.6259     36.3731      
1 1 1 21 14 21 o 0 0.7    7.4   ?    ?   36.219   -66.0656     2.81226    -66.0656     20.6083     113.934      
1 1 1 21 14 22 o 0 8      7.5   ?    ?   119.15   41.5924      34.2447    41.5924      42.3046     -138.408     
1 1 1 21 14 23 o 0 55.7   9.4   ?    ?   292.372  112.671      244.753    112.671      60.3265     112.671      
1 1 1 21 14 24 o 0 14.3   8.1   ?    ?   82.8503  -82.6507     93.2441    -82.6507     44.2869     -82.6507     
1 1 1 21 14 25 o 0 -8.6   8.5   ?    ?   46.3997  -39.9283     11.0426    -39.9283     13.6638     140.072      
1 1 1 21 14 26 o 0 0.5    7.4   ?    ?   90.053   -17.9075     30.1475    -17.9075     17.4024     162.093      
1 1 1 21 15 0  o 0 15.3   12.2  ?    ?   43.0805  90           12.9875    90           10.0495     -90          
1 1 1 21 15 1  o 0 32.6   7.9   ?    ?   389.937  176.41       55.1652    176.41       153.955     -3.58967     
1 1 1 21 15 2  o 0 221.4  20.8  ?    ?   692.338  95.0586      378.716    95.0586      6.56013     95.0586      
1 1 1 21 15 3  o 0 16.4   8.1   ?    ?   265.37   -85.3537     11.741     -85.3537     131.157     94.6463      
1 1 1 21 15 4  o 0 5      8.2   ?    ?   186.26   -23.8724     20.7946    156.128      119.825     156.128      
1 1 1 21 15 5  o 0 12     6.7   ?    ?   199.462  -159.56      10.0514    -159.56      96.0765     20.4403      
1 1 1 21 15 6  o 0 117.6  11.7  ?    ?   473.878  -27.1344     291.352    -27.1344     39.1489     -27.1344     
1 1 1 21 15 7  o 0 98.8   11.9  ?    ?   555.746  -88.893      202.696    -88.893      93.0192     91.107       
1 1 1 21 15 8  o 0 32.3   8.4   ?    ?   249.432  129.115      117.868    129.115      14.7707     -50.8845     
1 1 1 21 15 9  o 0 3.8    8.1   ?    ?   105.088  110.458      10.0805    -69.5416     65.903      -69.5416     
1 1 1 21 15 10 o 0 93.1   11.6  ?    ?   445.904  101.853      232.286    101.853      15.1476     -78.1474     
1 1 1 21 15 11 o 0 30.9   7.6   ?    ?   162.029  105.733      170.555    105.733      59.1848     105.733      
1 1 1 21 15 12 f 1 42.6   8.4   ?    ?   266.615  -143.525     192.392    -143.525     10.0251     -143.525     
1 1 1 21 15 13 o 0 -4     7.1   ?    ?   13.8692  -151.102     3.6123     28.8979      13.2888     28.8979      
1 1 1 21 15 14 o 0 15.9   6.8   ?    ?   145.513  -114.876     74.982     -114.876     26.2294     65.1245      
1 1 1 21 15 15 o 0 44     11    ?    ?   249.6    156.719      204.449    156.719      31.4432     156.719      
1 1 1 21 15 16 f 1 58.9   11.7  ?    ?   285.904  136.461      251.208    136.461      53.8803     136.461      
1 1 1 21 15 17 o 0 3.2    8.8   ?    ?   133.601  -25.5659     1.9487     -25.5659     90.1044     154.434      
1 1 1 21 15 18 o 0 30.3   8     ?    ?   164.098  100.438      183.272    100.438      73.182      100.438      
1 1 1 21 15 19 o 0 81.1   9.6   ?    ?   338.232  -23.3882     311.003    -23.3882     85.2458     -23.3882     
1 1 1 21 15 20 o 0 -6.4   7.5   ?    ?   124.286  5.35984      26.8583    -174.64      107.079     -174.64      
1 1 1 21 15 21 f 1 -2.3   7.4   ?    ?   72.0025  155.559      5.1886     -24.4412     51.2675     -24.4412     
1 1 1 21 15 22 o 0 19     8.1   ?    ?   153.528  3.16163      111.238    3.16163      14.4711     3.16163      
1 1 1 21 15 23 o 0 30.3   8.5   ?    ?   184.677  -61.2384     184.914    -61.2384     75.817      -61.2384     
1 1 1 21 15 24 o 0 30.7   8.9   ?    ?   190.503  -27.9082     194.677    -27.9082     93.2143     -27.9082     
1 1 1 21 15 25 o 0 14.4   8.1   ?    ?   163.088  -118.224     92.9312    -118.224     6.74794     -118.224     
1 1 1 21 16 0  o 0 19.4   14.4  ?    ?   358.138  90           83.7254    90           103.037     -90          
1 1 1 21 16 1  o 0 16     7.6   ?    ?   225.407  -27.7319     29.3384    -27.7319     88.5722     152.268      
1 1 1 21 16 2  o 0 93.7   12.1  ?    ?   359.191  51.5984      279.074    51.5984      90.7073     51.5984      
1 1 1 21 16 3  o 0 31.7   8.1   ?    ?   225.358  82.5453      121.468    82.5453      3.05333     82.5453      
1 1 1 21 16 4  o 0 21.3   8.3   ?    ?   265.08   144.514      48.8314    144.514      90.6564     -35.4859     
1 1 1 21 16 5  o 0 22.3   6.9   ?    ?   223.894  137.753      73.9546    137.753      43.9709     -42.2467     
1 1 1 21 16 6  f 1 74.2   9.6   ?    ?   403.944  -93.331      200.147    -93.331      21.9615     86.669       
1 1 1 21 16 7  o 0 132.6  14.5  ?    ?   503.958  -22.7515     296.037    -22.7515     18.226      -22.7515     
1 1 1 21 16 8  o 0 18.2   8.1   ?    ?   179.074  162.874      71.5492    162.874      50.9018     -17.1258     
1 1 1 21 16 9  o 0 35.6   7.4   ?    ?   147.859  -46.8256     198.854    -46.8256     97.8406     -46.8256     
1 1 1 21 16 10 f 1 21.4   7.6   ?    ?   283.852  85.4094      52.4511    85.4094      140.714     -94.5906     
1 1 1 21 16 11 f 1 4.9    7.2   ?    ?   200.666  -1.93758     26.1094    178.062      165.17      178.062      
1 1 1 21 16 12 o 0 6.1    7.3   ?    ?   108.399  -78.649      8.41916    -78.649      66.7319     101.351      
1 1 1 21 16 13 o 0 5.5    8.5   ?    ?   36.8835  150.122      7.65684    150.122      17.8483     -29.8784     
1 1 1 21 16 14 o 0 27.2   7.2   ?    ?   89.312   -156.374     162.36     -156.374     100.648     -156.374     
1 1 1 21 16 15 f 1 12.1   7.5   ?    ?   89.1094  152.574      49.5897    152.574      11.6171     -27.4256     
1 1 1 21 16 16 o 0 7.2    7.8   ?    ?   102.635  102.597      28.655     102.597      40.2265     -77.4033     
1 1 1 21 16 17 o 0 -6.2   7.7   ?    ?   10.1536  19.5731      1.74839    -160.427     8.53426     -160.427     
1 1 1 21 16 18 o 0 -3.4   6.5   ?    ?   26.4937  -91.6343     4.00811    88.3657      21.1465     88.3657      
1 1 1 21 16 19 o 0 15.9   7.2   ?    ?   84.5239  44.7078      88.1354    44.7078      33.7326     44.7078      
1 1 1 21 16 20 o 0 32.8   7.9   ?    ?   297.738  -137.67      135.874    -137.67      52.5583     42.3303      
1 1 1 21 16 21 o 0 3.2    7.5   ?    ?   47.4114  -137.091     13.7341    -137.091     16.0949     42.9094      
1 1 1 21 16 22 o 0 25.9   8.2   ?    ?   145.849  -128.05      168.443    -128.05      82.3938     -128.05      
1 1 1 21 16 23 o 0 26.4   8.1   ?    ?   310.655  -102.782     110.759    -102.782     54.5726     77.2178      
1 1 1 21 16 24 o 0 49.3   9.5   ?    ?   336.675  146.322      214.592    146.322      36.7165     146.322      
1 1 1 21 17 0  o 0 -22.1  9.7   ?    ?   50.3099  90           2.22331    90           24.9058     -90          
1 1 1 21 17 1  o 0 184.7  18.8  ?    ?   768.372  -30.3971     255.226    -30.3971     160.485     149.603      
1 1 1 21 17 2  f 1 61.3   10.4  ?    ?   481.221  -58.9595     116.617    -58.9595     143.778     121.041      
1 1 1 21 17 3  f 1 35.8   9.1   ?    ?   164.979  133.341      192.943    133.341      81.9129     133.341      
1 1 1 21 17 4  f 1 7.3    7.8   ?    ?   63.2504  -154.035     6.73501    -154.035     35.9021     25.965       
1 1 1 21 17 5  o 0 3.2    7.4   ?    ?   125.4    4.84576      18.1262    -175.154     102.972     -175.154     
1 1 1 21 17 6  o 0 150.1  13.6  ?    ?   512.563  -150.385     405.474    -150.385     58.4523     -150.385     
1 1 1 21 17 7  o 0 188.6  17.1  ?    ?   549.769  114.37       471.912    114.37       99.6405     114.37       
1 1 1 21 17 8  o 0 27.9   7.9   ?    ?   313.408  -45.5493     85.325     -45.5493     131.103     134.451      
1 1 1 21 17 9  o 0 6.3    6.5   ?    ?   74.7675  122.117      7.95394    122.117      43.6394     -57.8831     
1 1 1 21 17 10 o 0 59.5   9.5   ?    ?   272.844  -22.7923     264.338    -22.7923     76.2839     -22.7923     
1 1 1 21 17 11 o 0 169.5  18    ?    ?   473.448  -40.0936     466.491    -40.0936     140.696     -40.0936     
1 1 1 21 17 12 o 0 30.9   7.4   ?    ?   306.084  -104.554     109.141    -104.554     101.521     75.4463      
1 1 1 21 17 13 o 0 -0.6   6.6   ?    ?   28.1622  -14.9235     4.29715    165.076      23.6325     165.076      
1 1 1 21 17 14 o 0 33.3   8     ?    ?   185.814  -33.6081     184.929    -33.6081     57.7184     -33.6081     
1 1 1 21 17 15 o 0 40.8   8.6   ?    ?   123.587  88.7862      250.182    88.7862      167.682     88.7862      
1 1 1 21 17 16 o 0 19.5   7.6   ?    ?   198.409  143.991      90.7776    143.991      41.1821     -36.0086     
1 1 1 21 17 17 o 0 6.1    7.4   ?    ?   79.7968  -149.421     23.9247    -149.421     27.4711     30.579       
1 1 1 21 17 18 o 0 18.8   7.1   ?    ?   158.75   -163.79      106.759    -163.79      4.97243     -163.79      
1 1 1 21 17 19 o 0 65.6   9.2   ?    ?   246.061  127.001      311.464    127.001      156.255     127.001      
1 1 1 21 17 20 o 0 88.9   10.7  ?    ?   407.491  -9.52501     295.207    -9.52501     39.556      -9.52501     
1 1 1 21 17 21 o 0 35.1   11.1  ?    ?   146.49   -32.5728     205.664    -32.5728     119.436     -32.5728     
1 1 1 21 17 22 o 0 0.7    7.7   ?    ?   117.584  -133.751     30.175     -133.751     32.292      46.2493      
1 1 1 21 17 23 o 0 76.1   10.2  ?    ?   417.66   65.4871      278.027    65.4871      57.6406     65.4871      
1 1 1 21 18 0  f 1 -8.7   9.1   ?    ?   82.7892  -90          8.48771    -90          47.203      90           
1 1 1 21 18 1  o 0 2.7    7.3   ?    ?   206.25   170.709      39.5154    -9.29104     179.105     -9.29104     
1 1 1 21 18 2  o 0 317.7  35.7  ?    ?   576.568  -135.707     664.231    -135.707     272.86      -135.707     
1 1 1 21 18 3  o 0 5.6    9.5   ?    ?   120.424  -149.204     14.8459    -149.204     67.0927     30.7955      
1 1 1 21 18 4  o 0 40.9   9.8   ?    ?   311.304  -8.21914     153.656    -8.21914     58.5515     171.781      
1 1 1 21 18 5  o 0 20.9   7.3   ?    ?   170.092  -138.447     105.652    -138.447     10.4492     41.5528      
1 1 1 21 18 6  o 0 98.3   11    ?    ?   474.708  69.8404      276.004    69.8404      48.2922     -110.16      
1 1 1 21 18 7  o 0 20.4   8.6   ?    ?   182.752  80.1568      93.6436    80.1568      31.2461     -99.8432     
1 1 1 21 18 8  o 0 80.3   13.4  ?    ?   415.178  -18.9303     247.694    -18.9303     35.9977     161.07       
1 1 1 21 18 9  o 0 -3.4   10.8  ?    ?   112.215  81.8482      3.34537    -98.1518     80.1464     -98.1518     
1 1 1 21 18 10 o 0 48.7   8.3   ?    ?   221.23   -25.9321     246.116    -25.9321     94.8585     -25.9321     
1 1 1 21 18 11 f 1 108.5  11.9  ?    ?   356.339  -152.216     381.032    -152.216     138.38      -152.216     
1 1 1 21 18 12 o 0 20.6   7.5   ?    ?   103.064  123.741      123.369    123.741      54.6651     123.741      
1 1 1 21 18 13 o 0 12.5   7.5   ?    ?   111.006  143.519      62.2414    143.519      11.5857     -36.4807     
1 1 1 21 18 14 o 0 4.8    7.3   ?    ?   127.247  49.355       8.72701    49.355       75.6701     -130.645     
1 1 1 21 18 15 o 0 27.7   8.3   ?    ?   255.74   -172.556     124.239    -172.556     40.1792     7.44432      
1 1 1 21 18 16 o 0 12.2   7.4   ?    ?   186.27   104.627      44.8348    104.627      74.4916     -75.3734     
1 1 1 21 18 17 o 0 9.2    6.6   ?    ?   110.435  30.0629      48.8624    30.0629      20.8027     -149.937     
1 1 1 21 18 18 o 0 9.5    6.6   ?    ?   179.881  39.9512      31.1422    39.9512      81.8276     -140.049     
1 1 1 21 18 19 o 0 25.7   8.2   ?    ?   199.886  -65.309      146.062    -65.309      28.1688     -65.309      
1 1 1 21 18 20 o 0 81.6   10.3  ?    ?   282.737  -125.685     350.811    -125.685     184.939     -125.685     
1 1 1 21 18 21 o 0 17     7.8   ?    ?   105.658  78.3521      127.615    78.3521      71.6414     78.3521      
1 1 1 21 19 0  o 0 -19.7  11.9  ?    ?   54.7084  -90          5.38205    -90          31.048      90           
1 1 1 21 19 1  f 1 50.9   11.3  ?    ?   159.242  152.306      268.255    152.305      162.092     152.305      
1 1 1 21 19 2  o 0 7      7.6   ?    ?   199.261  103.645      10.2351    -76.3549     143.843     -76.3549     
1 1 1 21 19 3  o 0 10.9   7.6   ?    ?   199.924  76.2624      19.9923    76.2624      114.704     -103.738     
1 1 1 21 19 4  o 0 0.6    8.1   ?    ?   65.9273  70.1906      1.15436    -109.809     45.6635     -109.809     
1 1 1 21 19 5  o 0 -1.3   6.9   ?    ?   76.0665  117.137      13.2816    -62.8632     64.7149     -62.8632     
1 1 1 21 19 6  o 0 37.9   7.9   ?    ?   229.579  68.0526      187.572    68.0526      32.1798     68.0526      
1 1 1 21 19 7  o 0 278.4  25.4  ?    ?   614.104  -50.6863     583.299    -50.6863     167.417     -50.6863     
1 1 1 21 19 8  o 0 50.1   8.3   ?    ?   229.151  119.122      245.907    119.122      90.7134     119.122      
1 1 1 21 19 9  o 0 34.1   8     ?    ?   172.898  -92.1711     199.625    -92.1711     85.1199     -92.1711     
1 1 1 21 19 10 o 0 15.4   6.7   ?    ?   149.445  171.793      80.0844    171.793      18.8025     -8.20712     
1 1 1 21 19 11 o 0 301.1  25.5  ?    ?   702.015  -18.4223     573.783    -18.4223     109.87      -18.4223     
1 1 1 21 19 12 o 0 8.1    7     ?    ?   102.925  -25.8186     29.3632    -25.8186     38.5342     154.181      
1 1 1 21 19 13 o 0 11.3   7     ?    ?   57.2068  102.994      44.0853    102.994      7.4689      102.994      
1 1 1 21 19 14 o 0 2.1    7.2   ?    ?   58.0608  165.19       6.20174    165.19       30.8641     -14.8097     
1 1 1 21 19 15 o 0 13     7.5   ?    ?   80.2894  -159.327     73.5918    -159.327     23.0698     -159.327     
1 1 1 21 19 16 o 0 21.5   7.4   ?    ?   161.255  -8.68643     129.087    -8.68643     27.9703     -8.68643     
1 1 1 21 19 17 o 0 -4.2   7.8   ?    ?   119.899  -152.144     1.46115    27.8562      72.1375     27.8562      
1 1 1 21 19 18 o 0 -10    7.2   ?    ?   58.6963  -7.30391     7.40363    172.696      41.8526     172.696      
1 1 1 21 19 19 f 1 61.5   9     ?    ?   256.876  154.738      309.036    154.738      173.117     154.738      
1 1 1 21 19 20 o 0 10.9   7     ?    ?   144.961  133.608      76.7335    133.608      0.23652     133.608      
1 1 1 21 20 0  o 0 30.6   12    ?    ?   243.069  90           145.119    90           14.9577     -90          
1 1 1 21 20 1  o 0 21.7   7.7   ?    ?   143.245  163.136      117.034    163.136      22.3221     163.136      
1 1 1 21 20 2  o 0 77.5   11    ?    ?   143.144  5.18693      379.702    5.18693      284.737     5.18693      
1 1 1 21 20 3  o 0 100.6  14.1  ?    ?   307.893  -14.0279     370.023    -14.0279     165.182     -14.0279     
1 1 1 21 20 4  f 1 65.8   10.2  ?    ?   168.084  -158.762     337.675    -158.762     228.313     -158.762     
1 1 1 21 20 5  o 0 25.7   7.3   ?    ?   146.203  -92.7776     157.724    -92.7776     62.1867     -92.7776     
1 1 1 21 20 6  o 0 65.8   8.3   ?    ?   314.883  -147.307     265.575    -147.307     59.5616     -147.307     
1 1 1 21 20 7  o 0 200.1  15.6  ?    ?   546.439  79.2763      488.229    79.2763      130.46      79.2763      
1 1 1 21 20 8  o 0 33.4   7     ?    ?   292.248  -99.4615     134.483    -99.4615     56.9062     80.5385      
1 1 1 21 20 9  o 0 15     6.4   ?    ?   175.141  15.3388      73.1896    15.3388      38.3163     -164.661     
1 1 1 21 20 10 o 0 63.8   9.3   ?    ?   370.244  -85.7295     228.705    -85.7295     6.85122     94.2705      
1 1 1 21 20 11 o 0 111.8  11.8  ?    ?   431.765  -158.131     348.86     -158.131     74.4799     -158.131     
1 1 1 21 20 12 o 0 32.4   7.8   ?    ?   290.641  154.522      132.383    154.522      52.0189     -25.4782     
1 1 1 21 20 13 o 0 33.6   8.6   ?    ?   162.755  -5.10643     204.778    -5.10643     102.894     -5.10643     
1 1 1 21 20 14 o 0 52.2   9.4   ?    ?   359.973  -149.211     187.484    -149.211     37.2978     30.7894      
1 1 1 21 20 15 f 1 85.3   11.9  ?    ?   376.47   -84.4254     311.231    -84.4254     90.5927     -84.4254     
1 1 1 21 20 16 o 0 10.6   7.5   ?    ?   151.764  120.383      58.2099    120.383      30.6631     -59.6167     
1 1 1 21 20 17 o 0 1.4    6.8   ?    ?   20.7361  -5.36442     11.8955    -5.36442     0.908845    -5.36442     
1 1 1 21 20 18 o 0 1.9    7.1   ?    ?   51.112   -168.408     27.593     -168.408     0.627499    -168.408     
1 1 1 21 21 0  f 1 4.2    12    ?    ?   138.429  90           38.2936    90           49.4383     -90          
1 1 1 21 21 1  o 0 21.1   8.5   ?    ?   190.19   -145.227     98.6672    -145.227     22.6873     34.7728      
1 1 1 21 21 2  o 0 57.6   11.4  ?    ?   312.294  -60.9483     220.942    -60.9483     20.9561     -60.9483     
1 1 1 21 21 3  o 0 41     8.5   ?    ?   255.741  46.8439      186.516    46.8439      22.2482     46.8439      
1 1 1 21 21 4  o 0 -6.2   7.5   ?    ?   37.9067  -89.1947     5.66802    90.8053      29.4033     90.8053      
1 1 1 21 21 5  o 0 29.7   8.6   ?    ?   282.452  96.731       117.683    96.731       59.5197     -83.269      
1 1 1 21 21 6  f 1 10.4   6.3   ?    ?   22.7656  -143.172     17.4193    -143.172     3.15321     -143.172     
1 1 1 21 21 7  o 0 54.3   7.6   ?    ?   242.55   162.742      262.986    162.742      110.46      162.742      
1 1 1 21 21 8  o 0 12.3   6.2   ?    ?   115.429  -140.471     63.8068    -140.471     8.81117     39.5294      
1 1 1 21 21 9  o 0 -4.7   6.7   ?    ?   167.6    97.7169      37.6476    -82.2831     141.888     -82.2831     
1 1 1 21 21 10 o 0 10.3   7.9   ?    ?   67.3752  -49.4759     51.4008    -49.4759     9.51869     -49.4759     
1 1 1 21 21 11 o 0 43.5   8.2   ?    ?   266.782  143.388      203.602    143.388      37.9294     143.388      
1 1 1 21 21 12 o 0 16.3   8.4   ?    ?   199.681  161.582      68.7734    161.582      55.0494     -18.4182     
1 1 1 21 21 13 o 0 -13.4  9     ?    ?   65.7876  -14.3872     3.35462    165.613      41.7808     165.613      
1 1 1 21 21 14 o 0 8      7.5   ?    ?   114.368  -98.6552     49.8414    -98.6552     16.8027     81.3448      
1 1 1 21 21 15 o 0 53.4   9.8   ?    ?   319.556  71.0654      239.956    71.0654      71.3087     71.0654      
1 1 1 21 21 16 o 0 -6.3   6.9   ?    ?   96.7369  24.4148      4.07785    24.4148      46.809      -155.585     
1 1 1 21 22 0  o 0 31.3   12.1  ?    ?   50.1691  90           78.2253    90           47.6713     90           
1 1 1 21 22 1  o 0 213    19.7  ?    ?   632.96   -179.079     440.848    -179.079     53.6551     -179.079     
1 1 1 21 22 2  o 0 51.4   10.6  ?    ?   198.906  -41.8372     257.203    -41.8372     135.061     -41.8372     
1 1 1 21 22 3  o 0 78.1   10.5  ?    ?   450.419  -17.3735     228.22     -17.3735     46.1286     162.627      
1 1 1 21 22 4  o 0 -4     6.4   ?    ?   80.2512  -85.3135     11.257     94.6865      60.2698     94.6865      
1 1 1 21 22 5  o 0 7.8    6.8   ?    ?   103.954  -3.89353     38.7709    -3.89353     24.8554     176.106      
1 1 1 21 22 6  o 0 37.8   7.6   ?    ?   113.589  -119.504     239.457    -119.504     169.819     -119.504     
1 1 1 21 22 7  o 0 5.6    6.9   ?    ?   33.3049  -113.143     14.4953    -113.143     5.94546     66.8569      
1 1 1 21 22 8  o 0 21.7   8.5   ?    ?   217.904  40.8302      96.0281    40.8302      37.7918     -139.17      
1 1 1 21 22 9  o 0 5.5    6.9   ?    ?   74.9787  100.278      34.2199    100.278      9.24087     -79.7224     
1 1 1 21 22 10 o 0 44.8   9.3   ?    ?   248.468  38.9215      222.311    38.9215      78.3404     38.9215      
1 1 1 21 22 11 o 0 43.9   7.9   ?    ?   273.195  -136.588     209.741    -136.588     51.5756     -136.588     
1 1 1 21 22 12 o 0 13.4   6.9   ?    ?   104.248  8.68222      105.208    8.68222      50.4633     8.68222      
1 1 1 21 22 13 o 0 28.8   8.6   ?    ?   156.966  -175.244     187.982    -175.244     105.7       -175.244     
1 1 1 21 22 14 o 0 14.1   9.8   ?    ?   119.934  -60.4595     101.242    -60.4595     38.5123     -60.4595     
1 1 1 21 23 0  o 0 5.7    12.1  ?    ?   84.0974  90           34.1746    90           12.9017     -90          
1 1 1 21 23 1  o 0 49.7   9.2   ?    ?   326.592  6.1277       199.772    6.1277       16.1004     6.1277       
1 1 1 21 23 2  o 0 45.1   8.8   ?    ?   242.785  101.838      224.062    101.838      86.9666     101.838      
1 1 1 21 23 4  o 0 8.7    7.3   ?    ?   37.7316  -12.7512     33.5269    -12.7512     12.0841     -12.7512     
1 1 1 21 23 5  o 0 12.5   6.9   ?    ?   189.465  -110.57      56.823     -110.57      51.1056     69.4298      
1 1 1 21 23 6  o 0 23.6   6.8   ?    ?   284.321  -95.5994     95.9307    -95.5994     66.33       84.4006      
1 1 1 21 23 7  o 0 12.9   6.4   ?    ?   217.074  143.291      48.3137    143.291      75.7325     -36.7089     
1 1 1 21 23 8  o 0 21.6   6.5   ?    ?   202.554  66.6391      139.534    66.6391      34.3225     66.6391      
1 1 1 21 23 9  o 0 0.9    7.2   ?    ?   68.5152  -87.1913     28.6487    -87.1913     6.95063     92.8087      
1 1 1 21 23 10 o 0 25     8.3   ?    ?   229.948  134.458      133.647    134.458      14.1927     134.458      
1 1 1 21 24 0  o 0 3.1    12.7  ?    ?   93.8492  -90          38.4284    -90          8.54636     90           
1 1 1 21 24 1  o 0 6.2    7.3   ?    ?   184.491  14.6407      31.4603    14.6407      61.3354     -165.359     
1 1 1 21 24 2  o 0 114.6  13.5  ?    ?   516.125  -159.654     324.214    -159.654     63.4991     -159.654     
1 1 1 21 24 3  o 0 1.6    7.4   ?    ?   123.595  -166.526     28.99      -166.526     33.6746     13.4739      
1 1 1 21 24 4  o 0 13.2   6.5   ?    ?   123.024  89.6379      96.7417    89.6379      34.171      89.6379      
1 1 1 21 24 5  f 1 2.3    6.7   ?    ?   160.741  -148.008     17.5914    -148.008     64.1634     31.9918      
1 1 1 21 24 6  o 0 66.4   9.9   ?    ?   275.248  139.361      303.853    139.361      163.211     139.361      
1 1 1 22 0  0  o 0 9.2    15.8  ?    ?   248.262  -180         23.409     180          138.853     3.38773e-13  
1 1 1 22 0  1  o 0 174.3  20.5  ?    ?   597.132  90           372.831    90           18.3698     -90          
1 1 1 22 0  2  o 0 59.5   9.7   ?    ?   488.152  180          216.73     180          103.612     1.46772e-14  
1 1 1 22 0  3  o 0 108.4  14.7  ?    ?   422.009  90           294.195    90           16.9706     90           
1 1 1 22 0  4  o 0 7.9    8.3   ?    ?   170.531  180          22.662     180          89.411      1.67656e-15  
1 1 1 22 0  5  f 1 142.2  16.3  ?    ?   749.815  90           338.107    90           153.341     -90          
1 1 1 22 0  6  o 0 6.4    11.1  ?    ?   14.6962  -1.0033e-13  2.02543    0            7.62519     180          
1 1 1 22 0  7  o 0 96.1   13.8  ?    ?   404.223  90           275.979    90           10.8461     90           
1 1 1 22 0  8  o 0 4.8    9.5   ?    ?   21.5294  -180         2.7282     180          11.0862     1.76526e-13  
1 1 1 22 0  9  o 0 131.1  16    ?    ?   443.283  -90          322.31     -90          38.4762     -90          
1 1 1 22 0  10 o 0 41.4   10.3  ?    ?   377.022  0            173.482    0            67.3115     180          
1 1 1 22 0  11 o 0 -7.7   9.7   ?    ?   6.35548  -90          0.367454   -90          3.67959     90           
1 1 1 22 0  12 o 0 198.8  24    ?    ?   672.37   -1.14622e-15 392.355    0            11.5621     180          
1 1 1 22 0  13 o 0 429.7  42.3  ?    ?   895.634  -90          573.849    -90          37.8386     -90          
1 1 1 22 0  14 o 0 144.9  18    ?    ?   523.532  -1.46039e-17 332.436    0            20.4238     2.23102e-16  
1 1 1 22 0  15 o 0 116.5  19.4  ?    ?   328.392  90           293.984    90           106.027     90           
1 1 1 22 0  16 f 1 84.3   16.9  ?    ?   225.14   1.76973e-15  243.627    0            115.735     -1.95561e-15 
1 1 1 22 0  17 f 1 31.3   15.8  ?    ?   100.436  -90          65.4521    -90          8.70538     -90          
1 1 1 22 0  18 o 0 84.1   21.5  ?    ?   211.344  180          235.324    180          117.947     180          
1 1 1 22 0  19 o 0 8.2    15.7  ?    ?   72.4344  90           18.0732    90           21.9068     -90          
1 1 1 22 0  20 o 0 8.9    12.6  ?    ?   66.053   180          17.854     180          20.0353     6.25277e-15  
1 1 1 22 0  21 o 0 155.3  21.5  ?    ?   374.33   90           405.717    90           141.119     90           
1 1 1 22 0  22 o 0 -9.7   12.7  ?    ?   44.6043  1.53344e-14  7.3621     0            24.5605     -180         
1 1 1 22 0  23 o 0 79.9   15.6  ?    ?   275.276  -90          283.005    -90          87.1298     -90          
1 1 1 22 0  24 o 0 4.9    11.6  ?    ?   88.3441  0            27.3672    0            34.9659     180          
1 1 1 22 0  25 o 0 23.1   13.2  ?    ?   346.381  -90          121.722    -90          115.235     90           
1 1 1 22 0  26 o 0 56.2   14.5  ?    ?   306.903  180          223.463    180          21.225      180          
1 1 1 22 0  28 o 0 9.5    13.4  ?    ?   62.4867  -5.99421e-15 32.2411    0            7.64597     180          
1 1 1 22 0  29 o 0 5.7    13.8  ?    ?   56.4009  90           26.8979    90           6.70646     -90          
1 1 1 22 1  0  o 0 47.5   10.3  ?    ?   159.626  -1.47101e-14 141.916    0            37.8692     4.04164e-14  
1 1 1 22 1  1  o 0 19     6.2   ?    ?   211.889  105.782      16.2729    105.782      122.155     -74.2177     
1 1 1 22 1  2  o 0 41.7   7.3   ?    ?   94.099   -24.5455     111.89     -24.5455     50.3146     -24.5455     
1 1 1 22 1  3  o 0 145.1  14.1  ?    ?   501.208  171.055      322.583    171.055      5.71518     -8.9447      
1 1 1 22 1  4  o 0 441.3  31.5  ?    ?   593.18   -36.9424     773.709    -36.9424     385.01      -36.9424     
1 1 1 22 1  5  o 0 13.3   5.9   ?    ?   133.419  2.36731      8.90145    -177.633     96.315      -177.633     
1 1 1 22 1  6  o 0 16.4   6.2   ?    ?   246.069  -20.844      15.2893    159.156      176.401     159.156      
1 1 1 22 1  7  o 0 55     7.4   ?    ?   249.387  -70.746      185.549    -70.746      22.4559     -70.746      
1 1 1 22 1  8  o 0 450.9  32.5  ?    ?   845.661  35.647       638.458    35.647       97.4284     35.647       
1 1 1 22 1  9  o 0 353.4  26.1  ?    ?   925.779  -174.724     451.716    -174.724     139.341     5.27594      
1 1 1 22 1  10 f 1 -2.4   6.9   ?    ?   225.574  -160.543     98.0059    19.4566      241.292     19.4566      
1 1 1 22 1  11 o 0 -4.8   6.8   ?    ?   67.6491  -107.209     30.5345    72.7911      73.4912     72.7911      
1 1 1 22 1  12 o 0 52.7   8.2   ?    ?   359.375  178.518      153.287    178.518      62.0103     -1.48208     
1 1 1 22 1  13 o 0 594.7  39.8  ?    ?   1043     -73.1992     713.576    -73.1992     91.0402     -73.1992     
1 1 1 22 1  14 o 0 47.4   8.7   ?    ?   323.432  -142.872     147.163    -142.872     45.0944     37.1276      
1 1 1 22 1  15 o 0 42     10    ?    ?   271.445  -147.04      154.126    -147.04      0.847952    32.9596      
1 1 1 22 1  16 o 0 66.3   11.3  ?    ?   275.583  175.245      244.396    175.245      87.8255     175.245      
1 1 1 22 1  17 o 0 101.2  16.3  ?    ?   556.602  -129.055     206.753    -129.055     107.813     50.9451      
1 1 1 22 1  18 o 0 353.5  32.4  ?    ?   788.617  74.876       556.445    74.876       119.424     74.876       
1 1 1 22 1  19 o 0 53.8   12.1  ?    ?   291.506  87.4859      193.188    87.4859      32.627      87.4859      
1 1 1 22 1  20 o 0 241.7  20.8  ?    ?   513.112  36.2693      515.281    36.2693      221.527     36.2693      
1 1 1 22 1  21 o 0 8.6    8.8   ?    ?   184.209  102.208      1.70553    102.208      128.265     -77.7915     
1 1 1 22 1  22 o 0 48.6   9.6   ?    ?   300.926  -107.531     206.983    -107.531     8.0179      72.4691      
1 1 1 22 1  23 o 0 9.2    8.8   ?    ?   151.656  -58.6821     30.7626    -58.6821     76.9801     121.318      
1 1 1 22 1  24 o 0 18.4   8.8   ?    ?   110.302  -131.2       98.6209    -131.2       20.9067     -131.2       
1 1 1 22 1  25 o 0 19.8   9.3   ?    ?   205.864  141.791      87.9532    141.791      52.6946     -38.2094     
1 1 1 22 1  26 o 0 59.9   10.8  ?    ?   270.979  139.327      274.779    139.327      96.4199     139.327      
1 1 1 22 1  27 o 0 6      9.7   ?    ?   40.1116  42.8489      20.7964    42.8489      5.34752     -137.151     
1 1 1 22 1  28 o 0 -3.1   10.7  ?    ?   92.7535  159.383      14.8676    159.383      44.2884     -20.6171     
1 1 1 22 1  29 f 1 1.8    10.7  ?    ?   115.293  117.944      36.1528    117.944      32.3144     -62.0557     
1 1 1 22 1  30 o 0 48.7   15    ?    ?   214.461  42.3273      229.615    42.3273      114.963     42.3273      
1 1 1 22 2  0  o 0 1.1    7.9   ?    ?   26.1892  180          1.87772    180          15.1331     -5.37723e-13 
1 1 1 22 2  1  o 0 290.9  21.3  ?    ?   730.49   -27.2991     463.925    -27.2991     11.6185     152.701      
1 1 1 22 2  2  o 0 50.1   8.2   ?    ?   331.191  -56.8023     131.742    -56.8023     84.2031     123.198      
1 1 1 22 2  3  o 0 0.3    5.6   ?    ?   159.865  -75.858      74.5327    104.142      178.87      104.142      
1 1 1 22 2  4  o 0 886.6  73    ?    ?   1297.73  99.3932      802.548    99.3932      44.7588     -80.6068     
1 1 1 22 2  5  o 0 33.9   7.2   ?    ?   257.785  -95.9199     88.9658    -95.9199     79.3212     84.0801      
1 1 1 22 2  6  o 0 39.6   6.7   ?    ?   312.211  -45.3133     95.4439    -45.3133     108.239     134.687      
1 1 1 22 2  7  o 0 173.5  13.2  ?    ?   451.33   159.134      413.85     159.134      119.745     159.134      
1 1 1 22 2  8  o 0 157.4  12.7  ?    ?   579.347  97.5225      313.418    97.5225      55.92       -82.4775     
1 1 1 22 2  9  o 0 451.3  30.8  ?    ?   755.257  -65.42       691.579    -65.42       211.075     -65.42       
1 1 1 22 2  10 o 0 29.1   7.5   ?    ?   208      76.7625      89.9995    76.7625      42.0087     -103.238     
1 1 1 22 2  11 o 0 12.2   7.1   ?    ?   131.896  -153.953     4.43194    26.0467      87.902      26.0467      
1 1 1 22 2  12 o 0 97.9   10.2  ?    ?   421.813  145.962      268.765    145.962      16.8976     145.962      
1 1 1 22 2  13 o 0 117.5  11.2  ?    ?   476.898  68.5596      291.193    68.5596      7.46536     68.5596      
1 1 1 22 2  14 o 0 44.7   8     ?    ?   367.568  -146.93      114.996    -146.93      102.811     33.0705      
1 1 1 22 2  15 o 0 24.3   9.2   ?    ?   136.011  -89.9074     83.0739    -89.9074     5.65859     -89.9074     
1 1 1 22 2  16 o 0 38.6   10.3  ?    ?   412.01   144.879      74.4175    144.879      158.974     -35.1212     
1 1 1 22 2  17 o 0 50.6   12.1  ?    ?   290.793  70.2661      176.252    70.2661      12.3749     70.2661      
1 1 1 22 2  18 o 0 29.9   11.1  ?    ?   304.7    35.4774      80.0067    35.4774      88.3855     -144.523     
1 1 1 22 2  19 o 0 7.2    10.8  ?    ?   98.4897  -0.719073    9.0851     -0.719073    45.0212     179.281      
1 1 1 22 2  20 o 0 45.3   9     ?    ?   94.2574  -73.3587     241.567    -73.3587     174.767     -73.3587     
1 1 1 22 2  21 o 0 79.9   11    ?    ?   471.795  -10.7491     229.308    -10.7491     102.784     169.251      
1 1 1 22 2  22 o 0 17.2   8.9   ?    ?   89.248   73.6989      80.3745    73.6989      16.7529     73.6989      
1 1 1 22 2  23 o 0 35.7   9.5   ?    ?   237.55   -166.824     176.348    -166.824     7.93909     -166.824     
1 1 1 22 2  24 o 0 14.4   9.2   ?    ?   128.657  142.438      69.1946    142.438      21.2724     -37.5615     
1 1 1 22 2  25 o 0 3.1    8.8   ?    ?   40.6642  -114.527     10.5288    -114.527     17.2021     65.4726      
1 1 1 22 2  26 o 0 7.3    8.7   ?    ?   309.95   12.6002      47.8206    -167.4       251.483     -167.4       
1 1 1 22 2  27 o 0 26.4   9     ?    ?   138.276  2.30867      168.24     2.30867      79.2741     2.30867      
1 1 1 22 2  28 o 0 3.9    9.2   ?    ?   139.819  -149.631     21.736     -149.631     67.3104     30.3686      
1 1 1 22 2  29 o 0 -4.9   10.7  ?    ?   91.7384  -135.408     18.9264    -135.408     35.6235     44.5924      
1 1 1 22 2  30 o 0 61.8   16.1  ?    ?   177.447  -111.698     299.929    -111.698     205.172     -111.698     
1 1 1 22 3  0  o 0 292.9  33.3  ?    ?   515.654  -6.58236e-14 476.396    0            142.872     1.5366e-13   
1 1 1 22 3  1  o 0 144.3  12.8  ?    ?   568.911  23.3757      277.862    23.3757      90.9258     -156.624     
1 1 1 22 3  2  o 0 -1.1   6.2   ?    ?   54.6064  96.4535      25.1137    -83.5465     60.5673     -83.5465     
1 1 1 22 3  3  o 0 304.4  22.4  ?    ?   741.498  16.7977      478.014    16.7977      3.87656     -163.202     
1 1 1 22 3  4  o 0 65.4   8.2   ?    ?   271.732  115.777      215.313    115.777      38.6462     115.777      
1 1 1 22 3  5  o 0 194.7  15.3  ?    ?   248.47   -24.7554     557.573    -24.7554     396.051     -24.7554     
1 1 1 22 3  6  o 0 201.7  15.9  ?    ?   416.303  105.345      489.792    105.345      219.338     105.345      
1 1 1 22 3  7  o 0 45.6   9.1   ?    ?   183.931  -13.2187     172.817    -13.2187     55.8583     -13.2187     
1 1 1 22 3  8  f 1 19.5   6.7   ?    ?   296.494  17.0126      0.0978501  17.0126      187.662     -162.987     
1 1 1 22 3  9  o 0 1142   74.6  ?    ?   1213.02  0.389755     1087.74    0.389755     319.119     0.389755     
1 1 1 22 3  10 o 0 23.7   7     ?    ?   315.543  -98.2454     21.785     -98.2454     177.681     81.7546      
1 1 1 22 3  11 f 1 11.3   7.1   ?    ?   106.783  162.554      5.55983    -17.4462     72.7006     -17.4462     
1 1 1 22 3  12 o 0 56     8.1   ?    ?   469.335  -111.121     108.27     -111.121     170.903     68.879       
1 1 1 22 3  13 o 0 254.1  20    ?    ?   586.314  -130.815     510.63     -130.815     163.107     -130.815     
1 1 1 22 3  14 o 0 28.4   8.6   ?    ?   191.497  33.7987      100.271    33.7987      12.7901     -146.201     
1 1 1 22 3  15 o 0 48.3   10.3  ?    ?   310.649  -1.3489      163.355    -1.3489      12.8348     178.651      
1 1 1 22 3  16 o 0 85.7   12.8  ?    ?   386.318  -89.1958     253.725    -89.1958     35.6402     -89.1958     
1 1 1 22 3  17 o 0 195.9  19.4  ?    ?   600.836  129.948      404.225    129.948      71.4325     129.948      
1 1 1 22 3  18 o 0 94.5   13.8  ?    ?   490.104  3.23197      229.626    3.23197      40.3571     -176.768     
1 1 1 22 3  19 o 0 90.3   14.5  ?    ?   472.543  -17.4614     223.163    -17.4614     35.6271     162.539      
1 1 1 22 3  20 o 0 -7.7   7.9   ?    ?   66.7558  -16.2514     24.5338    163.749      71.7027     163.749      
1 1 1 22 3  21 o 0 115.7  13.7  ?    ?   489.278  68.2528      331.669    68.2528      18.6532     -111.747     
1 1 1 22 3  22 o 0 201.7  19.3  ?    ?   563.072  -174.463     498.92     -174.463     98.6276     -174.463     
1 1 1 22 3  23 o 0 0.2    8.7   ?    ?   74.4734  -131.081     0.149763   48.9189      52.809      48.9189      
1 1 1 22 3  24 o 0 43.2   9.3   ?    ?   184.554  114.528      240.98     114.528      111.531     114.528      
1 1 1 22 3  25 o 0 108.6  13.1  ?    ?   335.597  -11.617      404.441    -11.617      176.12      -11.617      
1 1 1 22 3  26 o 0 81.6   12    ?    ?   449.623  -59.0952     247.764    -59.0952     47.0193     120.905      
1 1 1 22 3  27 o 0 61.1   10.3  ?    ?   312.161  158.224      258.031    158.224      57.6079     158.224      
1 1 1 22 3  28 o 0 3.9    9.8   ?    ?   80.8271  3.67967      30.802     3.67967      20.5739     -176.32      
1 1 1 22 3  29 o 0 50.7   15.3  ?    ?   184.17   -150.985     246.296    -150.985     136.983     -150.985     
1 1 1 22 4  0  o 0 41.3   9.7   ?    ?   464.814  180          173.104    180          126.068     -2.1753e-13  
1 1 1 22 4  1  o 0 23.9   6.3   ?    ?   268.303  -60.8416     30.2177    -60.8416     142.856     119.158      
1 1 1 22 4  2  o 0 24.9   6.1   ?    ?   210.002  18.6379      52.2994    18.6379      83.3818     -161.362     
1 1 1 22 4  3  o 0 213.2  16.3  ?    ?   797.493  -84.5094     282.523    -84.5094     233.246     95.4906      
1 1 1 22 4  4  o 0 228.6  17.7  ?    ?   872.957  -50.5043     264.289    -50.5043     300.532     129.496      
1 1 1 22 4  5  o 0 648.3  45.6  ?    ?   1020.01  72.7887      743        72.7887      83.0936     72.7887      
1 1 1 22 4  6  o 0 58.5   7.6   ?    ?   157.975  54.0914      224.933    54.0914      124.844     54.0914      
1 1 1 22 4  7  o 0 226    17.9  ?    ?   500.569  8.62226      495.236    8.62226      178.419     8.62226      
1 1 1 22 4  8  f 1 489.6  35    ?    ?   787.213  -82.4988     716.194    -82.4988     219.975     -82.4988     
1 1 1 22 4  9  f 1 320.9  27.9  ?    ?   496.773  -145.822     653.278    -145.822     340.734     -145.822     
1 1 1 22 4  10 o 0 212.7  17.8  ?    ?   634.097  -174.925     388.885    -174.925     10.1636     5.07537      
1 1 1 22 4  11 o 0 5.9    6.9   ?    ?   109.91   -35.5765     19.3977    144.424      84.6954     144.424      
1 1 1 22 4  12 o 0 29.6   8.2   ?    ?   250.447  -164.671     94.0285    -164.671     54.3053     15.3286      
1 1 1 22 4  13 o 0 30.8   7.4   ?    ?   224.978  147.694      107.902    147.694      24.8889     -32.3062     
1 1 1 22 4  14 o 0 61.4   10    ?    ?   525.052  138.308      107.972    138.308      189.876     -41.6916     
1 1 1 22 4  15 o 0 -1.3   9.9   ?    ?   76.5411  25.6108      13.6483    -154.389     56.8863     -154.389     
1 1 1 22 4  16 o 0 41.6   10.2  ?    ?   182.026  104.459      172.781    104.459      70.4232     104.459      
1 1 1 22 4  17 o 0 268.4  24    ?    ?   777.359  -125.392     436.353    -125.392     7.41903     -125.392     
1 1 1 22 4  18 f 1 137.8  15.7  ?    ?   437.98   -99.7089     363.789    -99.7089     124.024     -99.7089     
1 1 1 22 4  19 o 0 43.1   8.9   ?    ?   278.613  106.557      156.914    106.557      2.1457      -73.4427     
1 1 1 22 4  20 o 0 72     10.9  ?    ?   297.446  -67.7292     308.568    -67.7292     99.1211     -67.7292     
1 1 1 22 4  21 o 0 10.4   8.7   ?    ?   173.148  67.4156      27.0749    67.4156      96.4859     -112.584     
1 1 1 22 4  22 o 0 200.4  17.4  ?    ?   527.522  7.1684       521.473    7.1684       147.657     7.1684       
1 1 1 22 4  23 o 0 -3.7   8.7   ?    ?   107.76   -133.992     16.8559    46.008       92.8166     46.008       
1 1 1 22 4  24 o 0 17.4   8.9   ?    ?   145.583  -110.25      94.7303    -110.25      4.86822     69.7499      
1 1 1 22 4  25 o 0 18     9.3   ?    ?   188.498  145.838      81.5242    145.838      46.3547     -34.1615     
1 1 1 22 4  26 o 0 77.3   11.3  ?    ?   346.79   176.233      296.657    176.233      69.9108     176.233      
1 1 1 22 4  27 o 0 7.7    10.8  ?    ?   158.239  -62.3892     43.1242    -62.3892     58.2107     117.611      
1 1 1 22 4  28 o 0 12.6   11.3  ?    ?   178.066  44.6106      68.5924    44.6106      37.9608     -135.389     
1 1 1 22 4  29 o 0 41.2   12.4  ?    ?   341.565  -72.8325     156.304    -72.8325     27.398      107.168      
1 1 1 22 5  0  o 0 114.3  15    ?    ?   267.925  -180         290.991    180          119.494     180          
1 1 1 22 5  1  o 0 138.2  15.1  ?    ?   381.149  -76.9354     365.663    -76.9354     121.143     -76.9354     
1 1 1 22 5  2  o 0 5.5    7     ?    ?   161.911  -118.189     51.4518    61.8109      155.492     61.8109      
1 1 1 22 5  3  o 0 33.8   6.7   ?    ?   164.031  153.668      101.871    153.668      3.64101     -26.3323     
1 1 1 22 5  4  o 0 573.7  43.7  ?    ?   843.752  -165.731     777.691    -165.731     245.614     -165.731     
1 1 1 22 5  5  o 0 29.7   8.2   ?    ?   211.614  111.022      91.604     111.022      41.8374     -68.9776     
1 1 1 22 5  6  o 0 120.8  11.9  ?    ?   452.824  -61.4348     295.524    -61.4348     10.1249     -61.4348     
1 1 1 22 5  7  o 0 14.5   6.9   ?    ?   129.736  -74.0609     8.20013    -74.0609     73.4884     105.939      
1 1 1 22 5  8  o 0 118.3  11.6  ?    ?   492.974  -32.1072     265.877    -32.1072     44.0881     147.893      
1 1 1 22 5  9  o 0 569.3  40.5  ?    ?   842.847  136.735      769.299    136.735      240.31      136.735      
1 1 1 22 5  10 o 0 45.2   7.6   ?    ?   384.459  113.868      109.572    113.868      118.328     -66.1324     
1 1 1 22 5  11 o 0 149.1  15.1  ?    ?   426.066  112.607      390.347    112.607      138.44      112.607      
1 1 1 22 5  12 o 0 37.1   8.8   ?    ?   235.893  -34.0138     135.085    -34.0138     3.96921     145.986      
1 1 1 22 5  13 o 0 340.6  27.8  ?    ?   751.714  -3.03233     545.464    -3.03233     103.827     -3.03233     
1 1 1 22 5  14 f 1 44.9   9.5   ?    ?   381.815  134.868      117.411    134.868      97.6473     -45.1321     
1 1 1 22 5  15 o 0 54.9   10.5  ?    ?   230.207  128.333      217.492    128.333      88.0236     128.333      
1 1 1 22 5  16 o 0 311.9  29.4  ?    ?   690.802  117.731      539.12     117.731      152.345     117.731      
1 1 1 22 5  17 o 0 272.7  26.5  ?    ?   617.705  -136.336     522.891    -136.336     183.487     -136.336     
1 1 1 22 5  18 o 0 76.2   14.3  ?    ?   201.746  -88.7174     297.498    -88.7174     187.225     -88.7174     
1 1 1 22 5  19 f 1 36.2   8.7   ?    ?   206.927  -147.751     154.66     -147.751     37.3002     -147.751     
1 1 1 22 5  20 o 0 54.3   10.8  ?    ?   193.296  -55.2492     283.527    -55.2492     147.946     -55.2492     
1 1 1 22 5  21 o 0 43     9.1   ?    ?   337.117  -103.244     156.565    -103.244     83.0993     76.7563      
1 1 1 22 5  22 o 0 45.7   9.5   ?    ?   283.524  96.9006      202.446    96.9006      1.82756     96.9006      
1 1 1 22 5  23 o 0 -4.7   8.7   ?    ?   93.1039  43.4524      15.5651    -136.548     80.9622     -136.548     
1 1 1 22 5  24 o 0 4.8    8.5   ?    ?   123.802  -97.5247     16.8247    -97.5247     67.5832     82.4753      
1 1 1 22 5  25 f 1 6.8    9.9   ?    ?   154.316  -158.52      31.3484    -158.52      69.8548     21.4799      
1 1 1 22 5  26 o 0 35.7   10.7  ?    ?   191.94   150.731      191.621    150.731      66.521      150.731      
1 1 1 22 5  27 o 0 23.9   9.5   ?    ?   99.0667  -28.6209     151.592    -28.6209     88.3446     -28.6209     
1 1 1 22 5  28 f 1 -17    10.1  ?    ?   39.5836  30.114       0.318045   -149.886     23.8743     -149.886     
1 1 1 22 5  29 o 0 18     11.5  ?    ?   192.977  112.55       97.4469    112.55       6.04911     -67.4504     
1 1 1 22 6  0  o 0 191.1  19.9  ?    ?   270.01   180          379.114    180          210.791     -180         
1 1 1 22 6  1  o 0 431.1  30.8  ?    ?   755.325  156.094      652.878    156.094      180.931     156.094      
1 1 1 22 6  2  o 0 37.6   7.8   ?    ?   180.149  152.689      135.045    152.689      22.2942     152.689      
1 1 1 22 6  3  o 0 96.2   10    ?    ?   364.968  117.576      275.624    117.576      46.9471     117.576      
1 1 1 22 6  4  o 0 127.2  11.9  ?    ?   492.026  -61.7066     288.007    -61.7066     20.4539     118.293      
1 1 1 22 6  5  o 0 83     9.1   ?    ?   576.808  -124.611     119.091    -124.611     242.538     55.3894      
1 1 1 22 6  6  o 0 40     7.2   ?    ?   146.477  106.645      144.494    106.645      52.7003     106.645      
1 1 1 22 6  7  o 0 56.5   8.5   ?    ?   154.273  107.263      213.623    107.263      117.029     107.263      
1 1 1 22 6  8  o 0 285    24.8  ?    ?   592.569  -0.141195    535.326    -0.141195    164.794     -0.141195    
1 1 1 22 6  9  o 0 406.2  31.6  ?    ?   850.773  -64.4465     587.645    -64.4465     84.9413     -64.4465     
1 1 1 22 6  10 o 0 50.1   9     ?    ?   370.511  149.595      134.649    149.595      83.8135     -30.4051     
1 1 1 22 6  11 o 0 32.4   7.7   ?    ?   133.541  155.312      120.073    155.312      41.5308     155.312      
1 1 1 22 6  12 o 0 56.8   9     ?    ?   471.295  -113.852     107.757    -113.852     168.637     66.1482      
1 1 1 22 6  13 o 0 655.5  61.4  ?    ?   1208.39  -3.57597     667.402    -3.57597     14.081      176.424      
1 1 1 22 6  14 o 0 25.4   10.5  ?    ?   225.34   41.5552      78.4276    41.5552      48.1963     -138.445     
1 1 1 22 6  15 o 0 -12.7  9.3   ?    ?   66.857   62.0989      22.9266    -117.901     60.3455     -117.901     
1 1 1 22 6  16 o 0 5.4    10.4  ?    ?   101.824  -105.909     3.33717    -105.909     52.6175     74.0909      
1 1 1 22 6  17 o 0 90.3   15.3  ?    ?   386.143  53.5692      265.065    53.5692      53.8745     53.5692      
1 1 1 22 6  18 o 0 56.2   12.9  ?    ?   194.546  -134.243     235.277    -134.243     124.531     -134.243     
1 1 1 22 6  19 o 0 24     8     ?    ?   159.367  -177.444     122.318    -177.444     10.3532     -177.444     
1 1 1 22 6  20 o 0 58.4   10.1  ?    ?   246.769  117.311      282.55     117.311      106.737     117.311      
1 1 1 22 6  21 o 0 141.1  14.3  ?    ?   550.266  142.121      359.813    142.121      29.7466     -37.8793     
1 1 1 22 6  22 o 0 29.9   9     ?    ?   272.532  95.0655      122.096    95.0655      69.9581     -84.9345     
1 1 1 22 6  23 o 0 17.5   9.5   ?    ?   236.088  -45.8466     49.938     -45.8466     115.235     134.153      
1 1 1 22 6  24 o 0 -6.8   9.1   ?    ?   56.2317  167.049      5.57262    -12.9512     43.7635     -12.9512     
1 1 1 22 6  25 o 0 4.6    9.4   ?    ?   29.0916  -98.6289     12.9095    -98.6289     6.14701     81.3711      
1 1 1 22 6  26 o 0 4.6    9     ?    ?   124.991  54.2603      29.9706    54.2603      50.2795     -125.74      
1 1 1 22 6  27 o 0 27.5   10    ?    ?   121.375  3.45204      168.716    3.45204      91.4989     3.45204      
1 1 1 22 6  28 o 0 9.2    11.1  ?    ?   83.9263  -42.7365     65.8925    -42.7365     15.9893     -42.7365     
1 1 1 22 6  29 o 0 22.8   14    ?    ?   168.845  42.7242      123.219    42.7242      32.9631     42.7242      
1 1 1 22 7  0  f 1 369.8  41.3  ?    ?   563.477  -5.53768e-14 521.57     0            173.53      1.11066e-13  
1 1 1 22 7  1  o 0 192.7  15.3  ?    ?   472.508  -18.0646     438.817    -18.0646     145.52      -18.0646     
1 1 1 22 7  2  o 0 33.4   7.6   ?    ?   162.863  -107.963     114.189    -107.963     12.9186     -107.963     
1 1 1 22 7  3  o 0 -3     6.9   ?    ?   216.887  -57.4501     93.6458    122.55       228.669     122.55       
1 1 1 22 7  4  f 1 56.2   7.7   ?    ?   333.514  -16.9667     161.998    -16.9667     45.2333     163.033      
1 1 1 22 7  5  o 0 60.3   7.9   ?    ?   278.658  141.925      201.253    141.925      27.6362     141.925      
1 1 1 22 7  6  o 0 30.8   7.8   ?    ?   160.684  178.751      101.108    178.751      1.02837     178.751      
1 1 1 22 7  7  o 0 38.9   7.5   ?    ?   203.099  37.6012      137.515    37.6012      11.1169     37.6012      
1 1 1 22 7  8  o 0 126.1  12.1  ?    ?   540.801  143.031      274.844    143.031      43.3589     -36.9693     
1 1 1 22 7  9  o 0 333.2  27.2  ?    ?   725.903  161.581      551.493    161.581      125.072     161.581      
1 1 1 22 7  10 o 0 226    20.9  ?    ?   619.292  -87.6167     436.056    -87.6167     72.996      -87.6167     
1 1 1 22 7  11 o 0 47.7   9.4   ?    ?   234.501  -83.5254     179.766    -83.5254     42.6198     -83.5254     
1 1 1 22 7  12 o 0 354.9  28.9  ?    ?   763.569  -120.494     572.229    -120.494     142.586     -120.494     
1 1 1 22 7  13 o 0 67.3   11.5  ?    ?   514.612  127.317      131.222    127.317      157.429     -52.6831     
1 1 1 22 7  14 o 0 49.4   9.3   ?    ?   225.734  39.1905      196.787    39.1905      70.6145     39.1905      
1 1 1 22 7  15 o 0 76.2   12.7  ?    ?   217.602  -12.0454     297.314    -12.0454     177.84      -12.0454     
1 1 1 22 7  16 o 0 58.8   15    ?    ?   367.503  -6.97618     173.257    -6.97618     27.6641     173.024      
1 1 1 22 7  17 o 0 34.5   11.4  ?    ?   205.58   144.846      134.514    144.846      22.6393     144.846      
1 1 1 22 7  18 o 0 124.8  17.1  ?    ?   446.031  -161.462     312.241    -161.462     59.579      -161.462     
1 1 1 22 7  19 o 0 16.3   8.1   ?    ?   35.3704  -75.988      28.2386    -75.988      3.50782     -75.988      
1 1 1 22 7  20 o 0 -8.2   8     ?    ?   32.8638  32.8115      9.86114    -147.189     33.1655     -147.189     
1 1 1 22 7  21 o 0 24.4   9.3   ?    ?   129.151  -12.8286     135.456    -12.8286     44.4433     -12.8286     
1 1 1 22 7  22 o 0 10.2   8     ?    ?   129.96   98.046       38.4583    98.046       52.7151     -81.954      
1 1 1 22 7  23 o 0 15.8   8.4   ?    ?   106.368  62.776       86.7175    62.776       14.2358     62.776       
1 1 1 22 7  24 o 0 16     8.8   ?    ?   158.756  126.852      78.6305    126.852      28.7311     -53.1481     
1 1 1 22 7  25 o 0 16.1   8.6   ?    ?   91.5078  63.1647      89.9516    63.1647      30.2592     63.1647      
1 1 1 22 7  26 o 0 74.4   12.3  ?    ?   286.073  -11.6015     318.225    -11.6015     135.299     -11.6015     
1 1 1 22 7  27 o 0 0.5    11.5  ?    ?   91.2104  59.8611      40.05      59.8611      14.4957     -120.139     
1 1 1 22 7  28 o 0 12.4   10.8  ?    ?   3.13725  48.3671      6.70357    48.3671      5.01584     48.3671      
1 1 1 22 7  29 o 0 15.2   10.9  ?    ?   122.168  80.0625      107.87     80.0625      42.8092     80.0625      
1 1 1 22 8  0  o 0 36     12    ?    ?   476.063  180          151.371    180          141.324     5.00325e-15  
1 1 1 22 8  1  o 0 112.8  11.9  ?    ?   455.626  7.53015      267.04     7.53015      13.7796     -172.47      
1 1 1 22 8  2  o 0 90.2   10.4  ?    ?   330.922  -26.733      271.031    -26.733      66.6928     -26.733      
1 1 1 22 8  3  o 0 36.5   7.1   ?    ?   278.097  76.0521      103.434    76.0521      68.5075     -103.948     
1 1 1 22 8  4  o 0 223.5  18.8  ?    ?   457.115  42.5676      503.026    42.5676      220.189     42.5676      
1 1 1 22 8  5  o 0 34.4   7.5   ?    ?   254.404  150.063      101.877    150.063      55.5739     -29.9366     
1 1 1 22 8  6  o 0 -9.9   6.8   ?    ?   115.468  72.3072      50.9109    -107.693     118.542     -107.693     
1 1 1 22 8  7  o 0 36.4   7.6   ?    ?   244.235  -151.221     129.04     -151.221     13.9141     28.779       
1 1 1 22 8  8  o 0 98.3   10.9  ?    ?   423.398  65.1073      263.084    65.1073      15.5367     65.1073      
1 1 1 22 8  9  o 0 183.5  15.4  ?    ?   528.81   173.752      404.732    173.752      96.02       173.752      
1 1 1 22 8  10 o 0 40.6   8.2   ?    ?   161.055  -114.354     160.466    -114.354     66.6233     -114.354     
1 1 1 22 8  11 o 0 46.8   8.7   ?    ?   431.633  -179.579     100.339    -179.579     141.746     0.420984     
1 1 1 22 8  12 o 0 10.8   10.8  ?    ?   212.553  -52.5598     2.08388    -52.5598     116.811     127.44       
1 1 1 22 8  13 f 1 32.6   9.9   ?    ?   90.2468  100.472      107.536    100.472      57.3373     100.472      
1 1 1 22 8  14 o 0 -10.6  9.2   ?    ?   92.5103  -19.7953     27.2412    160.205      77.9427     160.205      
1 1 1 22 8  15 o 0 5.1    10.8  ?    ?   92.5392  143.126      4.0914     143.126      46.4345     -36.874      
1 1 1 22 8  16 o 0 29.7   11.4  ?    ?   112.829  119.592      109.067    119.592      47.7182     119.592      
1 1 1 22 8  17 o 0 49.3   11.3  ?    ?   307.164  118.968      164.111    118.968      9.82489     -61.0318     
1 1 1 22 8  18 o 0 8.8    10.4  ?    ?   200.083  76.9946      4.72935    76.9946      135.187     -103.005     
1 1 1 22 8  19 o 0 8.5    9.7   ?    ?   26.5248  -155.355     12.5925    -155.355     6.22898     24.6453      
1 1 1 22 8  20 o 0 2.9    8.1   ?    ?   35.7254  -111.043     1.94066    -111.043     23.2646     68.9569      
1 1 1 22 8  21 o 0 3      9.1   ?    ?   67.786   9.94119      9.86335    9.94119      37.7726     -170.059     
1 1 1 22 8  22 o 0 91     11.1  ?    ?   266.901  -100.154     387.771    -100.154     201.44      -100.154     
1 1 1 22 8  23 o 0 -0.7   8.6   ?    ?   166.651  97.3706      18.9997    -82.6294     132.017     -82.6294     
1 1 1 22 8  24 o 0 6.8    9.8   ?    ?   211.778  -41.251      6.97113    -41.251      131.643     138.749      
1 1 1 22 8  25 o 0 -3.8   9.7   ?    ?   67.2502  88.2434      3.5415     88.2434      40.1263     -91.7566     
1 1 1 22 8  26 o 0 104.2  12.2  ?    ?   365.918  97.0469      370.728    97.0469      137.794     97.0469      
1 1 1 22 8  27 o 0 0.1    9.2   ?    ?   97.5234  -92.3751     23.8934    -92.3751     34.1721     87.6249      
1 1 1 22 8  28 f 1 11.9   10.6  ?    ?   134.012  -150.516     88.0065    -150.516     16.4059     -150.516     
1 1 1 22 9  0  o 0 552.3  73.2  ?    ?   860.191  180          619.135    180          94.3159     -180         
1 1 1 22 9  1  o 0 14.3   8     ?    ?   63.5525  -45.6408     6.84096    -45.6408     32.0332     134.359      
1 1 1 22 9  2  o 0 61.3   8.8   ?    ?   206.557  47.1527      223.924    47.1527      97.3274     47.1527      
1 1 1 22 9  3  o 0 11.1   6.6   ?    ?   199.619  -26.5563     12.8144    153.444      128.788     153.444      
1 1 1 22 9  4  o 0 184.4  15.3  ?    ?   836.318  40.3456      234.993    40.3456      251.309     -139.654     
1 1 1 22 9  5  o 0 99.1   10.3  ?    ?   405.518  -20.6478     273.256    -20.6478     37.3676     -20.6478     
1 1 1 22 9  6  o 0 45.7   8.8   ?    ?   12.5368  159.527      26.8693    159.527      19.5775     159.527      
1 1 1 22 9  7  f 1 41.5   8     ?    ?   176.682  -123.705     164.844    -123.705     62.4002     -123.705     
1 1 1 22 9  8  o 0 60     8.6   ?    ?   372.538  -62.7936     168.444    -62.7936     47.9055     117.206      
1 1 1 22 9  9  o 0 218    20.6  ?    ?   710.939  44.2287      364.493    44.2287      47.8075     -135.771     
1 1 1 22 9  10 o 0 80.3   12.8  ?    ?   250.666  103.019      293.625    103.019      153.626     103.019      
1 1 1 22 9  11 o 0 18.9   9.5   ?    ?   205.166  106.78       45.3767    106.78       68.961      -73.2202     
1 1 1 22 9  12 o 0 124.5  14.3  ?    ?   408.39   64.0123      341.327    64.0123      114.315     64.0123      
1 1 1 22 9  13 o 0 176.2  18.8  ?    ?   634.02   -125.88      342.844    -125.88      3.68438     54.1205      
1 1 1 22 9  14 o 0 0.5    10.2  ?    ?   66.9301  -162.005     5.12888    17.9945      41.5895     17.9945      
1 1 1 22 9  15 o 0 25.7   10.5  ?    ?   123.431  -179.057     93.1168    -179.057     26.1237     -179.057     
1 1 1 22 9  16 o 0 7.2    13.7  ?    ?   302.718  -123.221     27.2418    56.7795      198.436     56.7795      
1 1 1 22 9  17 o 0 53.3   16.6  ?    ?   279.7    -10.7871     215.699    -10.7871     20.2669     -10.7871     
1 1 1 22 9  18 o 0 30.3   9.7   ?    ?   166.227  116.213      169.57     116.213      51.6571     116.213      
1 1 1 22 9  19 o 0 -2     8.5   ?    ?   113.761  53.4085      18.5136    -126.592     98.7891     -126.592     
1 1 1 22 9  20 o 0 11.3   9.1   ?    ?   25.8643  -175.309     19.3105    -175.309     1.12199     -175.309     
1 1 1 22 9  21 o 0 59.2   11    ?    ?   348.254  150.248      217.446    150.248      25.9766     -29.7524     
1 1 1 22 9  22 o 0 35.1   10.4  ?    ?   183.324  -66.8885     198.782    -66.8885     74.2383     -66.8885     
1 1 1 22 9  23 o 0 19.7   9.7   ?    ?   164.119  15.6847      100.227    15.6847      10.4982     -164.315     
1 1 1 22 9  24 o 0 30.7   9.1   ?    ?   213.653  -41.0523     163.787    -41.0523     24.6545     -41.0523     
1 1 1 22 9  25 o 0 102    12    ?    ?   413.982  -0.651136    338.357    -0.651136    73.9123     -0.651136    
1 1 1 22 9  26 o 0 -1.4   8.7   ?    ?   76.135   41.6061      18.1263    41.6061      27.3888     -138.394     
1 1 1 22 9  27 o 0 32.4   10.9  ?    ?   194.846  -163.311     171.15     -163.311     55.6957     -163.311     
1 1 1 22 9  28 o 0 -13.2  10.9  ?    ?   88.9547  71.7304      19.0457    71.7304      28.3798     -108.27      
1 1 1 22 10 0  o 0 16     12.5  ?    ?   211.863  -180         55.3524    180          66.0091     3.58942e-14  
1 1 1 22 10 1  o 0 424.1  36.3  ?    ?   982.746  -158.488     516.488    -158.488     47.9752     21.5123      
1 1 1 22 10 2  o 0 63.9   9.2   ?    ?   322.276  69.3359      203.709    69.3359      18.2139     69.3359      
1 1 1 22 10 3  o 0 127.7  11.8  ?    ?   427.396  -100.903     332.349    -100.903     85.9694     -100.903     
1 1 1 22 10 4  o 0 432.7  31.4  ?    ?   793.021  146.693      640.966    146.693      183.355     146.693      
1 1 1 22 10 5  o 0 98.6   10.3  ?    ?   436.516  -20.9183     254.106    -20.9183     2.08671     -20.9183     
1 1 1 22 10 6  o 0 51.9   9.4   ?    ?   341.118  -54.9584     151.843    -54.9584     45.1045     125.042      
1 1 1 22 10 7  o 0 8.6    8.1   ?    ?   96.217   10.3722      5.08164    -169.628     60.6102     -169.628     
1 1 1 22 10 8  o 0 146    13.2  ?    ?   532.134  -81.7646     331.642    -81.7646     35.608      -81.7646     
1 1 1 22 10 9  f 1 3      8.2   ?    ?   196.649  -5.23751     39.0574    174.762      148.037     174.762      
1 1 1 22 10 10 o 0 23.6   7.9   ?    ?   256.186  48.9777      61.9422    48.9777      80.1604     -131.022     
1 1 1 22 10 11 o 0 11.2   7.5   ?    ?   101.514  46.0246      8.78679    46.0246      47.4061     -133.975     
1 1 1 22 10 12 o 0 51.8   8.8   ?    ?   322.212  28.0016      174.745    28.0016      0.711508    -151.998     
1 1 1 22 10 13 o 0 12.2   8.2   ?    ?   59.8022  91.0071      15.7043    91.0071      16.7687     -88.9929     
1 1 1 22 10 14 o 0 11.4   9     ?    ?   234.037  -69.3211     0.354055   -69.3211     126.324     110.679      
1 1 1 22 10 15 o 0 -9.1   10.2  ?    ?   94.4961  -21.1894     20.4799    158.811      73.7994     158.811      
1 1 1 22 10 16 f 1 18.3   13.3  ?    ?   232.601  -26.4219     53.4696    -26.4219     108.349     153.578      
1 1 1 22 10 17 o 0 24.3   14.4  ?    ?   154.557  32.1278      123.703    32.1278      14.2082     32.1278      
1 1 1 22 10 18 o 0 2.9    8.3   ?    ?   45.8285  128.496      2.8742     128.496      29.4394     -51.5041     
1 1 1 22 10 19 o 0 17.5   8.5   ?    ?   18.5471  -110.397     26.1189    -110.397     13.0798     -110.397     
1 1 1 22 10 20 o 0 1.3    10.1  ?    ?   98.7293  20.423       8.37879    20.423       60.6469     -159.577     
1 1 1 22 10 21 o 0 -0.2   10.3  ?    ?   117.055  103.32       8.14971    103.32       71.433      -76.6801     
1 1 1 22 10 22 f 1 27.7   8.5   ?    ?   291.407  77.5101      101.53     77.5101      94.819      -102.49      
1 1 1 22 10 23 o 0 29.4   9.8   ?    ?   215.497  -101.734     147.104    -101.734     6.51378     -101.734     
1 1 1 22 10 24 f 1 9.7    8.3   ?    ?   195.026  116.322      31.1444    116.322      93.4127     -63.6775     
1 1 1 22 10 25 o 0 -5.9   9.2   ?    ?   36.2938  114.447      2.04341    114.447      21.0157     -65.5528     
1 1 1 22 10 26 o 0 5.4    8.3   ?    ?   229.787  -81.7363     2.41168    98.2637      139.056     98.2637      
1 1 1 22 10 27 o 0 18.3   10.3  ?    ?   129.484  -46.9836     123.608    -46.9836     54.2867     -46.9836     
1 1 1 22 11 0  o 0 179.1  23.8  ?    ?   323.431  -1.49218e-14 350.764    0            167.089     1.64029e-14  
1 1 1 22 11 1  o 0 277.3  23    ?    ?   523.678  142.015      558.743    142.015      260.505     142.015      
1 1 1 22 11 2  o 0 256.6  21.3  ?    ?   499.144  162.348      539.674    162.348      254.771     162.348      
1 1 1 22 11 3  f 1 181.9  16.1  ?    ?   331.209  -138.245     490.952    -138.245     302.071     -138.245     
1 1 1 22 11 4  o 0 66.7   9.4   ?    ?   459.539  138.334      144.962    138.334      118.081     -41.6664     
1 1 1 22 11 5  o 0 22.1   8.6   ?    ?   208.171  93.3523      64.6328    93.3523      50.4036     -86.6477     
1 1 1 22 11 6  o 0 59     9.2   ?    ?   279.231  -118.804     212.823    -118.804     58.4912     -118.804     
1 1 1 22 11 7  o 0 36     8.5   ?    ?   357.733  -111.354     88.0126    -111.354     109.652     68.6459      
1 1 1 22 11 8  o 0 63.1   10    ?    ?   311.602  -48.4379     212.908    -48.438      40.856      -48.438      
1 1 1 22 11 9  o 0 16.6   7.8   ?    ?   111.97   -130.877     35.694     -130.877     26.0605     49.1229      
1 1 1 22 11 10 o 0 45.7   8.8   ?    ?   212.501  86.2023      191.289    86.2023      75.8914     86.2023      
1 1 1 22 11 11 o 0 97.3   11.9  ?    ?   504.24   -51.9224     228.552    -51.9224     44.7444     128.078      
1 1 1 22 11 12 o 0 32.7   8.1   ?    ?   304.574  85.4856      101.124    85.4856      63.5711     -94.5144     
1 1 1 22 11 13 o 0 80.8   11.6  ?    ?   433.507  -132.22      214.565    -132.22      19.2168     47.7796      
1 1 1 22 11 14 o 0 124.2  13.6  ?    ?   557.284  -144.282     254.534    -144.282     58.9079     35.7175      
1 1 1 22 11 15 o 0 1.9    8.3   ?    ?   40.1428  139.347      3.73145    -40.6525     31.6543     -40.6525     
1 1 1 22 11 16 o 0 44.6   9.7   ?    ?   284.555  129.099      194.876    129.099      6.26506     -50.9009     
1 1 1 22 11 17 o 0 107.1  12.4  ?    ?   327.21   -134.026     406.542    -134.026     176.229     -134.026     
1 1 1 22 11 18 o 0 81.2   11    ?    ?   413.91   -13.0326     263.843    -13.0326     26.7849     166.967      
1 1 1 22 11 19 o 0 1.5    8.1   ?    ?   128.765  -32.2668     8.79853    147.733      98.7559     147.733      
1 1 1 22 11 20 o 0 28.9   8.8   ?    ?   67.4024  -16.7057     164.1      -16.7057     118.286     -16.7057     
1 1 1 22 11 21 o 0 73     11.2  ?    ?   453.059  -19.0202     209.346    -19.0202     96.798      160.98       
1 1 1 22 11 22 o 0 8.8    9.2   ?    ?   162.789  156.114      35.3699    156.114      70.921      -23.886      
1 1 1 22 11 23 o 0 2.5    8.9   ?    ?   72.6666  -136.786     15.5992    -136.786     31.5271     43.2136      
1 1 1 22 11 24 o 0 2.2    8.3   ?    ?   138.424  84.0805      10.4352    84.0805      77.6804     -95.9195     
1 1 1 22 11 25 f 1 15.6   9.8   ?    ?   149.787  175.73       92.5835    175.73       3.52004     175.73       
1 1 1 22 11 26 o 0 65.6   12    ?    ?   433.952  -104.526     226.688    -104.526     6.3483      75.4738      
1 1 1 22 12 1  o 0 62.3   15.3  ?    ?   230.19   33.225       232.365    33.225       107.019     33.225       
1 1 1 22 12 2  o 0 64     12.5  ?    ?   404.449  158.371      169.815    158.371      50.9499     -21.6292     
1 1 1 22 12 3  o 0 17.8   8.4   ?    ?   184.15   150.35       42.0243    150.35       58.6781     -29.6505     
1 1 1 22 12 4  o 0 72.6   11.3  ?    ?   204.722  -131.248     278.67     -131.248     166.571     -131.248     
1 1 1 22 12 5  o 0 304.6  26.5  ?    ?   926.12   76.4823      397.603    76.4823      109.921     -103.518     
1 1 1 22 12 6  o 0 12     7.7   ?    ?   132.582  -33.3641     12.2206    -33.3641     60.46       146.636      
1 1 1 22 12 7  o 0 98.6   11.8  ?    ?   256.2    48.042       338.134    48.042       197.705     48.042       
1 1 1 22 12 8  o 0 108.7  12.6  ?    ?   407.558  110.616      304.749    110.616      84.5814     110.616      
1 1 1 22 12 9  o 0 69.4   9.2   ?    ?   299.771  -103.407     243.546    -103.407     81.7668     -103.407     
1 1 1 22 12 10 o 0 39.7   8.3   ?    ?   332.95   -137.42      120.155    -137.42      59.2784     42.5798      
1 1 1 22 12 11 o 0 -12.4  7.4   ?    ?   27.0737  -30.03       9.91852    149.97       24.4828     149.97       
1 1 1 22 12 12 o 0 267    21.9  ?    ?   769.752  -154.763     408.784    -154.763     23.4722     25.2374      
1 1 1 22 12 13 o 0 139.6  13.2  ?    ?   505.352  79.2369      393.249    79.2369      41.9812     79.2369      
1 1 1 22 12 14 o 0 67.4   10.6  ?    ?   437.074  50.0072      200.56     50.0072      102.346     -129.993     
1 1 1 22 12 15 o 0 -8.5   10.1  ?    ?   101.482  -98.1326     20.4757    81.8674      91.9807     81.8674      
1 1 1 22 12 16 o 0 39.6   9.8   ?    ?   211.586  114.566      207.491    114.566      58.9647     114.566      
1 1 1 22 12 17 f 1 14.3   8.2   ?    ?   219.128  94.4016      37.917     94.4016      115.21      -85.5984     
1 1 1 22 12 18 o 0 24.9   7.8   ?    ?   231.696  -171.632     114.87     -171.632     46.7195     8.36819      
1 1 1 22 12 19 o 0 0.6    7.5   ?    ?   117.89   71.1209      7.33762    -108.879     87.372      -108.879     
1 1 1 22 12 20 o 0 32.4   8.8   ?    ?   268.815  -138.476     142.409    -138.476     39.1088     41.5237      
1 1 1 22 12 21 f 1 15.2   9.5   ?    ?   261.668  43.1708      29.1301    43.1708      141.252     -136.829     
1 1 1 22 12 22 o 0 24.3   10    ?    ?   199.732  -11.8923     118.824    -11.8923     10.7522     168.108      
1 1 1 22 12 23 o 0 4.9    8.9   ?    ?   79.7354  -96.6686     32.3963    -96.6686     18.4055     83.3314      
1 1 1 22 12 24 o 0 7.2    8.7   ?    ?   102.197  138.788      53.1166    138.788      7.89471     -41.2121     
1 1 1 22 12 25 o 0 12.6   9.3   ?    ?   190.766  138.554      72.9526    138.554      29.6959     -41.4459     
1 1 1 22 12 26 o 0 41.4   9.8   ?    ?   272.086  -113.889     209.17     -113.889     63.9489     -113.889     
1 1 1 22 13 0  o 0 52.4   17.2  ?    ?   152.387  8.98095e-14  146.664    0            64.723      -1.13702e-13 
1 1 1 22 13 1  o 0 -20.3  10.3  ?    ?   113.14   -35.9521     40.0962    144.048      101.126     144.048      
1 1 1 22 13 2  f 1 44.2   11.3  ?    ?   166.509  -21.1826     176.294    -21.1826     86.4773     -21.1826     
1 1 1 22 13 3  o 0 2.5    8.9   ?    ?   52.1501  47.7891      6.86861    -132.211     35.1284     -132.211     
1 1 1 22 13 4  f 1 93     11.7  ?    ?   437.866  -83.3106     240.828    -83.3106     3.81045     -83.3106     
1 1 1 22 13 5  o 0 43.1   7.9   ?    ?   244.961  123.557      169.048    123.557      37.8247     123.557      
1 1 1 22 13 6  o 0 32.6   7.6   ?    ?   158.692  44.3628      140.612    44.3628      55.561      44.3628      
1 1 1 22 13 7  o 0 78.7   11.1  ?    ?   473.61   96.0786      188.718    96.0786      65.1219     -83.9214     
1 1 1 22 13 8  o 0 16.5   7.4   ?    ?   239.57   -150.587     29.3283    -150.587     99.0203     29.413       
1 1 1 22 13 9  o 0 342    30.1  ?    ?   868.909  -123.735     479.407    -123.735     14.2877     -123.735     
1 1 1 22 13 10 o 0 21.9   7.7   ?    ?   67.8372  70.8943      65.8327    70.8943      27.8913     70.8943      
1 1 1 22 13 11 o 0 68.5   9.1   ?    ?   246.706  126.517      258.105    126.517      120.353     126.517      
1 1 1 22 13 12 o 0 13.8   6.9   ?    ?   181.925  -17.2963     36.908     -17.2963     88.8943     162.704      
1 1 1 22 13 13 o 0 158.7  17.2  ?    ?   555.296  55.8851      397.356    55.8851      6.60217     55.8851      
1 1 1 22 13 14 o 0 98.3   12.7  ?    ?   400.316  41.7824      329.543    41.7824      48.6511     41.7824      
1 1 1 22 13 15 o 0 36     9.4   ?    ?   130.856  -24.8792     214.195    -24.8792     122.675     -24.8792     
1 1 1 22 13 16 o 0 63.3   9.6   ?    ?   221.853  49.6362      312.921    49.6362      157.984     49.6362      
1 1 1 22 13 17 o 0 53.5   9.3   ?    ?   252.038  109.928      253.402    109.928      78.096      109.928      
1 1 1 22 13 18 o 0 92.5   11.2  ?    ?   387.52   -108.576     321.278    -108.576     58.768      -108.576     
1 1 1 22 13 19 o 0 24     8.2   ?    ?   168.995  95.7117      136.05     95.7117      22.1267     95.7117      
1 1 1 22 13 20 o 0 47.7   8.5   ?    ?   247.083  -134.158     237.85     -134.158     76.7381     -134.158     
1 1 1 22 13 21 o 0 -0.8   8.2   ?    ?   165.328  74.924       17.5214    -105.076     124.709     -105.076     
1 1 1 22 13 22 o 0 210.2  18    ?    ?   612.387  29.777       480.955    29.777       90.8335     29.777       
1 1 1 22 13 23 o 0 32.7   9.4   ?    ?   147.383  -66.1477     213.159    -66.1477     125.135     -66.1477     
1 1 1 22 13 24 o 0 -1.4   9     ?    ?   53.7253  -16.3414     15.6875    -16.3414     16.1728     163.659      
1 1 1 22 13 25 o 0 3.5    8.7   ?    ?   163.582  -73.643      34.0832    -73.643      53.359      106.357      
1 1 1 22 14 0  o 0 21     16.3  ?    ?   31.9597  180          14.4852    180          2.29166     -2.53372e-12 
1 1 1 22 14 1  o 0 38.1   12.1  ?    ?   278.334  -71.8842     123.651    -71.8842     22.9444     108.116      
1 1 1 22 14 2  o 0 18.8   10    ?    ?   157.894  179.671      57.2843    179.671      26.1051     -0.329249    
1 1 1 22 14 3  o 0 18     8.3   ?    ?   98.3781  -83.9187     48.2389    -83.9187     3.83199     96.0813      
1 1 1 22 14 4  o 0 31     9     ?    ?   82.8282  123.462      105.024    123.462      61.1108     123.462      
1 1 1 22 14 5  o 0 18.4   6.9   ?    ?   234.55   85.4209      43.6661    85.4209      80.828      -94.5791     
1 1 1 22 14 6  o 0 19.6   8.2   ?    ?   220.967  -95.3727     52.6529    -95.3727     64.7088     84.6273      
1 1 1 22 14 7  o 0 13.6   7.2   ?    ?   111.584  -120.724     35.8578    -120.724     26.1562     59.2764      
1 1 1 22 14 8  o 0 226.4  18.1  ?    ?   563.291  -84.4973     450.499    -84.4973     137.526     -84.4973     
1 1 1 22 14 9  f 1 266.3  24.4  ?    ?   443.728  -153.114     709.962    -153.114     404.999     -153.114     
1 1 1 22 14 10 o 0 38.2   8.3   ?    ?   206.447  82.6015      198.209    82.6015      56.1166     82.6015      
1 1 1 22 14 11 o 0 -0.1   6.8   ?    ?   60.9069  -137.216     15.4749    42.7841      57.3313     42.7841      
1 1 1 22 14 12 o 0 24.1   7.8   ?    ?   217.599  139.795      110.44     139.795      41.8109     -40.205      
1 1 1 22 14 13 o 0 13.2   6.9   ?    ?   171.249  -29.9581     45.7296    -29.9581     73.8107     150.042      
1 1 1 22 14 14 o 0 104.2  12.2  ?    ?   359.91   -9.88378     373.23     -9.88378     122.134     -9.88378     
1 1 1 22 14 15 o 0 1.2    8.7   ?    ?   93.858   -101.548     0.765191   -101.548     64.5103     78.452       
1 1 1 22 14 16 o 0 26.1   9.7   ?    ?   211.143  2.46577      120.98     2.46577      25.344      -177.534     
1 1 1 22 14 17 o 0 42.7   8.6   ?    ?   199.49   -65.3542     235.538    -65.3542     100.828     -65.3542     
1 1 1 22 14 18 o 0 19.8   7.7   ?    ?   44.931   164.71       77.3036    164.71       47.0954     164.71       
1 1 1 22 14 19 o 0 3.6    7.6   ?    ?   136.467  -158.48      7.03567    -158.48      81.7563     21.5204      
1 1 1 22 14 20 f 1 48.1   8.9   ?    ?   351.599  37.5612      177.356    37.5612      49.6363     -142.439     
1 1 1 22 14 21 f 1 58.2   9.2   ?    ?   197.773  -78.3468     309.271    -78.3468     183.744     -78.3468     
1 1 1 22 14 22 o 0 108.3  11.7  ?    ?   375.623  -95.0002     391.417    -95.0002     167.214     -95.0002     
1 1 1 22 14 23 o 0 3.6    8.3   ?    ?   101.916  174.121      31.8213    174.121      28.6139     -5.87912     
1 1 1 22 14 24 o 0 13.1   8.3   ?    ?   168.634  -10.8062     82.4294    -10.8062     7.75721     169.194      
1 1 1 22 15 0  o 0 35.5   18.3  ?    ?   171.247  -9.14785e-14 108.424    0            15.3694     5.53857e-13  
1 1 1 22 15 1  o 0 35.2   9.8   ?    ?   150.911  -124.364     154.437    -124.364     72.1438     -124.364     
1 1 1 22 15 2  f 1 3      8.1   ?    ?   142.7    -73.4971     14.8845    106.503      92.7278     106.503      
1 1 1 22 15 3  o 0 16.9   8.2   ?    ?   97.9183  25.6308      51.2277    25.6308      2.45208     -154.369     
1 1 1 22 15 4  o 0 156.3  15.3  ?    ?   605.277  -20.4283     292.861    -20.4283     39.5684     159.572      
1 1 1 22 15 5  o 0 84.9   10.2  ?    ?   309.944  -136.652     274.897    -136.652     104.444     -136.652     
1 1 1 22 15 6  o 0 6.4    8.2   ?    ?   69.8958  -145.547     5.09527    -145.547     42.648      34.4535      
1 1 1 22 15 7  o 0 4.7    8.4   ?    ?   65.1428  3.45917      0.602294   3.45917      43.9104     -176.541     
1 1 1 22 15 8  o 0 99     12.9  ?    ?   383.887  95.581       340.834    95.581       78.5468     95.581       
1 1 1 22 15 9  o 0 162.3  15.4  ?    ?   496.052  103.259      444.859    103.259      99.3014     103.259      
1 1 1 22 15 10 o 0 1.2    6.8   ?    ?   106.802  170.149      16.9082    -9.85116     91.2359     -9.85116     
1 1 1 22 15 11 o 0 27.1   8.1   ?    ?   190.459  -109.328     146.072    -109.328     13.7097     -109.328     
1 1 1 22 15 12 o 0 31.8   7.7   ?    ?   186.873  -158.258     176.485    -158.258     46.8499     -158.258     
1 1 1 22 15 13 o 0 50.9   9     ?    ?   85.494   93.2605      286.293    93.2605      226.986     93.2605      
1 1 1 22 15 14 f 1 13.4   8.2   ?    ?   77.3905  114.668      55.2808    114.668      1.87456     114.668      
1 1 1 22 15 15 o 0 2.3    9.1   ?    ?   109.775  -131.376     11.3268    -131.376     62.7467     48.6237      
1 1 1 22 15 16 o 0 15.9   7.6   ?    ?   159.576  124.103      80.8157    124.103      26.492      -55.897      
1 1 1 22 15 17 o 0 74.1   9.7   ?    ?   334.668  -42.8988     295.058    -42.8988     77.0637     -42.8988     
1 1 1 22 15 18 o 0 1.6    8     ?    ?   102.285  174.339      7.09272    174.339      59.2486     -5.66114     
1 1 1 22 15 19 o 0 57.5   9     ?    ?   223.009  -141.488     294.919    -141.488     152.584     -141.488     
1 1 1 22 15 20 o 0 3.4    7.5   ?    ?   6.6304   28.2307      2.3711     28.2307      1.83907     -151.769     
1 1 1 22 15 21 o 0 9.6    7.8   ?    ?   145.244  -135.999     56.7975    -135.999     29.7572     44.0015      
1 1 1 22 15 22 o 0 44.9   10    ?    ?   224.83   -127.337     235.139    -127.337     101.962     -127.337     
1 1 1 22 15 23 o 0 6.7    7.8   ?    ?   126.864  -116.251     57.0073    -116.251     10.8032     63.7487      
1 1 1 22 16 0  o 0 21.5   16.1  ?    ?   97.8712  -2.55696e-14 57.5235    0            7.74959     180          
1 1 1 22 16 1  o 0 6.8    8.7   ?    ?   101.253  -104.944     7.19926    -104.944     60.5803     75.0558      
1 1 1 22 16 2  o 0 13.8   9.5   ?    ?   188.942  39.9323      35.0051    39.9323      91.8701     -140.068     
1 1 1 22 16 3  o 0 7.4    7.1   ?    ?   124.539  -88.8048     1.37056    -88.8048     82.4729     91.1952      
1 1 1 22 16 4  f 1 63.6   9.1   ?    ?   102.104  -136.615     317.341    -136.615     248.639     -136.615     
1 1 1 22 16 5  o 0 96.3   10.3  ?    ?   375.192  -65.2051     336.982    -65.2051     78.3944     -65.2051     
1 1 1 22 16 6  o 0 38.1   8.4   ?    ?   262.305  93.9617      172.117    93.9617      8.84981     -86.0383     
1 1 1 22 16 7  o 0 -12.1  7.2   ?    ?   68.5882  13.9595      28.0464    -166.041     75.3914     -166.041     
1 1 1 22 16 8  o 0 52.6   8.4   ?    ?   283.838  129.256      230.338    129.256      34.3976     129.256      
1 1 1 22 16 9  o 0 54.5   8.9   ?    ?   297.215  6.29216      229.745    6.29216      24.6482     6.29216      
1 1 1 22 16 10 o 0 4.9    7.2   ?    ?   189.509  159.936      17.716     -20.0636     148.669     -20.0636     
1 1 1 22 16 11 o 0 -3.1   8.4   ?    ?   114.222  91.1039      18.626     -88.8961     97.4561     -88.8961     
1 1 1 22 16 12 o 0 12.6   8     ?    ?   55.091   -104.258     40.6037    -104.258     2.64663     -104.258     
1 1 1 22 16 13 o 0 76     9.8   ?    ?   267.869  59.613       337.057    59.613       156.888     59.613       
1 1 1 22 16 14 o 0 23.3   7.8   ?    ?   81.1987  159.518      135.556    159.518      81.0784     159.518      
1 1 1 22 16 15 o 0 5.2    7.2   ?    ?   105.024  -8.78757     13.8759    -8.78757     56.3804     171.212      
1 1 1 22 16 16 o 0 19.2   8     ?    ?   98.6503  -169.464     114.78     -169.464     50.8227     -169.464     
1 1 1 22 16 17 o 0 51.3   8.4   ?    ?   345.305  29.9648      196.374    29.9648      26.6539     -150.035     
1 1 1 22 16 18 o 0 32.8   7.8   ?    ?   125.159  -15.0882     218.217    -15.0882     138.628     -15.0882     
1 1 1 22 16 19 o 0 -5.6   7.3   ?    ?   83.2335  169.802      10.692     -10.1979     63.3771     -10.1979     
1 1 1 22 16 20 o 0 11     7.6   ?    ?   179.906  -160.561     51.8098    -160.561     55.1185     19.4394      
1 1 1 22 16 21 o 0 17     8.1   ?    ?   198.147  152.424      99.5473    152.424      6.82948     -27.5759     
1 1 1 22 16 22 o 0 26.4   8.2   ?    ?   248.769  105.121      139.197    105.121      6.43549     105.121      
1 1 1 22 17 0  o 0 39.8   13.3  ?    ?   70.593   1.85668e-13  118.643    0            71.169      -1.23852e-13 
1 1 1 22 17 1  o 0 1.6    8.5   ?    ?   141.682  -174.729     12.5795    5.27109      108.235     5.27109      
1 1 1 22 17 2  o 0 17.3   9.9   ?    ?   168.38   154.827      74.5286    154.827      39.5302     -25.1732     
1 1 1 22 17 3  o 0 0.3    7.7   ?    ?   135.666  130.901      21.7006    -49.0993     113.854     -49.0993     
1 1 1 22 17 4  o 0 134.2  13.4  ?    ?   533.362  -124.78      339.667    -124.78      23.4327     55.2201      
1 1 1 22 17 5  o 0 15.7   6.7   ?    ?   206.964  80.7798      51.8944    80.7798      89.2414     -99.2202     
1 1 1 22 17 6  o 0 15.4   6.5   ?    ?   190.441  93.8469      56.386     93.8469      73.6379     -86.1531     
1 1 1 22 17 7  o 0 15.5   7.1   ?    ?   37.5434  -109.002     41.5368    -109.002     15.8294     -109.002     
1 1 1 22 17 8  o 0 18.4   7.2   ?    ?   222.549  -69.5374     67.6516    -69.5374     84.7732     110.463      
1 1 1 22 17 9  o 0 17.4   8.4   ?    ?   109.615  -68.2748     89.3787    -68.2748     14.3194     -68.2748     
1 1 1 22 17 10 f 1 16     10.7  ?    ?   65.1599  -145.761     63.8744    -145.761     19.4003     -145.761     
1 1 1 22 17 11 o 0 33.1   8.7   ?    ?   207.003  -9.0598      177.937    -9.0598      39.5175     -9.0598      
1 1 1 22 17 12 o 0 58.2   8.1   ?    ?   290.59   -56.6757     255.175    -56.6757     61.1604     -56.6757     
1 1 1 22 17 13 o 0 9.6    7.3   ?    ?   104.227  70.0373      40.6538    70.0373      28.7975     -109.963     
1 1 1 22 17 14 o 0 0.4    7.3   ?    ?   103.54   79.8358      2.42488    -100.164     69.3538     -100.164     
1 1 1 22 17 15 o 0 0      7.5   ?    ?   96.4158  83.9408      1.20103    -96.0592     63.35       -96.0592     
1 1 1 22 17 16 o 0 18.4   7.4   ?    ?   51.6993  -41.1138     93.1633    -41.1138     60.322      -41.1138     
1 1 1 22 17 17 o 0 13.8   7.8   ?    ?   145.363  -127.016     76.4992    -127.016     15.5032     52.984       
1 1 1 22 17 18 o 0 25.5   7.4   ?    ?   242.303  9.75812      134.066    9.75812      10.072      -170.242     
1 1 1 22 17 19 o 0 13.7   7.4   ?    ?   185.348  38.4687      68.2236    38.4687      41.5357     -141.531     
1 1 1 22 17 20 o 0 -1.1   8     ?    ?   196.67   38.574       0.703488   -141.426     105.956     -141.426     
1 1 1 22 17 21 o 0 11.2   8.1   ?    ?   123.311  27.2111      85.3149    27.2111      19.6791     27.2111      
1 1 1 22 18 0  o 0 26.5   10.5  ?    ?   71.6572  1.86447e-13  83.7365    0            36.0229     -2.46956e-13 
1 1 1 22 18 1  o 0 12     11.6  ?    ?   170.355  -83.0971     46.8461    -83.0971     67.0546     96.9029      
1 1 1 22 18 2  o 0 11.6   14    ?    ?   226.694  -112.985     28.1436    -112.985     123.962     67.0147      
1 1 1 22 18 3  o 0 -4.6   7     ?    ?   197.939  -179.919     65.7703    0.0811599    198.977     0.0811599    
1 1 1 22 18 4  o 0 124.4  11.7  ?    ?   391.427  45.8053      401.121    45.8053      137.065     45.8053      
1 1 1 22 18 5  o 0 45.6   8.1   ?    ?   276.017  66.6018      199.31     66.6018      12.7566     66.6018      
1 1 1 22 18 6  o 0 58.6   10.2  ?    ?   317.629  -86.4242     228.381    -86.4242     13.4044     -86.4242     
1 1 1 22 18 7  o 0 18.1   8.4   ?    ?   215.719  29.7016      63.8492    29.7016      82.2837     -150.298     
1 1 1 22 18 8  o 0 33.3   11    ?    ?   191.516  -13.1469     171.173    -13.1469     44.2032     -13.1469     
1 1 1 22 18 9  o 0 143.1  13.6  ?    ?   526.251  -151.2       372.234    -151.2       23.3621     -151.2       
1 1 1 22 18 10 o 0 -3.6   7.5   ?    ?   139.72   -152.565     28.3293    27.435       120.908     27.435       
1 1 1 22 18 11 f 1 16.8   7.5   ?    ?   83.7659  -92.7238     93.9942    -92.7238     40.2128     -92.7238     
1 1 1 22 18 12 o 0 28.4   7.6   ?    ?   238.435  174.281      140.189    174.281      13.0769     -5.7194      
1 1 1 22 18 13 o 0 24.5   8.3   ?    ?   185.685  130.655      133.087    130.655      13.9471     130.655      
1 1 1 22 18 14 o 0 1.5    7.7   ?    ?   60.9161  86.9587      12.2631    86.9587      26.2924     -93.0413     
1 1 1 22 18 15 o 0 9.2    7.6   ?    ?   105.213  179.119      51.211     179.118      15.2019     -0.881493    
1 1 1 22 18 16 o 0 3.8    7.7   ?    ?   61.6286  142.356      28.1125    142.356      8.48565     -37.6435     
1 1 1 22 18 17 o 0 37.6   7.6   ?    ?   205.07   -34.3563     218.289    -34.3563     96.9409     -34.3563     
1 1 1 22 18 18 o 0 -8.6   7.5   ?    ?   135.098  -84.4713     4.41784    95.5287      76.7351     95.5287      
1 1 1 22 18 19 o 0 16.4   7.5   ?    ?   66.2583  -115.106     119.949    -115.106     84.6382     -115.106     
1 1 1 22 19 0  o 0 -2     14.6  ?    ?   86.5627  -180         23.3824    180          32.2937     1.0312e-13   
1 1 1 22 19 1  o 0 43.5   10.4  ?    ?   210.206  112.364      218.746    112.364      82.9577     112.364      
1 1 1 22 19 2  o 0 0.8    9.5   ?    ?   77.2274  -10.006      9.99574    -10.006      40.0785     169.994      
1 1 1 22 19 3  o 0 7.8    6.9   ?    ?   191.983  83.0118      5.18014    83.0118      119.697     -96.9882     
1 1 1 22 19 4  o 0 35.6   7.6   ?    ?   318.789  43.0246      129.482    43.0246      78.4231     -136.975     
1 1 1 22 19 5  o 0 92.8   11.6  ?    ?   551.574  -69.2368     209.135    -69.2368     151.34      110.763      
1 1 1 22 19 6  o 0 22.8   8.2   ?    ?   242.806  -146.778     89.4498    -146.778     69.4839     33.2224      
1 1 1 22 19 7  o 0 0.1    8.5   ?    ?   103.555  -111.012     0.0112001  -111.012     67.8461     68.9883      
1 1 1 22 19 8  o 0 -1     6.6   ?    ?   252.817  -115.521     70.0123    64.4789      231.201     64.4789      
1 1 1 22 19 9  o 0 65.3   9.5   ?    ?   291.543  92.1403      280.26     92.1403      94.358      92.1403      
1 1 1 22 19 10 o 0 -2.7   7.1   ?    ?   197.741  75.6669      46.1561    -104.333     172.202     -104.333     
1 1 1 22 19 11 o 0 -3.6   7.5   ?    ?   143.781  128.017      25.1137    -51.9825     116.691     -51.9825     
1 1 1 22 19 12 o 0 8.8    7.9   ?    ?   91.8544  62.1294      48.986     62.1294      8.78335     -117.871     
1 1 1 22 19 13 o 0 54     9.8   ?    ?   294.114  174.815      233.599    174.815      48.937      174.815      
1 1 1 22 19 14 o 0 0.3    9.8   ?    ?   93.5342  88.3376      29.8184    88.3376      25.4855     -91.6624     
1 1 1 22 19 15 o 0 7.3    9     ?    ?   133.444  -44.5816     47.8208    -44.5816     30.8779     135.418      
1 1 1 22 19 16 o 0 -3.1   7.3   ?    ?   102.566  145.762      0.237738   145.762      60.0685     -34.2378     
1 1 1 22 19 17 o 0 33.3   8.2   ?    ?   273.309  113.744      172.467    113.744      27.0181     113.744      
1 1 1 22 20 0  o 0 39.9   11.2  ?    ?   311.015  -3.97876e-14 175.999    0            15.967      180          
1 1 1 22 20 1  o 0 21.7   9.9   ?    ?   275.135  14.6224      60.4887    14.6224      110.105     -165.378     
1 1 1 22 20 2  o 0 -11.3  9.6   ?    ?   24.7441  -143.347     2.52348    36.6534      17.9265     36.6534      
1 1 1 22 20 3  o 0 5      9.1   ?    ?   125.529  -49.6052     23.4443    -49.6052     54.9613     130.395      
1 1 1 22 20 4  o 0 53.3   9.7   ?    ?   278.218  -138.641     233.441    -138.641     59.1728     -138.641     
1 1 1 22 20 5  o 0 5.6    7.1   ?    ?   181.742  84.7829      0.676244   84.7829      113.424     -95.2171     
1 1 1 22 20 6  o 0 13.5   7.1   ?    ?   150.18   39.7355      66.5352    39.7355      27.9173     -140.264     
1 1 1 22 20 7  o 0 -5.5   8.5   ?    ?   95.3992  155.36       9.79574    -24.6397     69.8714     -24.6397     
1 1 1 22 20 8  o 0 159.2  15.4  ?    ?   466.98   -89.3138     447.463    -89.3138     156.496     -89.3138     
1 1 1 22 20 9  o 0 78.9   11.8  ?    ?   401.138  -84.9226     261.695    -84.9226     11.6793     -84.9226     
1 1 1 22 20 10 o 0 47.6   8.5   ?    ?   338.113  98.2794      182.744    98.2794      27.9532     -81.7206     
1 1 1 22 20 11 o 0 7.7    7.2   ?    ?   16.9152  -52.1674     11.047     -52.1674     0.51293     -52.1674     
1 1 1 22 20 12 f 1 30.1   10.3  ?    ?   315      139.061      103.659    139.061      80.7938     -40.9387     
1 1 1 22 20 13 f 1 7.2    9.8   ?    ?   132.651  -71.1764     49.767     -71.1764     27.7879     108.824      
1 1 1 22 20 14 o 0 27.5   10.9  ?    ?   179.564  -35.9222     161.373    -35.9222     65.9691     -35.9222     
1 1 1 22 20 15 o 0 -1.2   7.1   ?    ?   36.6403  52.8928      14.3871    52.8928      5.03264     -127.107     
1 1 1 22 21 1  o 0 17.9   9.4   ?    ?   294.372  -16.6323     30.253     -16.6323     147.77      163.368      
1 1 1 22 21 2  o 0 11.4   7.6   ?    ?   108.027  -108.939     63.448     -108.939     2.15499     71.0611      
1 1 1 22 21 3  o 0 48.2   8.2   ?    ?   302.332  95.5254      202.342    95.5254      18.0791     95.5254      
1 1 1 22 21 4  o 0 195.4  16.9  ?    ?   534.669  159.48       478.574    159.48       151.715     159.48       
1 1 1 22 21 5  o 0 18.3   10.4  ?    ?   141.526  -133.477     102.114    -133.477     15.3787     -133.477     
1 1 1 22 21 6  o 0 -4     8.1   ?    ?   74.7807  -41.8527     0.546085   138.147      46.4669     138.147      
1 1 1 22 21 7  o 0 9.3    7     ?    ?   59.4041  -64.7338     39.3992    -64.7338     2.86737     -64.7338     
1 1 1 22 21 8  o 0 36.7   8     ?    ?   170.689  -170.453     225.338    -170.453     126.18      -170.453     
1 1 1 22 21 9  o 0 36.1   7.4   ?    ?   148.561  161.202      231.954    161.202      145.609     161.202      
1 1 1 22 21 10 o 0 12.8   7.7   ?    ?   24.0071  37.5         34.6377    37.5         20.6847     37.5         
1 1 1 22 21 11 o 0 10.8   8.6   ?    ?   118.593  -112.16      67.3461    -112.16      1.54702     67.8397      
1 1 1 22 21 12 o 0 1.2    10.1  ?    ?   79.4681  64.6326      47.2123    64.6326      5.32349     64.6326      
1 1 1 22 21 13 o 0 29.2   8.6   ?    ?   242.077  55.5362      155.28     55.5362      27.8571     55.5362      
1 1 1 22 22 0  o 0 26.1   14.6  ?    ?   197.105  180          110.976    180          0.612742    -180         
1 1 1 22 22 1  o 0 107.8  14.8  ?    ?   485.646  -18.323      298.263    -18.323      24.9827     -18.323      
1 1 1 22 22 2  o 0 8.3    8.7   ?    ?   55.6805  -22.0302     45.2641    -22.0302     13.794      -22.0302     
1 1 1 22 22 3  o 0 10.6   7.2   ?    ?   180.026  -3.92908     47.3641    -3.92908     54.7741     176.071      
1 1 1 22 22 4  o 0 3.9    7.1   ?    ?   217.618  157.458      9.57374    -22.5424     133.442     -22.5424     
1 1 1 22 22 5  f 1 3.2    7     ?    ?   131.933  128.849      17.2147    128.849      57.8918     -51.1515     
1 1 1 22 22 6  o 0 0.6    7.2   ?    ?   77.5198  -89.3389     13.7869    -89.3389     30.5537     90.6611      
1 1 1 22 22 7  o 0 -5.3   8     ?    ?   58.8429  12.2382      3.3233     12.2382      30.3902     -167.762     
1 1 1 22 22 8  o 0 55.7   10.5  ?    ?   320.739  27.3469      243.014    27.3469      75.9203     27.3469      
1 1 1 22 22 9  o 0 44     9.5   ?    ?   136.609  89.0151      275.007    89.0151      203.792     89.0151      
1 1 1 22 22 10 o 0 -0.2   7.2   ?    ?   64.9018  112.012      24.2543    112.012      9.58499     -67.9882     
1 1 1 22 23 0  o 0 11.7   13.1  ?    ?   116.531  -180         61.7638    180          3.38247     180          
1 1 1 22 23 1  o 0 0.8    9.9   ?    ?   120.962  127.48       40.2542    127.48       20.6632     -52.52       
1 1 1 22 23 2  o 0 -0.6   8     ?    ?   51.087   56.4765      23.403     56.4765      2.44362     -123.523     
1 1 1 22 23 3  o 0 -5.8   6.7   ?    ?   95.3327  142.186      3.66889    142.186      44.758      -37.8141     
1 1 1 22 23 4  o 0 12.8   7.6   ?    ?   179.441  -10.7563     73.5475    -10.7563     17.9213     169.244      
1 1 1 22 23 5  o 0 6.3    7.4   ?    ?   51.4496  27.7623      45.2503    27.7623      18.9475     27.7623      
1 1 1 22 23 6  o 0 2      6.7   ?    ?   54.5558  11.7041      26.4874    11.7041      1.46992     -168.296     
1 1 1 23 0  1  o 0 15.7   10.2  ?    ?   108.166  90           31.0333    90           37.1128     -90          
1 1 1 23 0  2  o 0 198.2  23.3  ?    ?   222.79   -6.50786e-15 389.066    0            248.371     3.68654e-15  
1 1 1 23 0  3  f 1 34.5   10.1  ?    ?   92.1918  90           75.1675    90           16.9953     90           
1 1 1 23 0  4  o 0 76     12.5  ?    ?   92.9593  180          161.504    180          102.63      180          
1 1 1 23 0  5  o 0 250.2  34.5  ?    ?   635.235  90           437.532    90           34.9969     90           
1 1 1 23 0  6  o 0 44.7   11.9  ?    ?   146.684  -180         133.994    180          41.0434     180          
1 1 1 23 0  7  o 0 439.3  42.1  ?    ?   990.503  -90          582.022    -90          45.3069     90           
1 1 1 23 0  8  o 0 5.4    9.3   ?    ?   106.638  1.38371e-14  14.7598    0            49.1054     -180         
1 1 1 23 0  9  o 0 44.8   11.2  ?    ?   147.651  -90          142.603    -90          54.3084     -90          
1 1 1 23 0  10 o 0 -2.4   9.7   ?    ?   136.906  -2.28041e-16 11.3195    0            70.3888     180          
1 1 1 23 0  12 o 0 -3.8   12.3  ?    ?   300.789  180          29.0838    180          143.2       -1.11881e-14 
1 1 1 23 0  13 f 1 25.6   14    ?    ?   163.233  90           78.845     90           14.1048     -90          
1 1 1 23 0  14 o 0 -25.3  13.5  ?    ?   94.2846  -1.85786e-16 5.43191    0            48.1965     180          
1 1 1 23 0  15 o 0 414.1  47.6  ?    ?   936.582  90           546.979    90           23.8029     90           
1 1 1 23 0  16 o 0 192.4  30.6  ?    ?   544.415  -8.22623e-15 369.534    0            66.7973     3.72827e-14  
1 1 1 23 0  17 o 0 25.9   11.6  ?    ?   37.3448  -90          30.608     -90          8.98981     -90          
1 1 1 23 0  18 o 0 46.4   13.2  ?    ?   267.203  -5.60872e-15 214.137    0            23.2063     4.61459e-14  
1 1 1 23 0  19 o 0 69.2   18.4  ?    ?   314.945  -90          261.337    -90          37.5937     -90          
1 1 1 23 0  20 f 1 15.8   16.9  ?    ?   242.529  180          93.4315    180          80.7921     -7.04606e-15 
1 1 1 23 0  21 o 0 1.4    12.7  ?    ?   120.823  90           32.6011    90           54.0278     -90          
1 1 1 23 0  22 o 0 -0.1   12    ?    ?   123.912  180          29.328     180          58.8839     3.49477e-15  
1 1 1 23 0  23 o 0 -13    12.8  ?    ?   9.87195  90           1.72015    90           5.10281     -90          
1 1 1 23 0  24 o 0 137.6  23.2  ?    ?   347.024  180          361.981    180          130.632     180          
1 1 1 23 0  25 o 0 35.9   15.2  ?    ?   266.191  90           158.58     90           17.3671     -90          
1 1 1 23 0  26 o 0 7.6    12.4  ?    ?   75.0997  -180         34.3897    180          14.2451     2.53147e-14  
1 1 1 23 0  27 o 0 38.3   13.3  ?    ?   187.895  90           169.181    90           55.44       90           
1 1 1 23 0  28 o 0 25.8   16.3  ?    ?   253.623  -6.00333e-15 111.685    0            26.3544     180          
1 1 1 23 1  0  o 0 96.4   12.3  ?    ?   353.319  90           270.02     90           48.6265     90           
1 1 1 23 1  1  o 0 127.7  12.1  ?    ?   438.471  -135.164     319.948    -135.164     44.372      -135.164     
1 1 1 23 1  2  o 0 657.8  54.5  ?    ?   916.083  -3.71974     818.942    -3.71974     241.846     -3.71974     
1 1 1 23 1  3  o 0 85.1   10.5  ?    ?   413.057  31.7938      218.896    31.7938      41.7569     -148.206     
1 1 1 23 1  4  o 0 3.5    6.4   ?    ?   101.942  31.6385      32.9306    -148.362     97.3304     -148.362     
1 1 1 23 1  5  o 0 4.8    6.6   ?    ?   181.203  -23.1014     55.2494    156.899      169.781     156.899      
1 1 1 23 1  6  o 0 119.8  10.3  ?    ?   305.56   22.8535      371.444    22.8535      178.313     22.8535      
1 1 1 23 1  7  o 0 277.6  22.4  ?    ?   619.712  65.8028      535.963    65.8028      165.386     65.8028      
1 1 1 23 1  8  o 0 100.8  10.8  ?    ?   514.178  171.637      227.131    171.637      80.0281     -8.36267     
1 1 1 23 1  9  o 0 16.3   6.7   ?    ?   98.8785  52.8266      27.468     52.8266      31.5124     -127.173     
1 1 1 23 1  10 o 0 396.1  27.3  ?    ?   853.095  161.932      578.27     161.932      70.3867     161.932      
1 1 1 23 1  11 o 0 180.8  16.4  ?    ?   461.708  6.27518      440.77     6.27518      166.547     6.27518      
1 1 1 23 1  12 o 0 21.5   8.9   ?    ?   286.149  29.031       38.4262    29.031       125.083     -150.969     
1 1 1 23 1  13 o 0 6.2    9.3   ?    ?   186.812  -54.7394     18.6997    125.261      125.104     125.261      
1 1 1 23 1  14 o 0 27.1   11.4  ?    ?   428.713  141.174      0.210597   141.174      243.093     -38.8265     
1 1 1 23 1  15 o 0 28.8   11    ?    ?   135.581  -110.612     114.836    -110.612     39.2634     -110.612     
1 1 1 23 1  16 o 0 29     11.3  ?    ?   288.215  -7.11132     81.5549    -7.11132     78.3841     172.889      
1 1 1 23 1  17 o 0 -2     8     ?    ?   71.0217  38.6553      13.9256    -141.345     54.9578     -141.345     
1 1 1 23 1  18 o 0 71.9   10    ?    ?   314.589  59.544       303.559    59.544       79.1875     59.544       
1 1 1 23 1  19 o 0 19.5   8.2   ?    ?   93.6438  92.6851      101.202    92.6851      33.4554     92.6851      
1 1 1 23 1  20 o 0 136.2  16    ?    ?   467.5    -111.567     405.298    -111.567     69.1518     -111.567     
1 1 1 23 1  21 o 0 -1.6   8.5   ?    ?   49.6475  158.876      2.80166    -21.1245     38.3442     -21.1245     
1 1 1 23 1  22 o 0 -9.8   8.6   ?    ?   55.2307  -162.946     14.6231    17.0536      53.8863     17.0536      
1 1 1 23 1  23 o 0 7.9    9.1   ?    ?   99.3262  40.4438      38.256     40.4438      30.3054     -139.556     
1 1 1 23 1  24 o 0 76.4   11.9  ?    ?   249.538  47.5363      354.445    47.5363      188.277     47.5363      
1 1 1 23 1  25 o 0 28.1   9.8   ?    ?   182.631  93.5422      155.446    93.5422      34.8521     93.5422      
1 1 1 23 1  26 f 1 7.9    9.2   ?    ?   58.4042  47.3916      40.9389    47.3916      3.24626     47.3916      
1 1 1 23 1  27 o 0 17.1   8.8   ?    ?   181.982  88.1019      94.2426    88.1019      15.8388     -91.8981     
1 1 1 23 1  28 o 0 -14    11.4  ?    ?   119.798  27.0606      17.2608    27.0606      47.9033     -152.939     
1 1 1 23 2  0  o 0 51.7   17.3  ?    ?   217.653  -90          166.559    -90          30.6034     -90          
1 1 1 23 2  1  o 0 152.4  16.4  ?    ?   555.699  14.3517      308.852    14.3517      39.2911     -165.648     
1 1 1 23 2  2  o 0 199.9  18.3  ?    ?   610.04   136.856      377.349    136.856      5.72036     -43.1436     
1 1 1 23 2  3  o 0 72.2   9     ?    ?   403.182  -177.369     183.187    -177.369     70.4137     2.63103      
1 1 1 23 2  4  o 0 86.8   9.5   ?    ?   374.396  -43.4368     244.538    -43.4368     8.78662     -43.4368     
1 1 1 23 2  5  o 0 6.4    7.2   ?    ?   117.674  -55.3051     26.3675    124.695      100.504     124.695      
1 1 1 23 2  6  o 0 186.2  15.3  ?    ?   532.917  -71.5018     397.074    -71.5018     61.3255     -71.5018     
1 1 1 23 2  7  f 1 25.3   9.3   ?    ?   517.791  -25.7579     61.5287    154.242      369.375     154.242      
1 1 1 23 2  8  o 0 57.9   9     ?    ?   394.309  -160.537     154.108    -160.537     80.6976     19.4633      
1 1 1 23 2  9  o 0 86.9   10.4  ?    ?   329.039  -8.91935     281.532    -8.91935     85.8759     -8.91935     
1 1 1 23 2  10 o 0 94.1   13    ?    ?   462.945  -84.063      232.49     -84.063      42.2715     95.937       
1 1 1 23 2  11 o 0 738.8  56.2  ?    ?   1019.45  79.9063      857.002    79.9063      253.344     79.9063      
1 1 1 23 2  12 o 0 91.5   12.5  ?    ?   188.7    -60.1227     351.709    -60.1227     244.202     -60.1227     
1 1 1 23 2  13 o 0 58.8   10.4  ?    ?   199.667  86.6703      242.385    86.6703      128.986     86.6703      
1 1 1 23 2  14 o 0 146.2  15.6  ?    ?   448.633  -170.56      377.463    -170.56      123.567     -170.56      
1 1 1 23 2  15 o 0 17.3   11.4  ?    ?   185.938  -90.2282     49.6186    -90.2282     53.7416     89.7718      
1 1 1 23 2  16 o 0 63.2   11.7  ?    ?   385.536  -1.73596     186.439    -1.73596     26.9462     178.264      
1 1 1 23 2  17 o 0 16.7   8.4   ?    ?   213.071  -101.505     41.5788    -101.505     81.2113     78.4951      
1 1 1 23 2  18 o 0 5.1    7.9   ?    ?   192.902  -41.0688     27.2137    138.931      164.464     138.931      
1 1 1 23 2  19 o 0 -0.3   9.8   ?    ?   78.7481  -72.6528     0.333191   -72.6528     56.5055     107.347      
1 1 1 23 2  20 o 0 13     9     ?    ?   152.909  -5.37679     52.0471    -5.37679     57.6584     174.623      
1 1 1 23 2  21 o 0 15.4   8.7   ?    ?   106.224  -41.6809     77.9698    -41.6809     2.08151     -41.6809     
1 1 1 23 2  22 o 0 26.9   8.5   ?    ?   170.664  77.0014      152.246    77.0014      31.1578     77.0014      
1 1 1 23 2  23 o 0 2.3    8.8   ?    ?   38.3709  3.8682       8.46032    3.8682       17.9775     -176.132     
1 1 1 23 2  24 o 0 106.3  13.3  ?    ?   348.997  -45.2099     394.903    -45.2099     162.898     -45.2099     
1 1 1 23 2  25 o 0 19.4   9.2   ?    ?   91.5381  -154.581     112.254    -154.581     51.9044     -154.581     
1 1 1 23 2  26 o 0 25     9.8   ?    ?   119.59   17.4365      158.648    17.4365      81.3792     17.4365      
1 1 1 23 2  27 o 0 -5.4   9.5   ?    ?   80.7166  147.531      11.9676    147.531      36.7949     -32.4688     
1 1 1 23 2  28 o 0 48.1   12.5  ?    ?   236.671  -76.4276     248.397    -76.4276     119.809     -76.4276     
1 1 1 23 3  0  f 1 111.2  15.7  ?    ?   369.621  -90          287.497    -90          58.0983     -90          
1 1 1 23 3  1  o 0 67.6   9.4   ?    ?   412.718  20.2182      161.116    20.2182      96.446      -159.782     
1 1 1 23 3  2  o 0 673.1  51.1  ?    ?   932.491  140.955      822.001    140.955      238.73      140.955      
1 1 1 23 3  3  o 0 92     9.3   ?    ?   353.081  -129.484     269.729    -129.484     48.506      -129.484     
1 1 1 23 3  4  o 0 72.2   8.3   ?    ?   209.353  -117.716     267.276    -117.716     135.961     -117.716     
1 1 1 23 3  5  o 0 85.9   9.7   ?    ?   257.814  -128.462     295.179    -128.462     133.379     -128.462     
1 1 1 23 3  6  o 0 435.7  31.1  ?    ?   992.72   -77.5513     549.374    -77.5514     40.3852     102.449      
1 1 1 23 3  7  o 0 378.6  27.6  ?    ?   805.542  176.575      579.167    176.575      100.83      176.575      
1 1 1 23 3  8  f 1 52     8.7   ?    ?   374.457  31.815       141.757    31.815       79.8197     -148.185     
1 1 1 23 3  9  o 0 46.6   7.8   ?    ?   285.388  106.272      160.645    106.272      8.42698     -73.7277     
1 1 1 23 3  10 o 0 42.6   8.2   ?    ?   357.819  -99.1037     110.27     -99.1037     101.326     80.8963      
1 1 1 23 3  11 o 0 523.9  37.9  ?    ?   951.935  -127.279     693.1      -127.279     151.219     -127.279     
1 1 1 23 3  12 o 0 22.9   9.7   ?    ?   330.425  34.7404      27.2861    34.7404      160.307     -145.26      
1 1 1 23 3  13 f 1 -2.8   9.1   ?    ?   146.561  8.89916      37.2084    -171.101     119.949     -171.101     
1 1 1 23 3  14 o 0 81.1   12    ?    ?   565.434  36.4067      154.895    36.4067      159.614     -143.593     
1 1 1 23 3  15 o 0 109.9  16    ?    ?   347.245  139.379      341.204    139.379      148.799     139.379      
1 1 1 23 3  16 o 0 11.4   10.6  ?    ?   240.753  116.768      2.76291    116.768      130.07      -63.2323     
1 1 1 23 3  17 o 0 15.9   8.3   ?    ?   188.84   -50.9626     43.179     -50.9627     65.3166     129.037      
1 1 1 23 3  18 o 0 32.1   8.8   ?    ?   174.604  0.595079     178.206    0.595079     54.3395     0.595079     
1 1 1 23 3  19 o 0 21.8   9.2   ?    ?   98.0833  55.747       116.002    55.747       45.4071     55.747       
1 1 1 23 3  20 o 0 195    18.8  ?    ?   468.623  -142.784     551.304    -142.784     215.996     -142.784     
1 1 1 23 3  21 o 0 6      8.3   ?    ?   34.0964  -121.539     10.3981    -121.539     13.8979     58.4611      
1 1 1 23 3  22 o 0 19.1   9.2   ?    ?   174.191  -107.524     91.4262    -107.524     31.8592     72.4763      
1 1 1 23 3  23 o 0 37.3   9.3   ?    ?   206.586  -120.108     206.327    -120.108     64.3207     -120.108     
1 1 1 23 3  24 f 1 0.8    8.9   ?    ?   317.032  -10.2131     82.054     169.787      291.802     169.787      
1 1 1 23 3  25 o 0 -4.2   9.2   ?    ?   141.941  -102.338     13.9168    77.662       107.301     77.662       
1 1 1 23 3  26 o 0 11.2   9.1   ?    ?   137.624  -167.465     62.0012    -167.465     26.7455     12.535       
1 1 1 23 3  27 o 0 29.6   12.2  ?    ?   263.284  -133.286     115.878    -133.286     42.8875     46.7136      
1 1 1 23 3  28 o 0 52.1   15.7  ?    ?   221.016  -31.7803     242.773    -31.7803     122.893     -31.7803     
1 1 1 23 4  0  o 0 39.8   10.2  ?    ?   234.822  90           149.887    90           4.43877     90           
1 1 1 23 4  1  o 0 209.8  16    ?    ?   719.898  -98.0804     328.641    -98.0804     118.579     81.9196      
1 1 1 23 4  2  o 0 62.3   7.9   ?    ?   396.601  -24.1341     151.546    -24.1341     95.4015     155.866      
1 1 1 23 4  3  o 0 488.4  34.7  ?    ?   823.407  57.9649      681.637    57.9649      168.059     57.9649      
1 1 1 23 4  4  o 0 10.7   7.2   ?    ?   147.883  85.2688      14.8146    -94.7312     107.157     -94.7312     
1 1 1 23 4  5  o 0 95.7   9.8   ?    ?   490.796  55.9568      223.905    55.9568      66.3629     -124.043     
1 1 1 23 4  6  o 0 108.9  10.8  ?    ?   392.82   156.118      310.873    156.118      78.5328     156.118      
1 1 1 23 4  7  o 0 184.1  14    ?    ?   574.049  -149.9       387.111    -149.9       47.719      -149.9       
1 1 1 23 4  8  o 0 17.1   8.1   ?    ?   140.444  -26.3727     33.5852    -26.3727     49.3758     153.627      
1 1 1 23 4  9  o 0 134.9  12.1  ?    ?   441.74   -176.336     349.563    -176.336     88.969      -176.336     
1 1 1 23 4  10 o 0 41.4   9.9   ?    ?   284.351  -105.52      135.639    -105.52      31.8138     74.4799      
1 1 1 23 4  11 o 0 38.7   8.3   ?    ?   100.433  -38.427      145.381    -38.427      88.4431     -38.427      
1 1 1 23 4  12 o 0 85.5   10.4  ?    ?   567.516  94.6444      163.24     94.6444      157.672     -85.3556     
1 1 1 23 4  13 o 0 70.7   12.9  ?    ?   418.086  -29.9879     189.441    -29.9879     46.2728     150.012      
1 1 1 23 4  14 o 0 171.7  18.5  ?    ?   622.223  106.313      344.954    106.313      0.176859    106.313      
1 1 1 23 4  15 o 0 86.3   13.6  ?    ?   454.257  -60.139      224.51     -60.139      26.2538     119.861      
1 1 1 23 4  16 o 0 264.3  24.9  ?    ?   678.397  -71.1669     476.813    -71.1669     103.868     -71.1669     
1 1 1 23 4  17 f 1 60.7   9.6   ?    ?   289.74   166.806      271.477    166.806      66.144      166.806      
1 1 1 23 4  18 o 0 -12.3  8.8   ?    ?   25.6435  -21.9368     9.79973    158.063      27.9297     158.063      
1 1 1 23 4  19 o 0 198.5  18    ?    ?   483.162  111.13       553.108    111.13       206.5       111.13       
1 1 1 23 4  20 o 0 6.6    8     ?    ?   236.841  131.62       28.9644    -48.3799     197.889     -48.3799     
1 1 1 23 4  21 f 1 44.9   9.3   ?    ?   185.09   -133.614     253.261    -133.614     122.115     -133.614     
1 1 1 23 4  22 o 0 17.2   10.3  ?    ?   200.889  -122.5       71.4957    -122.5       67.185      57.4995      
1 1 1 23 4  23 o 0 18.1   8.8   ?    ?   89.627   -156.987     100.316    -156.987     38.8814     -156.987     
1 1 1 23 4  24 o 0 135.1  14.1  ?    ?   407.223  123.225      441.459    123.225      172.078     123.225      
1 1 1 23 4  25 o 0 -10.8  9     ?    ?   47.5968  -38.4991     3.84455    141.501      34.7244     141.501      
1 1 1 23 4  26 o 0 -3.6   8.9   ?    ?   1.61412  82.876       0.201495   82.876       0.836813    -97.124      
1 1 1 23 4  27 o 0 18     11.2  ?    ?   214.9    -78.3117     76.5426    -78.3117     52.7442     101.688      
1 1 1 23 4  28 o 0 2.5    13.7  ?    ?   126.117  88.192       63.7965    88.192       4.4596      -91.808      
1 1 1 23 5  0  o 0 -3.1   9.2   ?    ?   17.4284  -90          1.18184    -90          9.55727     90           
1 1 1 23 5  1  o 0 215.8  15.7  ?    ?   473.075  -2.12788     480.562    -2.12788     188.193     -2.12788     
1 1 1 23 5  2  o 0 63.7   8     ?    ?   173.51   -124.359     239.256    -124.359     131.773     -124.359     
1 1 1 23 5  3  o 0 95.5   9.5   ?    ?   438.177  122.33       249.676    122.33       7.70963     -57.6701     
1 1 1 23 5  4  o 0 55.3   8     ?    ?   301.524  -32.1606     186.879    -32.1606     9.55552     -32.1606     
1 1 1 23 5  5  o 0 53.1   7.7   ?    ?   355.015  166.73       154.302    166.73       54.6138     -13.2703     
1 1 1 23 5  6  o 0 385    30    ?    ?   683.997  -48.9227     650.413    -48.9227     247.846     -48.9227     
1 1 1 23 5  7  o 0 68.1   9.8   ?    ?   271.063  -116.568     244.231    -116.568     84.7521     -116.568     
1 1 1 23 5  8  o 0 95.8   9.5   ?    ?   383.405  118.144      278.236    118.144      52.8415     118.144      
1 1 1 23 5  9  o 0 3.8    7.7   ?    ?   82.8089  -149.068     16.8595    30.9317      65.4802     30.9317      
1 1 1 23 5  10 o 0 41.6   8.6   ?    ?   271.082  72.5881      152.329    72.5881      0.972109    -107.412     
1 1 1 23 5  11 o 0 53.7   8.9   ?    ?   209.493  -59.4882     220.8      -59.4882     102.574     -59.4882     
1 1 1 23 5  12 o 0 88.1   12.3  ?    ?   484.957  -156.933     211.062    -156.933     61.9434     23.0667      
1 1 1 23 5  13 o 0 27.2   13    ?    ?   184.972  50.745       101.061    50.745       1.32948     -129.255     
1 1 1 23 5  14 o 0 84.7   14.1  ?    ?   498.448  -168.06      196.931    -168.06      78.0834     11.9404      
1 1 1 23 5  15 o 0 349    34.8  ?    ?   771.886  -133.741     548.62     -133.741     124.292     -133.741     
1 1 1 23 5  16 o 0 53.7   10.6  ?    ?   372.254  -34.5575     152.022    -34.5575     61.2015     145.442      
1 1 1 23 5  17 o 0 -6.2   7.9   ?    ?   101.103  24.2352      35.4498    -155.765     107         -155.765     
1 1 1 23 5  18 o 0 4.7    7.9   ?    ?   204.764  -77.5016     25.3025    102.498      172.415     102.498      
1 1 1 23 5  19 o 0 56.2   9.3   ?    ?   253.971  24.7693      270.961    24.7693      89.4519     24.7693      
1 1 1 23 5  20 o 0 6.3    8.3   ?    ?   90.7248  123.866      20.0139    123.866      44.601      -56.1345     
1 1 1 23 5  21 o 0 62.2   10    ?    ?   259.561  158.76       290.229    158.76       106.491     158.76       
1 1 1 23 5  22 o 0 41.8   9.1   ?    ?   199.771  126.542      233.799    126.542      96.3609     126.542      
1 1 1 23 5  23 o 0 19.1   9     ?    ?   117.545  69.6565      109.303    69.6565      28.9974     69.6565      
1 1 1 23 5  24 o 0 1.7    8.5   ?    ?   116.052  105.988      8.57112    105.988      67.9543     -74.0115     
1 1 1 23 5  25 o 0 5.8    9.3   ?    ?   125.867  52.5936      36.9824    52.5936      44.4279     -127.406     
1 1 1 23 5  26 o 0 16.2   10.1  ?    ?   134.31   18.3142      104.556    18.3142      23.2593     18.3142      
1 1 1 23 5  27 o 0 -7.2   10.7  ?    ?   189.311  89.8915      13.417     -90.1085     126.989     -90.1085     
1 1 1 23 6  0  o 0 15.6   8.9   ?    ?   104.392  90           32.6988    90           27.8375     -90          
1 1 1 23 6  1  o 0 266.1  19.9  ?    ?   708.476  155.841      454.031    155.841      41.9516     155.841      
1 1 1 23 6  2  o 0 52.1   7.6   ?    ?   219.344  -79.8082     202.533    -79.8082     74.6482     -79.8082     
1 1 1 23 6  3  o 0 130.3  12.2  ?    ?   428.033  -40.1888     342.394    -40.1888     92.3864     -40.1888     
1 1 1 23 6  4  o 0 3.1    6.7   ?    ?   67.0513  -90.7388     16.7416    89.2612      55.954      89.2612      
1 1 1 23 6  5  o 0 265.2  21.4  ?    ?   519.823  -133.381     558.456    -133.381     254.24      -133.381     
1 1 1 23 6  6  o 0 175.8  15.3  ?    ?   329.921  -18.338      491.753    -18.338      298.632     -18.338      
1 1 1 23 6  7  o 0 304.4  22.5  ?    ?   508.848  -14.9122     626.848    -14.9122     329.07      -14.9122     
1 1 1 23 6  8  o 0 62.5   10.9  ?    ?   387.514  141.246      169.127    141.246      57.4829     -38.7545     
1 1 1 23 6  9  o 0 30.3   9.1   ?    ?   57.8023  -93.5626     72.7926    -93.5626     40.2194     -93.5626     
1 1 1 23 6  10 o 0 93.7   11    ?    ?   519.435  178.71       211.053    178.71       81.2023     -1.2901      
1 1 1 23 6  11 o 0 299.7  24.9  ?    ?   886.8    55.6227      422.102    55.6227      75.86       -124.377     
1 1 1 23 6  12 f 1 6      9.6   ?    ?   218.502  6.59617      27.2577    -173.404     149.346     -173.404     
1 1 1 23 6  13 f 1 37.3   10.4  ?    ?   281.161  133.824      132.311    133.824      22.1794     -46.1763     
1 1 1 23 6  14 o 0 106.1  16.8  ?    ?   423.266  158.873      290.389    158.873      57.9533     158.873      
1 1 1 23 6  15 o 0 80.6   13.8  ?    ?   546.434  -150.975     157.555    -150.975     141.455     29.0251      
1 1 1 23 6  16 o 0 49.9   9.9   ?    ?   234.234  46.1009      249.722    46.1009      83.9664     46.1009      
1 1 1 23 6  17 o 0 34.8   8.4   ?    ?   107.639  -7.52865     191.375    -7.52865     115.533     -7.52865     
1 1 1 23 6  18 o 0 59.3   9.9   ?    ?   321.416  6.1501       243.011    6.1501       13.0799     6.1501       
1 1 1 23 6  19 o 0 41.3   9.2   ?    ?   175.832  119.606      236.432    119.606      111.293     119.606      
1 1 1 23 6  20 o 0 6.8    8     ?    ?   84.7288  31.6474      20.7411    31.6474      39.3578     -148.353     
1 1 1 23 6  21 o 0 12.6   8.4   ?    ?   165.309  30.3433      46.9505    30.3433      69.6045     -149.657     
1 1 1 23 6  22 o 0 18.1   8.5   ?    ?   79.6861  4.09758      97.7114    4.09758      43.0999     4.09758      
1 1 1 23 6  23 o 0 1.8    8.8   ?    ?   228.341  -37.3683     30.2873    142.632      181.416     142.632      
1 1 1 23 6  24 o 0 65.1   11.6  ?    ?   100.919  -97.8085     360.982    -97.8085     294.677     -97.8085     
1 1 1 23 6  25 o 0 -5     8.8   ?    ?   35.6824  34.7097      2.24638    34.7097      20.7518     -145.29      
1 1 1 23 6  26 o 0 -1.8   9.9   ?    ?   29.5131  77.869       12.2857    77.869       5.5176      -102.131     
1 1 1 23 6  27 o 0 13     11    ?    ?   123.815  59.6545      98.5366    59.6545      31.2949     59.6545      
1 1 1 23 7  0  o 0 59.7   11.2  ?    ?   69.5752  90           108.192    90           68.103      90           
1 1 1 23 7  1  o 0 56.2   7.3   ?    ?   277.699  -130.615     197.035    -130.615     36.532      -130.615     
1 1 1 23 7  2  o 0 169.1  13.9  ?    ?   399.305  57.4081      440.243    57.4081      208.886     57.4081      
1 1 1 23 7  3  f 1 84.1   9.5   ?    ?   511.864  149.349      175.856    149.349      120.51      -30.6506     
1 1 1 23 7  4  f 1 12.7   6.7   ?    ?   210.914  172.737      4.91052    -7.26302     127.191     -7.26302     
1 1 1 23 7  5  o 0 52.5   8     ?    ?   200.945  138.171      207.337    138.171      90.4424     138.171      
1 1 1 23 7  6  o 0 538    41.5  ?    ?   785.598  -160.747     769.984    -160.747     312.844     -160.747     
1 1 1 23 7  7  o 0 71.7   9.4   ?    ?   396.732  53.4612      206.696    53.4612      15.9924     -126.539     
1 1 1 23 7  8  o 0 4      8     ?    ?   15.9217  36.7508      1.90745    -143.249     10.8388     -143.249     
1 1 1 23 7  9  o 0 42.8   8.7   ?    ?   231.915  147.131      169.266    147.131      39.3093     147.131      
1 1 1 23 7  10 o 0 83.4   12.5  ?    ?   321.386  -55.0564     274.697    -55.0564     94.8692     -55.0564     
1 1 1 23 7  11 o 0 156.1  20.3  ?    ?   683.028  -12.7615     267.366    -12.7615     114.096     167.239      
1 1 1 23 7  12 o 0 43.5   9.2   ?    ?   298.277  64.6362      153.163    64.6362      10.7359     -115.364     
1 1 1 23 7  13 o 0 1.3    8.9   ?    ?   63.9571  85.6715      7.15377    -94.3285     42.2035     -94.3285     
1 1 1 23 7  14 f 1 84.4   12.5  ?    ?   552.905  78.6252      167.923    78.6252      133.377     -101.375     
1 1 1 23 7  15 o 0 27.1   8.6   ?    ?   259.971  37.9995      89.7907    37.9995      58.2896     -142.001     
1 1 1 23 7  16 o 0 81.5   11.3  ?    ?   341.61   -111.755     318.229    -111.755     77.6732     -111.755     
1 1 1 23 7  17 f 1 4.5    10    ?    ?   172.194  -166.816     0.36846    -166.816     122.489     13.1842      
1 1 1 23 7  18 f 1 -6.3   7.7   ?    ?   54.166   98.4809      15.5292    -81.5191     53.997      -81.5191     
1 1 1 23 7  19 o 0 49.7   9.3   ?    ?   246.836  -16.7642     244.313    -16.7642     69.0613     -16.7642     
1 1 1 23 7  20 o 0 87.1   11.1  ?    ?   350.322  27.5839      327.182    27.5839      79.8088     27.5839      
1 1 1 23 7  21 o 0 6.8    8.5   ?    ?   96.1876  1.74103      29.5434    1.74103      36.5117     -178.259     
1 1 1 23 7  22 o 0 13     10.6  ?    ?   95.2466  -58.2787     67.6402    -58.2787     2.64333     -58.2787     
1 1 1 23 7  23 o 0 4.8    9.4   ?    ?   148.378  -149.472     20.6133    -149.472     77.1825     30.5283      
1 1 1 23 7  24 o 0 15.5   9.1   ?    ?   91.5461  -53.1748     94.6657    -53.1748     35.4405     -53.1748     
1 1 1 23 7  25 o 0 29.2   9.4   ?    ?   104.021  -23.2746     186.275    -23.2746     119.495     -23.2746     
1 1 1 23 7  26 o 0 -2.5   10.2  ?    ?   79.109   23.1771      22.3536    23.1771      25.1846     -156.823     
1 1 1 23 7  27 o 0 -18.7  14.4  ?    ?   164.17   43.9307      13.1774    43.9307      75.648      -136.069     
1 1 1 23 8  0  o 0 2.9    12.3  ?    ?   78.0111  90           10.6457    90           33.9933     -90          
1 1 1 23 8  1  o 0 32.4   7.7   ?    ?   282.806  -2.69197     93.8182    -2.69197     68.5186     177.308      
1 1 1 23 8  2  o 0 314.1  23.4  ?    ?   664.267  34.6762      546.89     34.6762      164.612     34.6762      
1 1 1 23 8  3  o 0 45.3   9.6   ?    ?   493.004  -173.722     49.9635    -173.722     234.314     6.27795      
1 1 1 23 8  4  o 0 7.7    7.6   ?    ?   162.842  128.487      21.265     -51.5134     115.297     -51.5134     
1 1 1 23 8  5  o 0 145.5  15.1  ?    ?   384.203  90.5097      403.951    90.5097      189.717     90.5097      
1 1 1 23 8  6  o 0 81.4   11    ?    ?   363.683  116.692      250.383    116.692      47.5083     116.692      
1 1 1 23 8  7  o 0 37.8   9.1   ?    ?   86.4861  114.555      127.887    114.555      79.6453     114.555      
1 1 1 23 8  8  o 0 50.9   9     ?    ?   277.467  -71.2751     185.285    -71.2751     30.5937     -71.2751     
1 1 1 23 8  9  o 0 -8.6   7.9   ?    ?   119.788  40.7949      42.7015    -139.205     109.421     -139.205     
1 1 1 23 8  10 o 0 25.1   9.9   ?    ?   228.59   -26.9316     74.3358    -26.9316     52.8109     153.068      
1 1 1 23 8  11 o 0 64.1   9.4   ?    ?   115.106  -132.446     263.435    -132.446     200.41      -132.446     
1 1 1 23 8  12 o 0 -0.6   7.9   ?    ?   69.8766  166.556      13.795     -13.4437     51.9718     -13.4437     
1 1 1 23 8  13 o 0 -2.7   8.9   ?    ?   119.713  158.284      25.2058    -21.7159     90.443      -21.7159     
1 1 1 23 8  14 o 0 2.9    8.9   ?    ?   194.776  -56.0002     25.5614    124          136.277     124          
1 1 1 23 8  15 o 0 66.4   10.3  ?    ?   263.695  74.9928      305.26     74.9928      119.863     74.9928      
1 1 1 23 8  16 o 0 1.3    8.7   ?    ?   98.5308  93.3739      3.24321    -86.6261     73.6484     -86.6261     
1 1 1 23 8  17 o 0 -12.1  7.7   ?    ?   154.267  -65.4511     64.3982    114.549      174.175     114.549      
1 1 1 23 8  18 o 0 11.7   7.9   ?    ?   90.1361  -158.561     42.9232    -158.561     20.9285     21.4386      
1 1 1 23 8  19 o 0 44.1   11    ?    ?   226.028  -96.1115     222.761    -96.1115     63.0826     -96.1115     
1 1 1 23 8  20 o 0 6.7    10.2  ?    ?   31.7756  73.1481      18.3604    73.1481      3.48238     -106.852     
1 1 1 23 8  21 o 0 27.1   9.2   ?    ?   154.488  -85.1164     160.985    -85.1164     55.4005     -85.1164     
1 1 1 23 8  22 o 0 -5.8   9.7   ?    ?   83.3467  -57.6001     1.65047    122.4        56.6983     122.4        
1 1 1 23 8  23 o 0 -14.1  8.7   ?    ?   128.095  137.314      35.1251    -42.6858     119.166     -42.6858     
1 1 1 23 8  24 o 0 45.2   10    ?    ?   254.173  171.227      220.794    171.227      57.0942     171.227      
1 1 1 23 8  25 o 0 13.1   10    ?    ?   115.64   -2.44789     87.6947    -2.44789     17.9392     -2.44789     
1 1 1 23 8  26 o 0 -9.5   13    ?    ?   51.7104  144.206      31.8608    144.206      3.75886     144.206      
1 1 1 23 8  27 o 0 -1.6   10.5  ?    ?   115.96   17.7874      40.2151    17.7874      22.2649     -162.213     
1 1 1 23 9  0  o 0 -7.3   10.9  ?    ?   129.976  -90          9.81094    -90          61.4089     90           
1 1 1 23 9  1  o 0 46.1   8.8   ?    ?   233.352  -25.6797     179.208    -25.6797     50.9262     -25.6797     
1 1 1 23 9  2  o 0 321.4  28.4  ?    ?   807.549  6.57649      488.16     6.57649      43.0424     6.57649      
1 1 1 23 9  3  o 0 44     9.9   ?    ?   242.698  -22.5374     167.622    -22.5374     33.5687     -22.5374     
1 1 1 23 9  4  f 1 16.7   8.4   ?    ?   34.2266  -13.1331     14.9163    -13.1331     3.9689      166.867      
1 1 1 23 9  5  o 0 91.1   11.7  ?    ?   439.125  -34.0035     240.234    -34.0035     2.93413     145.997      
1 1 1 23 9  6  o 0 21.6   7.7   ?    ?   254.917  66.6951      50.6537    66.6951      90.5824     -113.305     
1 1 1 23 9  7  o 0 85.1   11.4  ?    ?   382.513  154.325      250.007    154.325      38.0657     154.325      
1 1 1 23 9  8  o 0 45.8   9.8   ?    ?   219.452  -6.5731      181.105    -6.5731      59.5603     -6.5731      
1 1 1 23 9  9  o 0 14.7   7.5   ?    ?   66.458   -19.9348     25.861     -19.9348     10.4063     160.065      
1 1 1 23 9  10 o 0 48.7   8.9   ?    ?   208.128  14.5235      205.229    14.5235      91.7916     14.5235      
1 1 1 23 9  11 o 0 30.2   8.1   ?    ?   241.583  -177.925     113.3      -177.925     18.1525     2.07532      
1 1 1 23 9  12 o 0 14.6   8.2   ?    ?   187.225  103.165      29.6189    103.165      72.0462     -76.8351     
1 1 1 23 9  13 o 0 1.9    8.6   ?    ?   147.112  167.991      17.8632    -12.0091     101.23      -12.0091     
1 1 1 23 9  14 o 0 5.1    8.3   ?    ?   215.643  -119.992     33.2804    60.0081      184.505     60.0081      
1 1 1 23 9  15 o 0 45.9   10.5  ?    ?   220.833  -26.513      237.828    -26.513      80.3574     -26.513      
1 1 1 23 9  16 o 0 68.6   11.6  ?    ?   371.908  103.85       245.08     103.85       19.1578     -76.1504     
1 1 1 23 9  17 o 0 -7.1   8.6   ?    ?   132.199  -21.9336     37.6671    158.066      131.217     158.066      
1 1 1 23 9  18 o 0 -16.3  8.9   ?    ?   56.7429  116.984      19.4792    -63.0159     59.5432     -63.0159     
1 1 1 23 9  19 o 0 56.8   9.3   ?    ?   214.596  162.206      291.112    162.206      140.325     162.206      
1 1 1 23 9  20 o 0 126.2  12.8  ?    ?   403.506  -99.968      417.785    -99.968      141.875     -99.968      
1 1 1 23 9  21 o 0 -4.4   9     ?    ?   50.5941  131.822      0.38717    131.822      33.0628     -48.1785     
1 1 1 23 9  22 f 1 -7.8   9.9   ?    ?   101.974  67.69        7.56327    -112.31      74.3991     -112.31      
1 1 1 23 9  23 f 1 60.9   11.5  ?    ?   317.771  41.5601      251.838    41.5601      47.2687     41.5601      
1 1 1 23 9  24 o 0 62.9   10.4  ?    ?   242.172  5.90471      313.891    5.90471      167.415     5.90471      
1 1 1 23 9  25 o 0 37     10.1  ?    ?   258.957  -150.335     179.887    -150.335     24.4283     -150.335     
1 1 1 23 9  26 o 0 13.6   10.8  ?    ?   164.491  -145.985     86.4438    -145.985     2.52921     34.0146      
1 1 1 23 10 0  f 1 73.8   14.4  ?    ?   92.5958  -90          162.782    -90          112.577     -90          
1 1 1 23 10 1  o 0 18.5   8.1   ?    ?   362.776  -170.68      12.1525    9.31969      210.02      9.31969      
1 1 1 23 10 2  f 1 47.2   9.8   ?    ?   416.337  -177.34      106.331    -177.34      120.795     2.65989      
1 1 1 23 10 3  o 0 100.3  12.8  ?    ?   468.595  5.02439      247.532    5.02439      9.32745     -174.976     
1 1 1 23 10 4  o 0 5.5    7.8   ?    ?   85.2918  81.177       8.45147    -98.823      55.2818     -98.823      
1 1 1 23 10 5  o 0 4.5    8.5   ?    ?   202.095  -124.286     33.5522    55.7137      144.641     55.7137      
1 1 1 23 10 6  o 0 39.3   8.9   ?    ?   399.122  -85.4048     81.7563    -85.4048     137.779     94.5952      
1 1 1 23 10 7  o 0 43.3   8.1   ?    ?   203.446  -5.10625     184.222    -5.10626     73.8495     -5.10626     
1 1 1 23 10 8  o 0 24.2   7.6   ?    ?   235.901  118.696      83.4679    118.696      44.4769     -61.3044     
1 1 1 23 10 9  o 0 22.2   7.6   ?    ?   249.185  -176.417     63.2527    -176.417     71.8008     3.58346      
1 1 1 23 10 10 f 1 18.3   9.4   ?    ?   14.7118  -141.189     9.5217     -141.189     1.57767     -141.189     
1 1 1 23 10 11 o 0 109.1  14.8  ?    ?   337.185  -24.8095     331.523    -24.8095     140.847     -24.8095     
1 1 1 23 10 12 o 0 13.3   10.3  ?    ?   113.528  42.0369      37.4701    42.0369      26.6047     -137.963     
1 1 1 23 10 13 o 0 91.7   14.5  ?    ?   247.665  -28.646      400.474    -28.646      227.409     -28.646      
1 1 1 23 10 14 o 0 -2.8   11.1  ?    ?   127.804  -3.76698     7.0905     176.233      97.9466     176.233      
1 1 1 23 10 15 f 1 15.6   9.9   ?    ?   124.162  99.1599      74.1501    99.1599      13.6149     -80.8401     
1 1 1 23 10 16 o 0 7.8    9.4   ?    ?   281.754  174.62       38.6934    -5.38002     237.664     -5.38002     
1 1 1 23 10 17 o 0 12.1   9.8   ?    ?   167.984  153.54       45.9363    153.54       72.4871     -26.4595     
1 1 1 23 10 18 o 0 31.1   8.6   ?    ?   58.7672  85.283       155.42     85.283       114.17      85.283       
1 1 1 23 10 19 o 0 45.4   8.8   ?    ?   184.266  73.0104      258.749    73.0104      132.817     73.0104      
1 1 1 23 10 20 o 0 19.7   8     ?    ?   144.905  176.257      112.757    176.257      14.2345     176.257      
1 1 1 23 10 21 o 0 -4.5   9.7   ?    ?   18.2901  -7.52633     1.47295    -7.52633     10.5521     172.474      
1 1 1 23 10 22 o 0 2.3    8.2   ?    ?   69.0372  126.304      18.3231    126.304      26.2831     -53.6963     
1 1 1 23 10 23 o 0 35.5   9.2   ?    ?   359.508  -67.9912     109.874    -67.9912     120.912     112.009      
1 1 1 23 10 24 o 0 60.5   12.8  ?    ?   134.117  82.2855      336.774    82.2855      256.083     82.2855      
1 1 1 23 10 25 o 0 36.8   10.5  ?    ?   224.323  132.573      201.75     132.573      80.0766     132.573      
1 1 1 23 11 0  o 0 66     12    ?    ?   333.237  90           207.576    90           27.9631     90           
1 1 1 23 11 1  o 0 309.1  29.9  ?    ?   696.618  172.048      512.79     172.048      136         172.048      
1 1 1 23 11 2  o 0 147.7  13.3  ?    ?   467.313  117.8        358.14     117.8        104.641     117.8        
1 1 1 23 11 3  o 0 469.4  39.6  ?    ?   860.177  -20.6591     645.935    -20.6591     184.716     -20.6591     
1 1 1 23 11 4  o 0 100.3  11.5  ?    ?   432.575  -95.7821     270.061    -95.7821     37.7001     -95.7821     
1 1 1 23 11 5  o 0 25.6   7.5   ?    ?   255.869  146.746      84.137     146.746      53.4807     -33.2543     
1 1 1 23 11 6  o 0 288.5  25.4  ?    ?   667.73   -109.794     513.194    -109.794     153.775     -109.794     
1 1 1 23 11 7  o 0 33.2   8.7   ?    ?   185.148  80.006       140.483    80.006       40.7923     80.006       
1 1 1 23 11 8  o 0 22.9   8.9   ?    ?   65.1239  15.461       55.7202    15.461       20.6599     15.461       
1 1 1 23 11 9  o 0 16.2   8.1   ?    ?   126.681  7.48487      43.1095    7.48487      25.0515     -172.515     
1 1 1 23 11 10 o 0 72.3   10.7  ?    ?   252.979  109.035      268.058    109.035      125.8       109.035      
1 1 1 23 11 11 o 0 4      8.8   ?    ?   59.7286  -118.123     0.361757   -118.123     41.2616     61.8765      
1 1 1 23 11 12 o 0 100.2  13.7  ?    ?   412.211  -123.013     331.993    -123.013     45.257      -123.013     
1 1 1 23 11 13 o 0 10.9   15.8  ?    ?   86.4722  20.7136      60.1956    20.7136      1.02907     -159.286     
1 1 1 23 11 14 o 0 45.8   11.2  ?    ?   259.646  -144.936     212.018    -144.936     28.6638     -144.936     
1 1 1 23 11 15 o 0 -0.4   13.4  ?    ?   87.5825  26.1251      16.429     26.1251      45.2328     -153.875     
1 1 1 23 11 16 o 0 37.5   10.6  ?    ?   324.614  -45.1279     129.772    -45.1279     98.4912     134.872      
1 1 1 23 11 17 o 0 7      8.8   ?    ?   142.372  31.6945      18.9011    31.6945      80.831      -148.306     
1 1 1 23 11 18 o 0 5.8    10.8  ?    ?   90.446   -37.2706     34.8991    -37.2706     26.8199     142.729      
1 1 1 23 11 19 o 0 23.3   9.3   ?    ?   320.28   -21.0394     45.9689    -21.0394     171.574     158.961      
1 1 1 23 11 20 o 0 11.4   8.9   ?    ?   226.575  178.818      23.1618    178.818      125.731     -1.18221     
1 1 1 23 11 21 o 0 8.9    8     ?    ?   53.9435  110.549      40.4107    110.549      5.55508     110.549      
1 1 1 23 11 22 o 0 -9.4   9.4   ?    ?   60.3056  -77.4595     1.94313    102.541      40.6791     102.541      
1 1 1 23 11 23 o 0 1.7    9.6   ?    ?   200.565  -168.148     3.20382    -168.148     117.603     11.8522      
1 1 1 23 11 24 o 0 8.6    9.2   ?    ?   170.146  -101.533     59.6584    -101.533     32.7867     78.4674      
1 1 1 23 11 25 o 0 7.9    9.7   ?    ?   94.5059  9.95469      74.4119    9.95469      23.4385     9.95469      
1 1 1 23 12 0  o 0 25.1   12.2  ?    ?   280.666  90           101.898    90           45.946      -90          
1 1 1 23 12 1  o 0 14.3   7.7   ?    ?   76.2687  8.06143      25.9919    8.06143      14.3303     -171.939     
1 1 1 23 12 2  o 0 50.8   10.1  ?    ?   291.771  -154.746     177.764    -154.746     23.0372     -154.746     
1 1 1 23 12 3  f 1 32.6   9.3   ?    ?   221.871  32.718       127.18     32.718       9.53124     32.718       
1 1 1 23 12 4  o 0 31.1   7.9   ?    ?   338.461  -35.3945     77.834     -35.3945     102.451     144.606      
1 1 1 23 12 5  o 0 9.7    7.4   ?    ?   143.179  41.6699      6.28722    41.6699      70.0882     -138.33      
1 1 1 23 12 6  o 0 124.8  13.3  ?    ?   502.77   33.0527      293.325    33.0527      24.8849     33.0527      
1 1 1 23 12 7  o 0 21.2   8.2   ?    ?   119.813  -82.1287     80.9957    -82.1287     14.0404     -82.1287     
1 1 1 23 12 8  o 0 57.6   10.8  ?    ?   302.225  -63.5458     195.484    -63.5458     26.5901     -63.5458     
1 1 1 23 12 9  f 1 20.5   9.1   ?    ?   137.872  118.206      93.7064    118.206      1.62299     -61.7941     
1 1 1 23 12 10 o 0 12.8   8.5   ?    ?   66.8883  144.697      30.5085    144.697      15.8193     -35.3027     
1 1 1 23 12 11 o 0 38.7   9.7   ?    ?   217.988  124.762      201.109    124.762      47.2866     124.762      
1 1 1 23 12 12 o 0 27.2   9.9   ?    ?   130.979  -94.3        153.88     -94.3        61.6127     -94.3        
1 1 1 23 12 13 o 0 43.6   11    ?    ?   198.026  152.666      232.275    152.666      93.0704     152.666      
1 1 1 23 12 14 o 0 12.7   10.8  ?    ?   97.2806  -43.0733     61.5942    -43.0733     6.76901     136.927      
1 1 1 23 12 15 o 0 97     13.3  ?    ?   277.215  -131.659     399.608    -131.659     205.364     -131.659     
1 1 1 23 12 16 o 0 5.3    8.5   ?    ?   110.953  -103.506     14.0088    -103.506     63.4788     76.4937      
1 1 1 23 12 17 o 0 -13.8  10.8  ?    ?   16.0919  -14.5807     1.7581     165.419      12.7114     165.419      
1 1 1 23 12 18 f 1 7.1    8.1   ?    ?   206.101  -65.7306     1.07597    114.269      140.426     114.269      
1 1 1 23 12 19 o 0 11.7   8.8   ?    ?   107.565  107.633      62.7008    107.633      7.87969     -72.3672     
1 1 1 23 12 20 o 0 17.8   9.4   ?    ?   109.354  29.5537      111.962    29.5537      41.3712     29.5537      
1 1 1 23 12 21 f 1 22     9.4   ?    ?   214.952  -132.901     102.803    -132.901     34.8518     47.0992      
1 1 1 23 12 22 o 0 5      8.7   ?    ?   49.0955  166.665      32.2391    166.665      2.66428     166.665      
1 1 1 23 12 23 o 0 112.9  13.9  ?    ?   469.46   -169.935     341.638    -169.935     60.6125     -169.935     
1 1 1 23 12 24 o 0 18.1   8.9   ?    ?   87.1489  142.689      134.264    142.689      87.2021     142.689      
1 1 1 23 13 0  o 0 24.5   12    ?    ?   72.3121  90           41.6043    90           3.87269     90           
1 1 1 23 13 1  o 0 21.6   7.5   ?    ?   268.295  -45.5497     50.6643    -45.5497     89.8624     134.45       
1 1 1 23 13 2  o 0 159.5  15.4  ?    ?   397.619  -167.698     407.007    -167.698     188.426     -167.698     
1 1 1 23 13 3  o 0 12.4   7.6   ?    ?   253.395  138.369      1.07724    -41.6307     140.744     -41.6307     
1 1 1 23 13 4  o 0 23.2   7.4   ?    ?   307.94   68.41        47.3094    68.41        122.779     -111.59      
1 1 1 23 13 5  o 0 -6.2   9.6   ?    ?   221.745  39.0836      56.9469    -140.916     179.621     -140.916     
1 1 1 23 13 6  o 0 29.1   10.7  ?    ?   321.012  129.515      76.3836    129.515      144.25      -50.4846     
1 1 1 23 13 7  o 0 104.3  13.2  ?    ?   414.973  -96.1714     341.047    -96.1714     55.6591     -96.1714     
1 1 1 23 13 8  o 0 25.4   10    ?    ?   89.1088  116.544      110.446    116.544      49.1543     116.544      
1 1 1 23 13 9  o 0 57     11.4  ?    ?   323.298  -108.683     224.546    -108.683     2.235       71.3174      
1 1 1 23 13 10 o 0 123.7  13    ?    ?   526.484  6.15354      324.702    6.15354      44.336      -173.846     
1 1 1 23 13 11 f 1 78.6   9.3   ?    ?   387.638  24.9482      274.206    24.9482      3.50307     24.9482      
1 1 1 23 13 12 o 0 -9.3   7.7   ?    ?   25.1778  -157.301     8.45928    22.6995      26.0596     22.6995      
1 1 1 23 13 13 o 0 17.7   7.6   ?    ?   169.213  -141.585     85.9403    -141.585     32.3711     38.4148      
1 1 1 23 13 14 o 0 133.3  16.1  ?    ?   444.13   50.2602      397.254    50.2602      87.465      50.2602      
1 1 1 23 13 15 o 0 117.9  15    ?    ?   401.519  -137.756     387.14     -137.756     113.926     -137.756     
1 1 1 23 13 16 o 0 87.7   10.1  ?    ?   373.759  -170.624     317.221    -170.624     63.7104     -170.624     
1 1 1 23 13 17 o 0 10.5   10.2  ?    ?   57.4517  56.6355      41.1142    56.6355      2.28684     56.6355      
1 1 1 23 13 18 o 0 25.2   8.4   ?    ?   259.79   -120.204     103.063    -120.204     66.9773     59.7959      
1 1 1 23 13 19 o 0 122.7  13.9  ?    ?   504.116  -2.44452     343.926    -2.44452     19.1496     -2.44452     
1 1 1 23 13 20 f 1 142.7  15.8  ?    ?   437.986  68.655       433.012    68.655       152.934     68.655       
1 1 1 23 13 21 o 0 -4.8   9.2   ?    ?   149.708  -153.42      0.954172   26.5796      91.0541     26.5796      
1 1 1 23 13 22 o 0 18.6   9.8   ?    ?   139.564  65.9383      113.352    65.9383      29.8391     65.9383      
1 1 1 23 13 23 f 1 20.5   9.4   ?    ?   196.807  -120.603     116.993    -120.603     10.9688     -120.603     
1 1 1 23 14 0  o 0 -2.8   9.1   ?    ?   57.3881  -90          6.90175    -90          31.5894     90           
1 1 1 23 14 1  o 0 -3.5   7.9   ?    ?   88.3519  14.1378      24.6178    -165.862     84.1126     -165.862     
1 1 1 23 14 2  o 0 138.6  14.3  ?    ?   329.754  -92.8989     485.372    -92.8989     262.569     -92.8989     
1 1 1 23 14 3  o 0 7.7    7.3   ?    ?   228.198  142.089      26.7739    -37.9105     181.394     -37.9105     
1 1 1 23 14 4  f 1 2.4    7.6   ?    ?   132.002  137.995      22.0092    -42.0051     111.423     -42.0051     
1 1 1 23 14 5  o 0 -13.7  9.6   ?    ?   37.7047  -52.8564     13.0583    127.144      38.7089     127.144      
1 1 1 23 14 6  o 0 90.9   13.2  ?    ?   244.812  -94.8581     395.215    -94.8581     225.104     -94.8581     
1 1 1 23 14 7  o 0 7.5    9.5   ?    ?   172.957  -118.708     12.1932    -118.708     108.081     61.2921      
1 1 1 23 14 8  o 0 81.3   10    ?    ?   330.7    111.335      316.466    111.335      86.4281     111.335      
1 1 1 23 14 9  f 1 37.1   7.4   ?    ?   181.509  -41.2871     210.319    -41.2871     84.403      -41.2871     
1 1 1 23 14 10 o 0 37     8.7   ?    ?   223.057  54.7281      187.53     54.7281      32.484      54.7281      
1 1 1 23 14 11 o 0 82.2   9.4   ?    ?   416.037  62.1173      266.011    62.1173      23.5148     -117.883     
1 1 1 23 14 12 o 0 39.6   8.4   ?    ?   263.143  -30.578      181.709    -30.578      1.15276     149.422      
1 1 1 23 14 13 o 0 3.4    7.7   ?    ?   95.7724  -69.4211     2.89017    -69.4211     63.5398     110.579      
1 1 1 23 14 14 o 0 30.5   8.4   ?    ?   106.872  -75.8335     195.689    -75.8335     123.336     -75.8335     
1 1 1 23 14 15 o 0 62.1   11.9  ?    ?   257.83   -69.0419     283.903    -69.0419     109.818     -69.0419     
1 1 1 23 14 16 o 0 7      10.1  ?    ?   77.0757  139.078      37.8685    139.078      12.5797     -40.9219     
1 1 1 23 14 17 o 0 27.1   7.4   ?    ?   260.419  71.241       122.954    71.241       46.9004     -108.759     
1 1 1 23 14 18 o 0 9.1    7.5   ?    ?   107.88   -154.627     51.0706    -154.627     18.223      25.3729      
1 1 1 23 14 19 o 0 44.1   9.9   ?    ?   150.549  -20.6386     263.413    -20.6386     167.132     -20.6386     
1 1 1 23 14 20 o 0 66.9   11.3  ?    ?   283.646  -81.4714     301.742    -81.4714     131.365     -81.4714     
1 1 1 23 14 21 o 0 -4.4   8.3   ?    ?   37.5318  16.9334      5.3699     16.9334      17.0568     -163.067     
1 1 1 23 14 22 o 0 11.6   9.2   ?    ?   77.4458  -126.93      90.2435    -126.93      48.4509     -126.93      
1 1 1 23 15 0  o 0 30.7   9.7   ?    ?   324.27   -90          160.586    -90          58.9692     90           
1 1 1 23 15 1  o 0 10.4   7.6   ?    ?   44.1256  164.514      21.2794    164.514      8.72099     -15.4862     
1 1 1 23 15 2  o 0 38.2   8.8   ?    ?   110.638  29.9753      221.246    29.9753      145.756     29.9753      
1 1 1 23 15 3  o 0 16.5   8.4   ?    ?   126.579  -104.479     77.8868    -104.479     8.7379      75.5211      
1 1 1 23 15 4  o 0 25.3   8.6   ?    ?   157.862  -129.612     137.232    -129.612     28.9338     -129.612     
1 1 1 23 15 5  o 0 34.2   9     ?    ?   312.417  -124.087     120.305    -124.087     94.4359     55.9128      
1 1 1 23 15 6  o 0 3.5    8.9   ?    ?   71.0924  20.2852      6.82992    20.2852      42.1051     -159.715     
1 1 1 23 15 7  o 0 358.8  33    ?    ?   718.879  91.2962      657.419    91.2962      162.131     91.2962      
1 1 1 23 15 8  f 1 27.7   9.1   ?    ?   139.658  -51.6714     160.961    -51.6714     64.7321     -51.6714     
1 1 1 23 15 9  o 0 49.9   8.8   ?    ?   234.693  54.6402      246.102    54.6402      83.9736     54.6402      
1 1 1 23 15 10 o 0 27.2   7.9   ?    ?   203.867  140.242      142.479    140.242      1.70694     140.242      
1 1 1 23 15 11 o 0 181.1  16    ?    ?   445.388  -69.3064     515.719    -69.3064     208.446     -69.3064     
1 1 1 23 15 12 o 0 19.8   8.2   ?    ?   139.006  -98.4556     114.006    -98.4556     20.3128     -98.4556     
1 1 1 23 15 13 o 0 23.3   11.5  ?    ?   185.747  102.541      113.639    102.541      11.3432     -77.4593     
1 1 1 23 15 14 o 0 33.4   9.8   ?    ?   176.978  -122.247     195.345    -122.247     79.7992     -122.247     
1 1 1 23 15 15 o 0 43.2   7.9   ?    ?   178.543  -37.8055     251.756    -37.8055     135.486     -37.8055     
1 1 1 23 15 16 o 0 47.5   8.6   ?    ?   273.433  -55.7368     220.957    -55.7368     43.4243     -55.7368     
1 1 1 23 15 17 o 0 16.3   8.4   ?    ?   173.514  -178.98      85.3029    -178.98      25.7007     1.02016      
1 1 1 23 15 18 o 0 -5.5   9.1   ?    ?   15.2729  -166.721     1.11489    -166.721     8.61842     13.2789      
1 1 1 23 15 19 f 1 144.3  14.4  ?    ?   447.501  166.715      444.147    166.715      176.836     166.715      
1 1 1 23 15 20 o 0 4.5    8     ?    ?   155.083  -66.1551     40.126     -66.1552     43.8328     113.845      
1 1 1 23 15 21 o 0 -5.5   8.1   ?    ?   74.5716  157.64       16.5984    157.64       23.5662     -22.3602     
1 1 1 23 16 0  f 1 9.8    10    ?    ?   49.0366  90           18.2217    90           14.5318     -90          
1 1 1 23 16 1  o 0 11.3   7.9   ?    ?   67.8112  -10.9568     33.3233    -10.9569     12.2844     169.043      
1 1 1 23 16 2  o 0 15.8   8     ?    ?   183.275  84.5886      63.4925    84.5886      60.5067     -95.4114     
1 1 1 23 16 3  o 0 3      8.1   ?    ?   123.273  116.417      0.493017   -63.5834     84.1619     -63.5834     
1 1 1 23 16 4  o 0 -5     8     ?    ?   75.1124  16.2991      15.1594    -163.701     66.2745     -163.701     
1 1 1 23 16 5  o 0 10.7   9.8   ?    ?   130.976  99.5838      45.3512    99.5838      43.9678     -80.4162     
1 1 1 23 16 6  o 0 16.6   9.9   ?    ?   116.942  118.977      82.5689    118.977      2.69337     118.977      
1 1 1 23 16 7  o 0 11.9   7.4   ?    ?   147.129  65.7701      45.2075    65.7701      55.398      -114.23      
1 1 1 23 16 8  f 1 26.6   7.9   ?    ?   324.161  -38.9254     70.6801    -38.9254     150.547     141.075      
1 1 1 23 16 9  o 0 8.2    7.5   ?    ?   99.2763  -168.255     33.1132    -168.255     33.348      11.7451      
1 1 1 23 16 10 o 0 44.7   11.7  ?    ?   295.27   -96.0684     182.411    -96.0684     15.203      83.9316      
1 1 1 23 16 11 o 0 15.9   12.6  ?    ?   117.939  -151.043     87.3476    -151.043     8.47283     -151.043     
1 1 1 23 16 12 o 0 76.2   10.7  ?    ?   351.218  122.136      289.868    122.136      61.731      122.136      
1 1 1 23 16 13 o 0 4.9    8     ?    ?   91.8882  146.365      21.6314    146.365      37.9603     -33.6349     
1 1 1 23 16 14 o 0 0.1    7.8   ?    ?   89.4486  -71.9811     1.83068    -71.9811     56.0617     108.019      
1 1 1 23 16 15 o 0 13.9   8.5   ?    ?   117.883  -61.1605     83.6548    -61.1605     8.40722     -61.1605     
1 1 1 23 16 16 o 0 3.7    6.9   ?    ?   129.405  64.4676      11.3177    64.4676      71.0479     -115.532     
1 1 1 23 16 17 o 0 59     9.5   ?    ?   265.724  -143.741     285.458    -143.741     126.368     -143.741     
1 1 1 23 16 18 o 0 32.1   9.3   ?    ?   220.962  39.1782      174.447    39.1782      42.6487     39.1782      
1 1 1 23 16 19 o 0 23     9.2   ?    ?   198.385  -137.71      134.929    -137.71      27.9023     -137.71      
1 1 1 23 16 20 o 0 41.3   8.2   ?    ?   247.27   166.165      229.721    166.165      96.9333     166.165      
1 1 1 23 17 0  f 1 29.9   11.2  ?    ?   357.084  90           148.334    90           87.9621     -90          
1 1 1 23 17 1  f 1 7.5    8.1   ?    ?   266.379  169.196      33.5777    -10.8044     210.649     -10.8044     
1 1 1 23 17 2  f 1 132.8  14.2  ?    ?   254.126  -57.7858     498.492    -57.7858     328.9       -57.7858     
1 1 1 23 17 3  o 0 13.2   9.4   ?    ?   242.243  -45.368      17.0712    -45.368      145.554     134.632      
1 1 1 23 17 4  o 0 18.2   8.4   ?    ?   95.0762  109.244      90.1294    109.244      26.1216     109.244      
1 1 1 23 17 5  f 1 -0.1   10.4  ?    ?   96.6181  -71.041      11.8836    -71.041      51.7302     108.959      
1 1 1 23 17 6  o 0 28.6   8.1   ?    ?   253.353  84.5135      127.311    84.5135      40.2258     -95.4865     
1 1 1 23 17 7  o 0 0.9    6.9   ?    ?   118.834  -96.8851     10.217     83.1149      88.8998     83.1149      
1 1 1 23 17 8  o 0 1.1    10.4  ?    ?   103.971  67.041       15.0958    67.041       53.8004     -112.959     
1 1 1 23 17 9  o 0 9.8    10.1  ?    ?   173.82   -157.601     34.6368    -157.601     80.5827     22.3986      
1 1 1 23 17 10 o 0 10.4   7.7   ?    ?   53.0008  -116.252     37.8633    -116.252     3.70487     -116.252     
1 1 1 23 17 11 o 0 69.8   10.8  ?    ?   263.938  73.1916      313.022    73.1916      143.016     73.1916      
1 1 1 23 17 12 o 0 20.8   8.8   ?    ?   204.423  38.9463      96.7596    38.9463      34.7777     -141.054     
1 1 1 23 17 13 o 0 -1     8.5   ?    ?   82.2408  -96.2892     9.37386    -96.2892     42.8691     83.7108      
1 1 1 23 17 14 o 0 17.7   8     ?    ?   166.13   85.9618      98.2238    85.9618      7.10935     -94.0382     
1 1 1 23 17 15 o 0 1.9    8.6   ?    ?   98.3521  -59.46       28.6831    -59.46       30.0311     120.54       
1 1 1 23 17 16 o 0 33.9   8.4   ?    ?   181.503  167.616      207.247    167.616      99.1909     167.616      
1 1 1 23 17 17 o 0 4.8    7.6   ?    ?   72.2643  21.7668      50.3971    21.7668      11.4478     21.7668      
1 1 1 23 17 18 o 0 -13.2  9.1   ?    ?   90.0483  162.25       7.1479     162.25       41.2111     -17.7501     
1 1 1 23 18 0  o 0 8.2    13.6  ?    ?   28.8444  -90          12.461     -90          6.03523     90           
1 1 1 23 18 1  o 0 40     7.8   ?    ?   304.976  -178.434     157.775    -178.434     38.7138     1.56644      
1 1 1 23 18 2  o 0 101.9  12.5  ?    ?   439.506  -136.048     302.845    -136.048     18.509      -136.048     
1 1 1 23 18 3  o 0 68.8   11.4  ?    ?   370.034  49.0078      235.524    49.0078      4.72106     -130.992     
1 1 1 23 18 4  o 0 10.3   8.3   ?    ?   169.497  69.062       33.982     69.062       76.3962     -110.938     
1 1 1 23 18 5  o 0 9.4    7     ?    ?   134.706  33.5032      34.2997    33.5032      53.6398     -146.497     
1 1 1 23 18 6  o 0 17.8   9.6   ?    ?   127.525  -167.07      99.0158    -167.07      17.9027     -167.07      
1 1 1 23 18 7  o 0 53.8   10    ?    ?   294.872  -105.766     229.287    -105.766     41.4587     -105.766     
1 1 1 23 18 8  o 0 9      8.8   ?    ?   59.647   -172.408     36.6377    -172.408     1.39336     7.59216      
1 1 1 23 18 9  o 0 -9.9   7.7   ?    ?   92.0416  -120.671     22.2935    59.329       81.0086     59.329       
1 1 1 23 18 10 o 0 1.9    7.2   ?    ?   138.223  -74.0661     2.45547    -74.0661     84.7239     105.934      
1 1 1 23 18 11 o 0 98.6   12.3  ?    ?   329.643  15.5122      372.09     15.5122      164.267     15.5122      
1 1 1 23 18 12 o 0 -0.2   10.1  ?    ?   68.0743  3.53123      18.8417    3.53123      24.038      -176.469     
1 1 1 23 18 13 o 0 -11.4  10.4  ?    ?   58.636   -16.5402     6.68806    -16.5402     28.1225     163.46       
1 1 1 23 18 14 o 0 15.8   7.5   ?    ?   93.2776  105.47       106.169    105.47       50.8906     105.47       
1 1 1 23 18 15 o 0 29.3   8     ?    ?   205.768  -30.0826     169.488    -30.0826     47.8123     -30.0826     
1 1 1 23 18 16 o 0 -0.5   7.7   ?    ?   135.823  -11.3225     20.956     -11.3225     51.7973     168.677      
1 1 1 23 18 17 o 0 7.3    7.8   ?    ?   87.7381  33.9189      64.9202    33.9189      18.0678     33.9189      
1 1 1 23 19 0  o 0 12.5   9.8   ?    ?   51.1042  -90          27.6968    -90          3.77004     90           
1 1 1 23 19 1  o 0 21.3   9.2   ?    ?   216.465  118.305      90.1519    118.305      43.7915     -61.6954     
1 1 1 23 19 2  o 0 20.6   10    ?    ?   171.177  131.322      102.849    131.322      3.53145     -48.6778     
1 1 1 23 19 3  o 0 26.1   10.4  ?    ?   232.563  -71.7305     109.176    -71.7305     35.898      108.27       
1 1 1 23 19 4  f 1 5.2    7.5   ?    ?   148.336  -128.182     11.4916    -128.182     81.0997     51.8183      
1 1 1 23 19 5  o 0 2.9    8.3   ?    ?   127.596  -70.1434     9.46682    -70.1434     70.5977     109.857      
1 1 1 23 19 6  o 0 51.9   10.1  ?    ?   337.32   -139.115     197.86     -139.115     11.8586     40.885       
1 1 1 23 19 7  o 0 113    13.4  ?    ?   604.298  122.179      244.704    122.179      131.617     -57.8206     
1 1 1 23 19 8  o 0 18.3   10.7  ?    ?   148.53   59.2733      101.37     59.2733      8.76743     59.2733      
1 1 1 23 19 9  o 0 24.8   8.4   ?    ?   107.792  88.0283      158.651    88.0283      91.4027     88.0283      
1 1 1 23 19 10 o 0 8.7    7.9   ?    ?   231.322  105.003      3.73906    105.003      140.605     -74.9966     
1 1 1 23 19 11 o 0 85.9   14.1  ?    ?   372.936  -65.844      306.062    -65.844      86.5031     -65.844      
1 1 1 23 19 12 o 0 6.8    9.7   ?    ?   297.429  -115.616     24.734     64.3843      199.713     64.3843      
1 1 1 23 19 13 o 0 -3.1   8     ?    ?   90.9848  -123.338     22.8771    -123.338     25.6807     56.6616      
1 1 1 23 19 14 o 0 2.2    7.3   ?    ?   98.3839  -124.097     36.145     -124.097     16.2765     55.9028      
1 1 1 23 19 15 f 1 10     10.5  ?    ?   113.762  56.5805      83.4934    56.5805      23.1591     56.5805      
1 1 1 23 20 0  o 0 16.1   10.4  ?    ?   74.6614  -90          53.4196    -90          8.56211     -90          
1 1 1 23 20 1  o 0 32.2   10.8  ?    ?   312.728  13.627       102.078    13.627       86.779      -166.373     
1 1 1 23 20 2  o 0 19.4   9.7   ?    ?   116.096  162.574      114.152    162.574      43.723      162.574      
1 1 1 23 20 3  o 0 26.6   8.6   ?    ?   229.391  -164.928     123.586    -164.928     16.1269     15.0716      
1 1 1 23 20 4  o 0 -7.4   13.5  ?    ?   113.604  -142.187     17.5992    -142.187     51.8293     37.8127      
1 1 1 23 20 5  o 0 -13.2  10.8  ?    ?   37.5805  -26.2146     0.125605   -26.2146     22.9075     153.785      
1 1 1 23 20 6  o 0 -8.3   8.7   ?    ?   82.3365  43.8014      1.25713    43.8014      46.4795     -136.199     
1 1 1 23 20 7  o 0 7.2    8.4   ?    ?   124.472  83.8412      48.5093    83.8412      23.7889     -96.1588     
1 1 1 23 20 8  o 0 8.2    7.9   ?    ?   216.281  71.7809      18.0847    71.7809      107.707     -108.219     
1 1 1 23 20 9  o 0 12.2   7.8   ?    ?   153.994  17.0398      67.956     17.0398      21.6851     -162.96      
1 1 1 23 20 10 o 0 56.2   11.6  ?    ?   379.712  109.3        192.873    109.3        28.24       -70.7        
1 1 1 23 20 11 f 1 9.2    10.6  ?    ?   228.679  142.508      38.1018    142.508      82.5185     -37.4921     
1 1 1 23 20 12 f 1 4.7    9.1   ?    ?   215.966  -52.4791     19.4698    -52.4791     94.3801     127.521      
1 1 1 23 21 0  o 0 11.7   14.2  ?    ?   38.888   -90          24.2032    -90          2.45378     -90          
1 1 1 23 21 1  o 0 13.8   10.2  ?    ?   109.899  86.8032      84.1778    86.8032      22.3842     86.8032      
1 1 1 23 21 2  o 0 83.3   11.9  ?    ?   489.184  164.359      228.147    164.359      48.2203     -15.6408     
1 1 1 23 21 3  o 0 13.2   8.2   ?    ?   121.497  121.279      80.7174    121.279      11.7897     121.279      
1 1 1 23 21 4  o 0 4.2    8.4   ?    ?   56.296   127.193      28.2952    127.193      3.75837     -52.8067     
1 1 1 23 21 5  o 0 17.4   7.5   ?    ?   126.16   -102.05      111.724    -102.05      39.6701     -102.05      
1 1 1 23 21 6  o 0 26.4   8.8   ?    ?   182.946  -79.8187     162.366    -79.8187     67.2262     -79.8187     
1 1 1 23 21 7  o 0 12.3   10.7  ?    ?   142.168  -10.0372     85.793     -10.0372     11.7099     -10.0372     
1 1 1 23 21 8  o 0 5.7    7.5   ?    ?   99.8422  104.655      53.148     104.655      1.04153     104.655      
1 1 1 23 21 9  o 0 5.5    8.7   ?    ?   27.7702  143.865      29.3799    143.865      14.8721     143.865      
1 1 1 23 22 0  f 1 9.2    10.6  ?    ?   42.7849  90           26.445     90           5.07548     90           
1 1 1 23 22 1  o 0 2.6    8.2   ?    ?   16.9001  -65.13       13.0676    -65.13       4.55769     -65.13       
1 1 1 23 22 2  o 0 22.6   8.5   ?    ?   160.844  -85.4836     141.944    -85.4836     60.5492     -85.4836     
1 1 1 23 22 3  o 0 -1     9.6   ?    ?   205.832  78.1218      5.59913    78.1218      99.0199     -101.878     
1 1 1 23 22 4  o 0 1.4    9.4   ?    ?   51.7847  -19.8564     35.7755    -19.8564     9.35375     -19.8564     
1 1 1 24 0  0  o 0 342.7  65.1  ?    ?   525.717  -4.97177e-16 483.119    0            176.84      8.61084e-16  
1 1 1 24 0  1  f 1 6.6    9.5   ?    ?   173.261  -90          24.985     -90          76.0747     90           
1 1 1 24 0  2  o 0 7.6    9.9   ?    ?   51.7027  0            8.68711    0            21.6409     180          
1 1 1 24 0  3  o 0 39.3   10.3  ?    ?   161.195  90           132.061    90           37.276      90           
1 1 1 24 0  4  o 0 151.8  23.3  ?    ?   158.039  180          324.547    180          231.449     180          
1 1 1 24 0  5  o 0 42.9   13.1  ?    ?   102.123  -90          103.069    -90          42.8368     -90          
1 1 1 24 0  6  o 0 2.5    12.2  ?    ?   52.3056  0            7.16813    0            23.7021     180          
1 1 1 24 0  7  o 0 -6.5   10.5  ?    ?   110.496  -90          8.6249     -90          54.2986     90           
1 1 1 24 0  8  o 0 76.6   16.5  ?    ?   279.532  180          233.429    180          74.3092     180          
1 1 1 24 0  9  o 0 66.4   14.2  ?    ?   24.4695  -90          50.4745    -90          36.558      -90          
1 1 1 24 0  10 o 0 21.7   12.2  ?    ?   320.123  -180         95.315     180          86.4966     7.84787e-15  
1 1 1 24 0  11 o 0 50.3   16.2  ?    ?   129.558  -90          148.061    -90          75.6342     -90          
1 1 1 24 0  12 o 0 20.5   14    ?    ?   172.011  180          68.1703    180          27.7683     1.72258e-14  
1 1 1 24 0  13 o 0 273.2  32.6  ?    ?   892.445  90           443.981    90           52.4137     -90          
1 1 1 24 0  14 o 0 44.9   12.3  ?    ?   446.326  -9.98098e-19 173.858    0            85.0333     180          
1 1 1 24 0  15 o 0 89.1   14.4  ?    ?   447.154  -90          312.192    -90          8.53051     90           
1 1 1 24 0  16 o 0 -10.8  11.4  ?    ?   196.476  0            21.0027    0            119.35      180          
1 1 1 24 0  17 o 0 -0.1   11    ?    ?   119.312  -90          25.1743    -90          61.3823     90           
1 1 1 24 0  18 f 1 291.5  34.4  ?    ?   639.992  180          553.278    180          92.4547     180          
1 1 1 24 0  19 o 0 20.6   12.8  ?    ?   22.9996  90           20.6981    90           4.14711     90           
1 1 1 24 0  20 o 0 2      12.8  ?    ?   9.83534  0            2.97772    0            4.059       180          
1 1 1 24 0  21 o 0 6.2    12.6  ?    ?   33.0642  90           13.371     90           9.62629     -90          
1 1 1 24 0  22 o 0 22     13.5  ?    ?   164.004  180          106.081    180          4.09816     1.81628e-13  
1 1 1 24 0  23 o 0 -2     12.3  ?    ?   7.78174  -90          2.09951    -90          3.09089     90           
1 1 1 24 0  24 o 0 -28    12.7  ?    ?   31.9912  180          4.12066    180          16.8147     1.71953e-15  
1 1 1 24 0  25 o 0 -4.7   13.6  ?    ?   62.0411  -90          19.8438    -90          18.1611     90           
1 1 1 24 1  0  o 0 192    23.4  ?    ?   352.268  -9.97102e-14 372.983    0            168.167     1.2144e-13   
1 1 1 24 1  1  o 0 97.1   10    ?    ?   351.393  2.22355      295.299    2.22355      90.2337     2.22355      
1 1 1 24 1  2  o 0 21.4   7.6   ?    ?   150.429  95.7113      59.216     95.7113      28.8372     -84.2887     
1 1 1 24 1  3  o 0 -5.5   6.9   ?    ?   75.0444  91.6775      29.7222    -88.3225     73.7548     -88.3225     
1 1 1 24 1  4  o 0 100.9  14.5  ?    ?   341.782  -146.996     309.04     -146.996     108.139     -146.996     
1 1 1 24 1  5  o 0 35.9   7.2   ?    ?   347.837  87.9481      85.0364    87.9481      119.671     -92.0519     
1 1 1 24 1  6  o 0 -3.2   7.2   ?    ?   75.5579  43.2896      24.0266    -136.71      66.9552     -136.71      
1 1 1 24 1  7  o 0 -6.8   8.7   ?    ?   180.037  41.5712      58.7396    -138.429     161.041     -138.429     
1 1 1 24 1  8  o 0 269.2  24.1  ?    ?   548.224  149.104      562.444    149.104      251.049     149.104      
1 1 1 24 1  9  o 0 51.4   10.8  ?    ?   292.882  121.804      182.522    121.804      16.3079     121.804      
1 1 1 24 1  10 o 0 36.7   9.7   ?    ?   232.517  25.903       141.127    25.903       9.34826     25.903       
1 1 1 24 1  11 o 0 7.1    9.1   ?    ?   136.461  54.8654      1.13873    54.8654      74.99       -125.135     
1 1 1 24 1  12 o 0 11.6   10.4  ?    ?   155.243  94.6683      23.0646    94.6683      63.3479     -85.3317     
1 1 1 24 1  13 o 0 141.8  17.4  ?    ?   639.482  80.8925      270.262    80.8925      84.7364     -99.1075     
1 1 1 24 1  14 o 0 164.2  14.3  ?    ?   508.151  -35.0664     380.7      -35.0664     86.5014     -35.0664     
1 1 1 24 1  15 o 0 -13.9  7.8   ?    ?   99.6475  175.325      46.266     -4.67467     117.609     -4.67467     
1 1 1 24 1  16 o 0 -18.7  8.1   ?    ?   65.6854  -112.667     32.0736    67.3333      78.9153     67.3333      
1 1 1 24 1  17 o 0 41.3   12.6  ?    ?   205.284  -164.717     219.365    -164.717     70.681      -164.717     
1 1 1 24 1  18 o 0 4.5    8.8   ?    ?   54.3561  -101.02      8.79226    -101.02      30.3874     78.9796      
1 1 1 24 1  19 o 0 4.7    8.5   ?    ?   22.9278  122.679      5.75021    122.679      10.7255     -57.3208     
1 1 1 24 1  20 f 1 13.3   8.7   ?    ?   222.649  -158.704     28.6911    -158.704     129.984     21.2956      
1 1 1 24 1  21 o 0 23.9   9     ?    ?   108.603  61.2297      148.856    61.2297      73.4098     61.2297      
1 1 1 24 1  22 o 0 38     9.9   ?    ?   69.5334  37.2353      226.019    37.2353      179.356     37.2353      
1 1 1 24 1  23 o 0 17.1   9.6   ?    ?   118.042  119.683      99.4606    119.683      20.8028     119.683      
1 1 1 24 1  24 o 0 19.7   9.2   ?    ?   178.663  -5.19665     107.359    -5.19665     9.46143     174.803      
1 1 1 24 1  25 o 0 18.3   9.7   ?    ?   84.9367  38.887       122.711    38.887       70.7174     38.887       
1 1 1 24 1  26 o 0 15.6   12    ?    ?   114.323  10.3102      99.1233    10.3102      29.7356     10.3102      
1 1 1 24 1  27 o 0 29.1   11.5  ?    ?   260.571  -117.381     131.692    -117.381     10.6574     62.6191      
1 1 1 24 2  0  o 0 40.5   12.7  ?    ?   56.2938  180          58.2106    180          25.5714     -180         
1 1 1 24 2  1  o 0 131.4  11.7  ?    ?   349.894  -4.44828     382.601    -4.44828     178.987     -4.44828     
1 1 1 24 2  2  o 0 5.3    7.4   ?    ?   191.076  72.03        40.7442    -107.97      152.271     -107.97      
1 1 1 24 2  3  o 0 2.5    7.1   ?    ?   248.08   -130.992     75.1314    49.0081      220.276     49.0081      
1 1 1 24 2  4  o 0 163.6  14.4  ?    ?   569.311  -81.855      342.281    -81.855      8.59848     -81.855      
1 1 1 24 2  5  o 0 223    17.1  ?    ?   703.246  -4.45775     385.234    -4.45775     27.4491     175.542      
1 1 1 24 2  6  o 0 2.9    8.7   ?    ?   182.985  113.495      33.5071    -66.5051     137.174     -66.5051     
1 1 1 24 2  7  o 0 12     8.3   ?    ?   193.19   125.427      5.93907    125.427      103.524     -54.5728     
1 1 1 24 2  8  o 0 64.1   9.9   ?    ?   450.811  -96.8201     155.606    -96.8201     99.7386     83.1799      
1 1 1 24 2  9  o 0 82.9   12.6  ?    ?   444.784  120.911      216.902    120.911      34.8186     -59.0895     
1 1 1 24 2  10 o 0 80.2   13.6  ?    ?   470.875  61.3637      192.966    61.3637      73.174      -118.636     
1 1 1 24 2  11 o 0 27.8   10    ?    ?   263.123  67.8883      88.265     67.8883      58.1342     -112.112     
1 1 1 24 2  12 o 0 52.1   11    ?    ?   341.692  150.454      168.091    150.454      21.6078     -29.5465     
1 1 1 24 2  13 o 0 482.1  38.7  ?    ?   934.368  -111.522     641.846    -111.522     124.464     -111.522     
1 1 1 24 2  14 o 0 24.3   8.9   ?    ?   267.317  26.1103      67.1278    26.1103      87.257      -153.89      
1 1 1 24 2  15 o 0 28.8   9.1   ?    ?   194.146  99.0753      146.386    99.0753      7.71616     99.0753      
1 1 1 24 2  16 o 0 91.7   11.6  ?    ?   414.825  9.00235      311.482    9.00235      16.3388     9.00235      
1 1 1 24 2  17 o 0 66.2   10.6  ?    ?   351.13   -127.462     254.82     -127.462     1.06182     -127.462     
1 1 1 24 2  18 o 0 0.1    8.6   ?    ?   25.3491  -88.5225     0.684662   91.4775      18.9179     91.4775      
1 1 1 24 2  19 o 0 12.6   8.4   ?    ?   128.005  54.2988      57.432     54.2988      34.3683     -125.701     
1 1 1 24 2  20 o 0 17.3   8.7   ?    ?   110.465  -109.225     91.0111    -109.225     12.2313     -109.225     
1 1 1 24 2  21 o 0 27.8   9.4   ?    ?   188.707  77.674       153.88     77.674       23.018      77.674       
1 1 1 24 2  22 o 0 23.8   9.1   ?    ?   79.7988  136.723      140.895    136.723      87.4324     136.723      
1 1 1 24 2  23 o 0 -8.9   9.3   ?    ?   80.7894  143.529      9.33851    -36.4709     63.0904     -36.4709     
1 1 1 24 2  24 f 1 19.9   9.8   ?    ?   131.873  -51.9366     123.434    -51.9366     37.5497     -51.9366     
1 1 1 24 2  25 o 0 12.5   9.9   ?    ?   109.491  -148.214     86.8673    -148.214     19.9287     -148.214     
1 1 1 24 2  26 o 0 9.1    12    ?    ?   141.405  -178.435     80.5959    -178.435     2.73549     -178.435     
1 1 1 24 2  27 f 1 5.3    14.1  ?    ?   156.84   -49.7906     65.6549    -49.7906     19.7195     130.209      
1 1 1 24 3  0  o 0 247.6  49.1  ?    ?   721.931  180          407.944    180          9.1545      1.14605e-13  
1 1 1 24 3  1  o 0 32.6   8.2   ?    ?   269.637  -142.062     100.217    -142.062     56.137      37.9376      
1 1 1 24 3  2  o 0 43.6   7.8   ?    ?   273.266  -61.1145     149.594    -61.1145     9.34001     118.885      
1 1 1 24 3  3  o 0 166.4  15.1  ?    ?   556.826  -96.5735     352.707    -96.5735     28.0788     -96.5735     
1 1 1 24 3  4  o 0 984.3  68.7  ?    ?   1226.76  -66.163      945.234    -66.163      228.754     -66.163      
1 1 1 24 3  5  f 1 386.1  30.2  ?    ?   632.674  175.36       689.164    175.36       333.151     175.36       
1 1 1 24 3  6  o 0 46.7   8.6   ?    ?   529.863  107.913      50.4949    107.913      248.641     -72.0871     
1 1 1 24 3  7  f 1 23.4   7.6   ?    ?   121.967  5.32083      77.4231    5.32083      8.73111     5.32083      
1 1 1 24 3  8  o 0 151    15    ?    ?   703.179  137.662      255.165    137.662      141.764     -42.3385     
1 1 1 24 3  9  o 0 212.3  21    ?    ?   587.387  -4.07115     436.79     -4.07115     105.484     -4.07115     
1 1 1 24 3  10 o 0 75.6   11.1  ?    ?   478.724  -53.9185     183.136    -53.9185     82.8054     126.081      
1 1 1 24 3  11 f 1 0.8    9.4   ?    ?   87.8261  0.109584     9.78673    -179.89      58.3687     -179.89      
1 1 1 24 3  12 o 0 78.9   12.9  ?    ?   327.69   18.2951      264.128    18.2951      82.7792     18.2951      
1 1 1 24 3  13 o 0 117.6  13.7  ?    ?   511.4    -69.1036     280.405    -69.1036     1.89381     110.896      
1 1 1 24 3  14 o 0 108.7  13.4  ?    ?   451.569  164.245      278.549    164.245      18.5375     164.245      
1 1 1 24 3  15 o 0 64.9   9.7   ?    ?   180.565  -11.4286     342.085    -11.4286     213.493     -11.4286     
1 1 1 24 3  16 o 0 95.4   11.7  ?    ?   354.438  97.5011      362.176    97.5011      105.65      97.5011      
1 1 1 24 3  17 o 0 58     9.8   ?    ?   302.561  99.7934      251.258    99.7934      33.1961     99.7934      
1 1 1 24 3  18 o 0 95.6   11.4  ?    ?   415.339  -97.7569     320.212    -97.7569     21.5952     -97.7569     
1 1 1 24 3  19 o 0 42.6   9.2   ?    ?   117.925  -164.787     262.178    -164.787     177.82      -164.787     
1 1 1 24 3  20 o 0 -5.8   8.8   ?    ?   108.262  -116.069     15.9629    63.9314      91.3113     63.9314      
1 1 1 24 3  21 o 0 26.8   8.8   ?    ?   196.722  -66.3735     144.802    -66.3735     8.69568     -66.3735     
1 1 1 24 3  22 o 0 26     10.1  ?    ?   236.273  27.4351      115.189    27.4351      42.7626     -152.565     
1 1 1 24 3  23 o 0 14.6   8.9   ?    ?   116.658  -76.797      82.0142    -76.797      4.55765     -76.797      
1 1 1 24 3  24 o 0 -0.2   9.7   ?    ?   121.762  128.732      14.5591    128.732      64.7909     -51.2679     
1 1 1 24 3  25 o 0 36.5   9.9   ?    ?   298.172  -159.332     161.105    -159.332     20.8555     20.6678      
1 1 1 24 3  26 o 0 14.4   11.6  ?    ?   261.47   -108.109     49.8141    -108.109     93.9144     71.8913      
1 1 1 24 4  0  o 0 47.3   10.2  ?    ?   179.136  180          157.464    180          54.4044     -180         
1 1 1 24 4  1  o 0 6.3    6.4   ?    ?   129.075  141.429      23.5994    -38.571      98.13       -38.571      
1 1 1 24 4  2  o 0 27.9   7     ?    ?   223.029  -144.538     91.1265    -144.538     38.0435     35.4622      
1 1 1 24 4  3  o 0 13.4   8.8   ?    ?   146.281  35.9181      12.1174    35.9181      72.807      -144.082     
1 1 1 24 4  4  o 0 114.1  12.1  ?    ?   278.195  108.599      380.184    108.599      224.082     108.599      
1 1 1 24 4  5  o 0 323    28.5  ?    ?   755.407  145.279      528.321    145.279      103.907     145.279      
1 1 1 24 4  6  o 0 7.4    7.4   ?    ?   183.585  17.9928      20.2108    -162.007     123.431     -162.007     
1 1 1 24 4  7  f 1 6.1    8.2   ?    ?   228.24   94.2847      35.6646    -85.7153     163.691     -85.7153     
1 1 1 24 4  8  o 0 93.3   11.5  ?    ?   336.559  -60.985      299.078    -60.985      109.854     -60.985      
1 1 1 24 4  9  o 0 102.7  12.9  ?    ?   395.372  -67.2856     295.54     -67.2856     73.4098     -67.2856     
1 1 1 24 4  10 o 0 25     9.4   ?    ?   313.694  48.6587      52.76      48.6587      120.833     -131.341     
1 1 1 24 4  11 o 0 49.6   13.1  ?    ?   370.38   -1.70486     141.507    -1.70486     63.1259     178.295      
1 1 1 24 4  12 o 0 52.1   11.2  ?    ?   435.187  87.6868      121.5      87.6868      118.45      -92.3132     
1 1 1 24 4  13 o 0 40.7   10.1  ?    ?   192.423  -86.5272     179.786    -86.5272     69.0629     -86.5272     
1 1 1 24 4  14 f 1 171    17.5  ?    ?   589.925  -92.5288     426.274    -92.5288     7.29318     -92.5288     
1 1 1 24 4  15 o 0 39.9   8.8   ?    ?   178.069  -134.491     222.815    -134.491     96.4342     -134.491     
1 1 1 24 4  16 o 0 50.8   9.2   ?    ?   351.388  -64.1289     188.088    -64.1289     65.3836     115.871      
1 1 1 24 4  17 o 0 179.9  16.5  ?    ?   676.424  102.332      376.983    102.332      108.954     -77.6676     
1 1 1 24 4  18 o 0 95     12.1  ?    ?   439.089  105.761      299.21     105.761      15.4958     -74.2391     
1 1 1 24 4  19 o 0 -4.4   8.7   ?    ?   218.46   0.51214      63.2412    -179.488     219.045     -179.488     
1 1 1 24 4  20 o 0 7.5    8.6   ?    ?   61.6379  151.601      28.4668    151.601      14.3072     -28.3991     
1 1 1 24 4  21 o 0 7.1    8.6   ?    ?   99.2085  -2.99875     31.3097    -2.99875     37.1382     177.001      
1 1 1 24 4  22 o 0 10.8   8.6   ?    ?   87.8106  -23.8911     55.8397    -23.8911     2.70529     156.109      
1 1 1 24 4  23 o 0 -5.9   8.7   ?    ?   126.72   -97.2203     11.2706    82.7797      94.2427     82.7797      
1 1 1 24 4  24 o 0 21.3   9.2   ?    ?   186.595  101.615      111.178    101.615      10.1251     -78.385      
1 1 1 24 4  25 o 0 7.1    9.6   ?    ?   70.4415  -102.128     50.5529    -102.128     7.66519     -102.128     
1 1 1 24 4  26 o 0 24.6   12    ?    ?   185.337  -72.1811     137.386    -72.1811     35.7305     -72.1811     
1 1 1 24 5  1  o 0 20.5   8.2   ?    ?   313.845  -166.779     21.151     -166.779     152.836     13.2211      
1 1 1 24 5  2  o 0 7.9    8     ?    ?   61.3669  106.227      0.0199931  -73.7735     34.1438     -73.7735     
1 1 1 24 5  3  o 0 153.8  15.6  ?    ?   701.307  130.817      258.954    130.817      131.969     -49.1828     
1 1 1 24 5  4  o 0 21.6   7.9   ?    ?   160.948  133.81       69.2459    133.81       20.6374     -46.1897     
1 1 1 24 5  5  o 0 76.5   10.9  ?    ?   639.555  -35.2868     95.7142    -35.2868     261.923     144.713      
1 1 1 24 5  6  o 0 0      8     ?    ?   137.194  -138.78      33.0599    41.2197      109.839     41.2197      
1 1 1 24 5  7  f 1 -6.5   8.4   ?    ?   198.73   -109.613     66.0234    70.387       176.987     70.387       
1 1 1 24 5  8  o 0 24     7.5   ?    ?   310.775  73.3513      48.1396    73.3513      125.801     -106.649     
1 1 1 24 5  9  o 0 93.4   12.4  ?    ?   458.704  -139.173     244.186    -139.173     8.82551     40.8273      
1 1 1 24 5  10 f 1 84.3   12.3  ?    ?   210.416  -131.525     326.213    -131.525     210.577     -131.525     
1 1 1 24 5  11 o 0 -2.5   8.7   ?    ?   77.0785  82.9685      15.7037    -97.0315     58.1072     -97.0315     
1 1 1 24 5  12 o 0 91.2   11.9  ?    ?   414.405  -144.967     258.288    -144.967     30.754      -144.967     
1 1 1 24 5  13 o 0 33.7   8.9   ?    ?   201.96   -147.239     145.283    -147.239     29.5472     -147.239     
1 1 1 24 5  14 o 0 16.3   9     ?    ?   283.108  -45.5517     12.9021    -45.5517     187.881     134.448      
1 1 1 24 5  15 o 0 29.2   8.4   ?    ?   152.845  -161.579     178.246    -161.579     68.0174     -161.579     
1 1 1 24 5  16 o 0 37.8   8.7   ?    ?   361.507  -34.0118     115.554    -34.0117     144.224     145.988      
1 1 1 24 5  17 o 0 37.5   8.7   ?    ?   184.87   83.3488      214.257    83.3488      81.9405     83.3488      
1 1 1 24 5  18 f 1 -0.7   8.3   ?    ?   101.604  45.9522      9.25794    -134.048     81.6313     -134.048     
1 1 1 24 5  19 o 0 3.5    8.1   ?    ?   53.1446  20.5473      6.49422    20.5473      31.2758     -159.453     
1 1 1 24 5  20 o 0 4.7    8.6   ?    ?   78.7834  -49.6691     20.4121    -49.6691     34.0752     130.331      
1 1 1 24 5  21 o 0 12.6   9.1   ?    ?   131.587  59.6426      68.4875    59.6426      19.5056     -120.357     
1 1 1 24 5  22 o 0 10.2   8.3   ?    ?   130.889  22.5527      50.6845    22.5527      36.3064     -157.447     
1 1 1 24 5  23 o 0 -2.8   8.8   ?    ?   73.6928  19.7362      6.86225    19.7362      41.2428     -160.264     
1 1 1 24 5  24 o 0 -8     9.1   ?    ?   31.0143  44.842       3.93999    44.842       15.0321     -135.158     
1 1 1 24 5  25 o 0 7.9    8.3   ?    ?   93.848   53.4388      54.4261    53.4388      2.55237     -126.561     
1 1 1 24 5  26 o 0 32     12.7  ?    ?   101.855  148.155      202.211    148.155      146.494     148.155      
1 1 1 24 6  0  o 0 39     13.5  ?    ?   207.978  180          137.28     180          23.0382     -180         
1 1 1 24 6  1  o 0 70.6   10.6  ?    ?   339.411  -39.6664     225.144    -39.6664     38.013      -39.6664     
1 1 1 24 6  2  o 0 36.4   8.9   ?    ?   142.487  -67.0766     147.76     -67.0766     68.9574     -67.0766     
1 1 1 24 6  3  o 0 23.7   8.7   ?    ?   222.19   -140.735     71.1484    -140.735     52.0404     39.2651      
1 1 1 24 6  4  o 0 105.4  11.3  ?    ?   311.222  -57.9062     340.472    -57.9062     167.589     -57.9062     
1 1 1 24 6  5  o 0 110.7  13.3  ?    ?   432.165  34.1094      296.449    34.1094      56.0495     34.1094      
1 1 1 24 6  6  o 0 6      8.2   ?    ?   49.7539  37.0873      3.07224    -142.913     30.7726     -142.913     
1 1 1 24 6  7  o 0 24.1   7.8   ?    ?   134.16   6.19735      81.2672    6.19735      6.54604     6.19735      
1 1 1 24 6  8  o 0 44     8.8   ?    ?   425.605  129.422      96.7133    129.422      137.017     -50.5783     
1 1 1 24 6  9  f 1 190.6  21.4  ?    ?   480.943  160.402      450.292    160.402      187         160.402      
1 1 1 24 6  10 o 0 16.2   9.3   ?    ?   65.2927  -171.273     31.1608    -171.273     4.63986     8.72668      
1 1 1 24 6  11 o 0 33.4   9.2   ?    ?   246.815  152.234      126.323    152.234      8.81394     -27.7658     
1 1 1 24 6  12 o 0 75.8   10.8  ?    ?   303.479  111.553      260.802    111.553      87.2893     111.553      
1 1 1 24 6  13 o 0 136.3  14.8  ?    ?   462.221  -97.0049     417.051    -97.0049     89.8275     -97.0049     
1 1 1 24 6  14 o 0 11.3   8.4   ?    ?   169.494  22.1626      22.4696    22.1626      97.2009     -157.837     
1 1 1 24 6  15 o 0 6.8    8.8   ?    ?   173.959  -47.115      4.63002    -47.115      120.279     132.885      
1 1 1 24 6  16 o 0 9.4    9     ?    ?   229.36   46.2413      2.34522    -133.759     166.461     -133.759     
1 1 1 24 6  17 o 0 69.5   10.2  ?    ?   226.381  117.07       342.112    117.07       180.402     117.07       
1 1 1 24 6  18 o 0 110.5  12.5  ?    ?   399.238  -125.798     373.507    -125.798     89.5465     -125.798     
1 1 1 24 6  19 o 0 10.7   8.3   ?    ?   231.935  -155.414     10.2628    -155.414     150.356     24.5856      
1 1 1 24 6  20 o 0 6.6    8.1   ?    ?   72.6271  -148.44      25.214     -148.44      24.8232     31.5603      
1 1 1 24 6  21 o 0 32.3   9.3   ?    ?   178.915  -50.8897     192.928    -50.8897     73.7316     -50.8897     
1 1 1 24 6  22 o 0 -6.4   8.7   ?    ?   205.73   98.2081      50.0445    -81.7919     186.282     -81.7919     
1 1 1 24 6  23 o 0 7.6    9.7   ?    ?   79.18    -23.8691     47.6055    -23.8691     3.9007      156.131      
1 1 1 24 6  24 f 1 11.4   10    ?    ?   101.752  -118.819     79.9818    -118.819     18.1079     -118.819     
1 1 1 24 6  25 o 0 -3.9   10.8  ?    ?   109.088  -12.7472     38.1625    -12.7472     21.7944     167.253      
1 1 1 24 6  26 o 0 32.3   12.5  ?    ?   157.92   -161.265     190.452    -161.265     104.338     -161.265     
1 1 1 24 7  0  o 0 23.2   11    ?    ?   237.962  -180         91.151     180          38.7624     2.0601e-13   
1 1 1 24 7  1  o 0 19.9   7.8   ?    ?   165.982  57.9435      57.215     57.9435      33.7446     -122.057     
1 1 1 24 7  2  o 0 1.5    8.5   ?    ?   227.341  131.27       52.509     -48.7303     177.488     -48.7303     
1 1 1 24 7  3  o 0 41.2   9.2   ?    ?   155      -175.637     169.489    -175.637     84.0597     -175.637     
1 1 1 24 7  4  o 0 165.4  16.3  ?    ?   603.562  -121.637     330.741    -121.637     2.58181     58.3629      
1 1 1 24 7  5  o 0 64.5   10    ?    ?   380.027  2.37026      186.407    2.37026      23.7745     -177.63      
1 1 1 24 7  6  o 0 44.4   9     ?    ?   308.048  17.6621      151.82     17.6621      16.3482     -162.338     
1 1 1 24 7  7  o 0 29.1   8.8   ?    ?   329.045  52.5162      73.2264    52.5162      106.487     -127.484     
1 1 1 24 7  8  o 0 46.5   8.7   ?    ?   236.011  36.891       188.633    36.891       59.7333     36.891       
1 1 1 24 7  9  o 0 131.6  12.9  ?    ?   548.138  -31.4913     294.015    -31.4913     5.21566     148.509      
1 1 1 24 7  10 o 0 51.6   10.1  ?    ?   136.398  163.333      221.148    163.333      146.756     163.333      
1 1 1 24 7  11 o 0 9.4    8.1   ?    ?   95.385   -94.8568     15.4186    -94.8568     38.9346     85.1432      
1 1 1 24 7  12 o 0 55.4   10.6  ?    ?   214.567  95.362       282.798    95.362       131.328     95.362       
1 1 1 24 7  13 o 0 7.8    8.3   ?    ?   126.82   175.447      8.29601    175.447      81.0359     -4.55259     
1 1 1 24 7  14 o 0 -6.2   8.8   ?    ?   56.3305  -149.321     11.9617    30.6788      52.3355     30.6788      
1 1 1 24 7  15 o 0 -2.8   7.3   ?    ?   30.3501  0.70509      6.69297    -179.295     28.3811     -179.295     
1 1 1 24 7  16 o 0 25     8.5   ?    ?   173.638  -154.875     134.709    -154.875     11.046      -154.875     
1 1 1 24 7  17 o 0 32.3   9.6   ?    ?   157.269  12.1302      193.98     12.1302      82.1532     12.1302      
1 1 1 24 7  18 o 0 20.3   9.2   ?    ?   157.346  20.1901      105.644    20.1901      5.76819     -159.81      
1 1 1 24 7  19 f 1 27.1   8.6   ?    ?   146.45   137.035      167.74     137.035      67.0243     137.035      
1 1 1 24 7  20 o 0 10.5   8.9   ?    ?   47.7962  -122.036     38.7858    -122.036     6.90143     -122.036     
1 1 1 24 7  21 o 0 -6.5   8.9   ?    ?   33.2592  23.0763      1.72089    -156.924     23.7866     -156.924     
1 1 1 24 7  22 o 0 25.3   10.6  ?    ?   160.578  80.7851      147.222    80.7851      42.5132     80.7851      
1 1 1 24 7  23 o 0 -1.2   9.9   ?    ?   40.2288  -40.3949     11.1212    -40.3949     14.9445     139.605      
1 1 1 24 7  24 o 0 -5.9   9     ?    ?   32.0503  7.51974      5.31954    7.51974      14.1453     -172.48      
1 1 1 24 7  25 o 0 46.7   11.5  ?    ?   195.202  33.6436      267.617    33.6436      160.728     33.6436      
1 1 1 24 8  1  f 1 8.4    8.4   ?    ?   100.575  -61.0154     0.0611031  118.985      54.6724     118.985      
1 1 1 24 8  2  o 0 41.1   8.3   ?    ?   210.351  165.985      162.802    165.985      47.9165     165.985      
1 1 1 24 8  3  o 0 19.7   7.8   ?    ?   50.0983  53.8266      35.9859    53.8266      8.93201     53.8266      
1 1 1 24 8  4  o 0 100.6  10.8  ?    ?   435.552  -144.31      271.974    -144.31      36.2755     -144.31      
1 1 1 24 8  5  o 0 6.3    9.1   ?    ?   270.568  47.6829      36.8054    -132.317     183.451     -132.317     
1 1 1 24 8  6  f 1 32.8   8.1   ?    ?   196.333  -130.338     138.503    -130.338     32.2536     -130.338     
1 1 1 24 8  7  o 0 19.6   7.5   ?    ?   69.3908  79.7061      46.9733    79.7061      9.3035      79.7061      
1 1 1 24 8  8  o 0 90.4   11    ?    ?   539.599  -92.8353     192.109    -92.8353     100.847     87.1647      
1 1 1 24 8  9  o 0 31     8.1   ?    ?   122.344  -63.9948     128.497    -63.9948     62.0989     -63.9948     
1 1 1 24 8  10 o 0 2.3    7.7   ?    ?   63.531   34.14        6.08607    -145.86      42.1284     -145.86      
1 1 1 24 8  11 o 0 -5.5   7.7   ?    ?   72.1045  -4.15187     24.4066    175.848      75.1096     175.848      
1 1 1 24 8  12 o 0 36.2   9.5   ?    ?   223.926  -137.604     181.007    -137.604     23.8039     -137.604     
1 1 1 24 8  13 o 0 119.6  13.6  ?    ?   358.377  113.777      430.036    113.777      173.91      113.777      
1 1 1 24 8  14 o 0 30.2   10.4  ?    ?   209.083  42.1384      149.816    42.1384      0.756263    42.1384      
1 1 1 24 8  15 o 0 -2.6   7.8   ?    ?   112.04   134.975      24.9803    -45.0255     104.627     -45.0255     
1 1 1 24 8  16 o 0 32.9   8     ?    ?   174.416  22.1243      195.188    22.1243      71.3329     22.1243      
1 1 1 24 8  17 o 0 24.2   8.3   ?    ?   316.877  -91.4208     54.668     -91.4208     169.522     88.5792      
1 1 1 24 8  18 o 0 52.5   9.4   ?    ?   308.998  86.5297      223.469    86.5297      10.4791     86.5297      
1 1 1 24 8  19 o 0 29.9   8.7   ?    ?   192.526  42.3521      170.086    42.3521      37.9772     42.3521      
1 1 1 24 8  20 o 0 5.1    10.3  ?    ?   19.7329  38.7956      10.9854    38.7956      2.11657     -141.204     
1 1 1 24 8  21 o 0 14.1   9.7   ?    ?   152.716  142.709      79.1525    142.709      20.5612     -37.2908     
1 1 1 24 8  22 o 0 148    15.8  ?    ?   476.494  -101.425     427.802    -101.425     118.483     -101.425     
1 1 1 24 8  23 o 0 -1.5   8.7   ?    ?   57.3078  -113.179     15.843     -113.179     19.0466     66.8213      
1 1 1 24 8  24 o 0 8.3    9.1   ?    ?   117.878  66.9444      75.0723    66.9444      10.3289     66.9444      
1 1 1 24 8  25 o 0 15.8   10.4  ?    ?   151.634  108.225      105.025    108.225      22.3381     108.225      
1 1 1 24 9  0  o 0 279.9  31.5  ?    ?   818.828  -8.24102e-15 430.298    0            4.43007     180          
1 1 1 24 9  1  o 0 22.4   8.5   ?    ?   177.856  130.156      78.6933    130.156      16.1065     -49.8439     
1 1 1 24 9  2  o 0 10.8   8.9   ?    ?   207.634  -125.291     4.8278     -125.291     106.214     54.709       
1 1 1 24 9  3  o 0 13.2   7.8   ?    ?   230.019  26.6451      10.8678    26.6451      112.485     -153.355     
1 1 1 24 9  4  o 0 30.4   8.1   ?    ?   233.336  79.1447      115.67     79.1447      9.73725     -100.855     
1 1 1 24 9  5  o 0 178.8  17.2  ?    ?   616.488  161.996      353.202    161.996      21.3155     161.996      
1 1 1 24 9  6  o 0 25.6   8.1   ?    ?   114.594  124.061      98.1907    124.061      36.4275     124.061      
1 1 1 24 9  7  o 0 7.3    6.8   ?    ?   169.999  136.025      12.8607    -43.9748     104.547     -43.9748     
1 1 1 24 9  8  o 0 35.7   7.8   ?    ?   291.787  166.508      118.449    166.508      46.222      -13.4919     
1 1 1 24 9  9  o 0 28.5   7.8   ?    ?   188.977  -173.626     122.176    -173.626     15.553      -173.626     
1 1 1 24 9  10 o 0 4.3    7.4   ?    ?   75.2409  -1.4648      4.944      178.535      57.5911     178.535      
1 1 1 24 9  11 o 0 0      9.3   ?    ?   47.6897  122.177      4.91234    -57.8231     38.2442     -57.8231     
1 1 1 24 9  12 o 0 22.5   8.2   ?    ?   213.652  173.583      101.118    173.583      50.9819     -6.41651     
1 1 1 24 9  13 o 0 66.7   9.8   ?    ?   364.023  -46.6205     245.749    -46.6205     12.8943     133.379      
1 1 1 24 9  14 o 0 31.3   9     ?    ?   363.115  43.1286      74.4386    43.1286      182.953     -136.871     
1 1 1 24 9  15 f 1 14.3   7.5   ?    ?   187.325  8.43016      52.877     8.43016      79.4903     -171.57      
1 1 1 24 9  16 o 0 70.7   10.4  ?    ?   243.995  93.6695      332.387    93.6695      160.078     93.6695      
1 1 1 24 9  17 o 0 83.5   11    ?    ?   279.376  -169.626     362.605    -169.626     170.288     -169.626     
1 1 1 24 9  18 o 0 71.8   11.3  ?    ?   315.225  -89.8833     295.064    -89.8832     78.9332     -89.8832     
1 1 1 24 9  19 o 0 18.1   9.6   ?    ?   135.972  -78.0032     103.589    -78.0032     13.3334     -78.0032     
1 1 1 24 9  20 o 0 -1.1   8.1   ?    ?   34.0525  97.2938      2.02545    97.2938      20.4692     -82.7062     
1 1 1 24 9  21 o 0 8.9    8.8   ?    ?   141.71   129.864      48.3524    129.864      43.7136     -50.1364     
1 1 1 24 9  22 o 0 6.5    10    ?    ?   43.2501  175.349      38.4393    175.349      12.0722     175.349      
1 1 1 24 9  23 f 1 31.1   10.4  ?    ?   179.326  -61.8465     178.883    -61.8465     70.5087     -61.8465     
1 1 1 24 9  24 o 0 0.7    11.8  ?    ?   126.404  -81.9943     51.2864    -81.9943     17.8152     98.0057      
1 1 1 24 10 0  o 0 12.9   9.3   ?    ?   328.509  0            64.2139    0            108.844     180          
1 1 1 24 10 1  o 0 51.8   9     ?    ?   307.95   -147.137     175.18     -147.137     12.2939     -147.137     
1 1 1 24 10 2  o 0 22.8   8.2   ?    ?   258.544  49.9456      60.743     49.9456      76.4832     -130.054     
1 1 1 24 10 3  o 0 23     8.7   ?    ?   225.642  158.281      71.1314    158.281      48.9762     -21.7187     
1 1 1 24 10 4  o 0 0.8    8.3   ?    ?   102.611  47.1091      16.3324    -132.891     71.0783     -132.891     
1 1 1 24 10 5  o 0 85.2   9.6   ?    ?   327.007  15.4237      273.25     15.4237      90.4        15.4237      
1 1 1 24 10 6  o 0 -0.1   7.2   ?    ?   59.6743  153.967      10.9159    -26.0333     44.3262     -26.0333     
1 1 1 24 10 7  o 0 5.8    7.2   ?    ?   131.681  58.8878      6.47872    -121.112     80.2625     -121.112     
1 1 1 24 10 8  o 0 27.8   8.5   ?    ?   225.88   99.6524      130.057    99.6524      27.0637     -80.3476     
1 1 1 24 10 9  o 0 52.7   8     ?    ?   209.01   122.447      272.278    122.447      126.911     122.447      
1 1 1 24 10 10 o 0 0.2    7.5   ?    ?   70.3208  6.85364      8.53215    -173.146     58.3962     -173.146     
1 1 1 24 10 11 o 0 9.1    7.3   ?    ?   102.255  170.526      26.7199    170.526      45.716      -9.47412     
1 1 1 24 10 12 o 0 0.3    7.9   ?    ?   136.45   -44.4602     21.3898    135.54       117.912     135.54       
1 1 1 24 10 13 o 0 48.8   9     ?    ?   153.323  -56.3453     279.851    -56.3453     171.592     -56.3453     
1 1 1 24 10 14 o 0 46.1   8.5   ?    ?   368.87   154.401      151.744    154.401      108.696     -25.599      
1 1 1 24 10 15 o 0 60.9   9.1   ?    ?   195.888  -55.9486     319.551    -55.9486     181.612     -55.9486     
1 1 1 24 10 16 o 0 -2.8   8.9   ?    ?   91.739   -175.453     4.22056    4.54734      67.2238     4.54734      
1 1 1 24 10 17 o 0 17.9   9.2   ?    ?   160.041  30.3477      93.5651    30.3477      15.965      -149.652     
1 1 1 24 10 18 o 0 88     12.6  ?    ?   361.83   -154.326     325.954    -154.326     86.0899     -154.326     
1 1 1 24 10 19 o 0 -12.4  9.1   ?    ?   14.4464  81.3528      2.37609    -98.6472     11.9117     -98.6472     
1 1 1 24 10 20 f 1 43.8   9.2   ?    ?   215.007  -130.864     240.481    -130.864     101.188     -130.864     
1 1 1 24 10 21 o 0 13.1   10    ?    ?   227.319  -56.0225     35.6171    -56.0225     111.272     123.977      
1 1 1 24 10 22 o 0 48.8   11.8  ?    ?   366.395  53.8195      174.131    53.8195      48.0569     -126.181     
1 1 1 24 10 23 o 0 54.9   10.4  ?    ?   294.463  125.494      265.3      125.494      104.098     125.494      
1 1 1 24 11 0  o 0 89.5   15.7  ?    ?   539.198  180          237.719    180          56.985      -9.57822e-14 
1 1 1 24 11 1  o 0 146.6  13    ?    ?   485.962  -44.3584     336.53     -44.3584     69.8109     -44.3584     
1 1 1 24 11 2  o 0 2.9    7.5   ?    ?   232.626  -15.2245     45.6859    164.775      173.819     164.775      
1 1 1 24 11 3  o 0 7.3    7.7   ?    ?   96.4342  -47.2514     5.47928    -47.2514     47.7975     132.749      
1 1 1 24 11 4  f 1 155.2  14.4  ?    ?   521.319  -61.0667     338.524    -61.0667     50.5477     -61.0667     
1 1 1 24 11 5  o 0 122.9  11.9  ?    ?   447.86   -123.846     380.2      -123.846     71.7925     -123.846     
1 1 1 24 11 6  f 1 10.6   7.9   ?    ?   105.379  148.791      24.2087    148.791      48.2734     -31.209      
1 1 1 24 11 7  o 0 12.3   7.4   ?    ?   88.7933  -156.597     32.0121    -156.597     29.2761     23.4028      
1 1 1 24 11 8  o 0 94.6   10.6  ?    ?   403.288  -31.6612     320.129    -31.6612     36.0351     -31.6612     
1 1 1 24 11 9  o 0 30.6   7.5   ?    ?   254.543  28.1305      139.114    28.1305      40.1969     -151.869     
1 1 1 24 11 10 o 0 15.4   7.7   ?    ?   175.971  166.631      62.1708    166.631      61.7351     -13.3687     
1 1 1 24 11 11 o 0 8.2    8     ?    ?   116.116  57.1548      22.4965    57.1549      59.1925     -122.845     
1 1 1 24 11 12 o 0 10.7   8.4   ?    ?   117.872  -106.404     44.6826    -106.404     38.3157     73.5963      
1 1 1 24 11 13 o 0 160.6  16.3  ?    ?   439.261  94.0966      477.951    94.0966      169.179     94.0966      
1 1 1 24 11 14 o 0 30.2   9.1   ?    ?   204.071  -77.384      160.25     -77.384      17.1066     -77.384      
1 1 1 24 11 15 o 0 -14.8  8.5   ?    ?   98.9538  157.918      31.0789    -22.0821     98.8079     -22.0821     
1 1 1 24 11 16 o 0 16.3   7.8   ?    ?   192.319  -62.9891     71.0894    -62.9891     60.1557     117.011      
1 1 1 24 11 17 o 0 25.9   9.1   ?    ?   244.76   38.4187      112.995    38.4187      48.8822     -141.581     
1 1 1 24 11 18 o 0 16.5   8.9   ?    ?   141.277  93.9138      91.9648    93.9138      1.11928     -86.0862     
1 1 1 24 11 19 o 0 29     9.3   ?    ?   171.936  108.002      172.53     108.002      60.9965     108.002      
1 1 1 24 11 20 o 0 20.4   9.6   ?    ?   58.0535  -161.572     104.334    -161.572     66.8491     -161.572     
1 1 1 24 11 21 o 0 19.1   11.1  ?    ?   219.006  -176.126     82.3538    -176.126     50.4276     3.87397      
1 1 1 24 11 22 o 0 141    14.3  ?    ?   499.437  34.3743      434.656    34.3743      161.147     34.3743      
1 1 1 24 11 23 f 1 -2.5   8.8   ?    ?   111.637  155.379      27.9016    155.379      32.7157     -24.6212     
1 1 1 24 12 0  o 0 -1.4   10    ?    ?   57.6411  180          8.36554    180          30.3881     -6.0822e-14  
1 1 1 24 12 1  o 0 15.7   6.7   ?    ?   174.373  -10.683      54.0046    -10.683      63.7376     169.317      
1 1 1 24 12 2  o 0 36.9   7.9   ?    ?   242.493  -123.324     173.037    -123.324     8.68827     -123.324     
1 1 1 24 12 3  o 0 38.8   8.3   ?    ?   327.736  -65.6169     137.306    -65.6169     85.5131     114.383      
1 1 1 24 12 4  o 0 186.1  17.5  ?    ?   334.722  61.856       603.117    61.856       374.958     61.856       
1 1 1 24 12 5  o 0 38.8   8.1   ?    ?   143.528  179.684      230.428    179.684      130.419     179.684      
1 1 1 24 12 6  o 0 14.6   8.6   ?    ?   197.92   -48.4934     46.5242    -48.4934     91.5987     131.507      
1 1 1 24 12 7  f 1 12     7.9   ?    ?   124.732  -56.5205     46.4698    -56.5205     40.4455     123.479      
1 1 1 24 12 8  o 0 37.8   9.6   ?    ?   213.627  -30.9741     196.509    -30.9741     47.1777     -30.9741     
1 1 1 24 12 9  o 0 53.3   8.7   ?    ?   354.5    -172.28      192.469    -172.28      55.3686     7.71992      
1 1 1 24 12 10 o 0 4.3    8.3   ?    ?   142.857  140.679      2.26323    140.679      97.799      -39.3209     
1 1 1 24 12 11 o 0 4      9     ?    ?   56.906   -10.5926     11.4926    -10.5926     28.3366     169.407      
1 1 1 24 12 12 o 0 33.6   10.8  ?    ?   216.048  -102.891     163.402    -102.891     12.3646     -102.891     
1 1 1 24 12 13 f 1 32.4   9.2   ?    ?   238.91   -101.468     160.553    -101.468     2.15703     78.5322      
1 1 1 24 12 14 o 0 27.4   8     ?    ?   257.655  13.3415      122.068    13.3415      53.5067     -166.658     
1 1 1 24 12 15 o 0 26.4   7.8   ?    ?   209.65   125.287      140.905    125.287      1.61124     -54.7127     
1 1 1 24 12 16 o 0 -10.9  7.4   ?    ?   88.4833  46.958       25.295     -133.042     83.6187     -133.042     
1 1 1 24 12 17 f 1 0.7    8.2   ?    ?   175.448  -124.721     15.1318    55.2793      130.106     55.2793      
1 1 1 24 12 18 o 0 40.2   13.3  ?    ?   190.275  30.7798      208.822    30.7798      85.6778     30.7798      
1 1 1 24 12 19 o 0 -0.1   11    ?    ?   100.976  -71.883      24.0019    -71.883      41.0814     108.117      
1 1 1 24 12 20 o 0 38.8   8.9   ?    ?   234.241  86.6261      210.629    86.6261      68.7878     86.6261      
1 1 1 24 12 21 f 1 32     9.4   ?    ?   222.215  -90.6891     185.521    -90.6891     64.2274     -90.6891     
1 1 1 24 12 22 o 0 -0.3   8.1   ?    ?   105.306  18.0958      31.3236    18.0958      25.9942     -161.904     
1 1 1 24 13 0  o 0 10.1   11.2  ?    ?   145.541  180          50.1222    180          48.7693     -5.29227e-14 
1 1 1 24 13 1  o 0 50.3   8.3   ?    ?   140.629  101.443      282.081    101.443      186.1       101.443      
1 1 1 24 13 2  o 0 0.6    7.3   ?    ?   72.2799  18.6158      8.59614    -161.384     58.1189     -161.384     
1 1 1 24 13 3  o 0 46.4   8.5   ?    ?   342.448  48.7935      165.636    48.7935      69.767      -131.206     
1 1 1 24 13 4  o 0 67.1   8.5   ?    ?   332.046  126.962      261.704    126.962      32.8251     126.962      
1 1 1 24 13 5  o 0 100.4  12.5  ?    ?   286.89   -134.112     401.631    -134.112     203.441     -134.112     
1 1 1 24 13 6  o 0 -4.2   8     ?    ?   74.9243  -82.1949     16.4403    97.8051      68.2879     97.8051      
1 1 1 24 13 7  o 0 47.6   8.4   ?    ?   204.637  -116.424     250.252    -116.424     108.472     -116.424     
1 1 1 24 13 8  o 0 28     8.3   ?    ?   254.278  -16.5308     121.156    -16.5308     55.5348     163.469      
1 1 1 24 13 9  o 0 64.7   10.2  ?    ?   221.35   -103.316     316.196    -103.316     162.344     -103.316     
1 1 1 24 13 10 o 0 8.5    10    ?    ?   200.236  155.798      12.1548    155.798      126.997     -24.2021     
1 1 1 24 13 11 o 0 -4.6   8.5   ?    ?   41.1972  -95.5616     6.01283    84.4384      34.6249     84.4384      
1 1 1 24 13 12 f 1 27.6   9.3   ?    ?   278.088  -146.119     101.33     -146.119     86.9258     33.8807      
1 1 1 24 13 13 o 0 4.2    8.6   ?    ?   177.216  141.518      1.23007    -38.4817     121.331     -38.4817     
1 1 1 24 13 14 o 0 34     8.6   ?    ?   268.584  116.285      157.482    116.285      19.1825     -63.715      
1 1 1 24 13 15 o 0 -1.9   9.8   ?    ?   126.046  -33.5338     2.13487    -33.5338     80.5828     146.466      
1 1 1 24 13 16 o 0 48     10.4  ?    ?   223.825  170.674      246.557    170.674      100.073     170.674      
1 1 1 24 13 17 o 0 11.8   9.6   ?    ?   217.825  8.78861      35.5357    8.78861      104.966     -171.211     
1 1 1 24 13 18 o 0 67.7   9.9   ?    ?   191.529  108.916      349.991    108.916      226.89      108.916      
1 1 1 24 13 19 f 1 32.9   8.7   ?    ?   222.005  -129.102     184.445    -129.102     50.6656     -129.102     
1 1 1 24 13 20 o 0 10.5   8.7   ?    ?   78.7707  144.53       86.9787    144.53       43.9473     144.53       
1 1 1 24 13 21 o 0 9.8    8.8   ?    ?   227.743  157.584      38.5293    157.584      85.2804     -22.4161     
1 1 1 24 14 0  o 0 10.9   10.5  ?    ?   320.616  180          75.5045    180          140.208     -4.87974e-14 
1 1 1 24 14 1  o 0 -2.1   7.3   ?    ?   101.26   -16.6233     22.4344    163.377      90.878      163.377      
1 1 1 24 14 2  o 0 24.9   7     ?    ?   193.931  69.8951      128.92     69.8951      2.69        -110.105     
1 1 1 24 14 3  o 0 35     9     ?    ?   114.98   -69.9747     210.617    -69.9747     132.145     -69.9747     
1 1 1 24 14 4  o 0 109.3  12.8  ?    ?   345.306  114.368      389.694    114.368      153.342     114.368      
1 1 1 24 14 5  o 0 59.6   8.8   ?    ?   288.073  -54.2053     256.408    -54.2053     58.7634     -54.2053     
1 1 1 24 14 6  o 0 -0.9   8.9   ?    ?   90.2327  131.099      3.95378    -48.9007     65.977      -48.9007     
1 1 1 24 14 7  o 0 15.9   8.8   ?    ?   289.308  -161.256     9.46603    -161.256     189.667     18.7439      
1 1 1 24 14 8  o 0 7.3    8.4   ?    ?   171.813  -70.967      9.66488    -70.967      108.701     109.033      
1 1 1 24 14 9  o 0 171.4  15.8  ?    ?   442.351  60.4461      501.459    60.4461      203.213     60.4461      
1 1 1 24 14 10 o 0 5.8    9.8   ?    ?   99.4129  102.285      30.1534    102.285      36.8713     -77.7146     
1 1 1 24 14 11 o 0 -8.8   9.8   ?    ?   105.091  111.918      14.5255    -68.082      85.3446     -68.082      
1 1 1 24 14 12 o 0 -3.5   9.7   ?    ?   52.5385  18.6375      1.63661    18.6375      33.7361     -161.363     
1 1 1 24 14 13 o 0 77.8   14.8  ?    ?   246.892  -101.294     344.249    -101.294     182.827     -101.294     
1 1 1 24 14 14 o 0 54.9   9.8   ?    ?   333.196  136.15       218.102    136.15       0.637688    136.15       
1 1 1 24 14 15 o 0 47.5   12.4  ?    ?   222.195  28.1034      240.592    28.1034      97.5286     28.1034      
1 1 1 24 14 16 o 0 3.2    11.5  ?    ?   131.634  179.83       35.1791    179.83       49.3544     -0.170316    
1 1 1 24 14 18 o 0 17.7   10.6  ?    ?   95.7792  170.571      112.652    170.571      54.9804     170.571      
1 1 1 24 14 19 o 0 -0.8   11.6  ?    ?   22.0903  -113.52      21.2683    -113.52      9.23449     -113.52      
1 1 1 24 14 20 o 0 1.3    9.5   ?    ?   171.637  161.048      27.4259    161.048      65.6712     -18.9519     
1 1 1 24 15 0  o 0 191.3  24.5  ?    ?   283.926  180          414.087    180          224.617     -180         
1 1 1 24 15 1  o 0 16.7   7.2   ?    ?   65.1337  94.4933      69.1171    94.4933      25.4437     94.4933      
1 1 1 24 15 2  o 0 23.3   7.7   ?    ?   220.217  163.635      101.639    163.635      46.6411     -16.3646     
1 1 1 24 15 3  o 0 54.6   8.4   ?    ?   305.727  -81.6703     221.763    -81.6703     15.1599     -81.6703     
1 1 1 24 15 4  o 0 23.7   8.2   ?    ?   300.12   -115.469     59.2537    -115.469     144.184     64.5313      
1 1 1 24 15 5  o 0 126.4  13.9  ?    ?   490.267  83.3106      341.881    83.3106      8.70688     83.3106      
1 1 1 24 15 6  o 0 0.6    8.7   ?    ?   70.3607  134.894      6.19633    134.894      40.6745     -45.1062     
1 1 1 24 15 7  f 1 36.7   9.4   ?    ?   176.508  60.3715      209.87     60.3715      92.4117     60.3715      
1 1 1 24 15 8  o 0 0.6    7.4   ?    ?   224.652  163.836      48.1751    -16.1644     198.212     -16.1644     
1 1 1 24 15 9  f 1 19.4   9.4   ?    ?   242.775  -34.7516     63.8248    -34.7516     97.9919     145.248      
1 1 1 24 15 10 o 0 93     14.7  ?    ?   409.02   -63.6115     303.138    -63.6115     37.3236     -63.6115     
1 1 1 24 15 11 o 0 10.2   14.9  ?    ?   115.511  -173.321     69.4242    -173.321     5.6192      6.67919      
1 1 1 24 15 12 o 0 -3.4   10    ?    ?   108.474  -55.9746     2.50066    -55.9746     67.9167     124.025      
1 1 1 24 15 13 o 0 72.9   13.7  ?    ?   210.66   -108.327     350.096    -108.327     215.053     -108.327     
1 1 1 24 15 14 o 0 30.8   8.6   ?    ?   186.837  -41.4242     182.64     -41.4242     63.065      -41.4242     
1 1 1 24 15 15 o 0 34.3   9.5   ?    ?   226.097  57.1651      176.713    57.1651      32.31       57.1651      
1 1 1 24 15 16 o 0 39.3   9.8   ?    ?   166.23   -54.5524     240.977    -54.5524     141.032     -54.5524     
1 1 1 24 15 18 o 0 4.3    12.4  ?    ?   70.8941  -78.9809     66.3614    -78.9809     27.8901     -78.9809     
1 1 1 24 15 19 o 0 15.4   9.5   ?    ?   191.444  31.2639      87.4614    31.2639      16.0354     -148.736     
1 1 1 24 16 0  o 0 138.4  17    ?    ?   522.845  -2.02214e-14 350.21     0            12.5906     5.42241e-13  
1 1 1 24 16 1  o 0 47     8.5   ?    ?   178.155  163.863      256.329    163.863      140.716     163.863      
1 1 1 24 16 2  f 1 19.2   7.6   ?    ?   163.173  171.427      101.831    171.427      4.24935     -8.57308     
1 1 1 24 16 3  o 0 51.9   8.7   ?    ?   272.875  142.796      232.132    142.796      53.6003     142.796      
1 1 1 24 16 4  o 0 31.1   8.1   ?    ?   235.83   -31.7143     151.305    -31.7143     3.491       148.286      
1 1 1 24 16 5  o 0 34.4   9     ?    ?   220.735  44.651       175.213    44.651       29.9316     44.651       
1 1 1 24 16 6  o 0 24.5   9     ?    ?   239.455  -80.7894     99.6274    -80.7894     58.321      99.2106      
1 1 1 24 16 7  o 0 37.8   8.2   ?    ?   167.971  -19.623      224.917    -19.623      116.996     -19.623      
1 1 1 24 16 8  o 0 32.2   11.7  ?    ?   272.931  -70.2003     121.801    -70.2003     53.7689     109.8        
1 1 1 24 16 9  o 0 191    23.4  ?    ?   348.264  -146.66      578.522    -146.66      354.328     -146.66      
1 1 1 24 16 10 o 0 27.7   11.6  ?    ?   224.35   147.147      121.423    147.147      23.0403     -32.8531     
1 1 1 24 16 11 o 0 6.8    11.1  ?    ?   18.3977  -131.655     15.8171    -131.655     4.10664     -131.655     
1 1 1 24 16 12 o 0 32.8   15.2  ?    ?   239.544  161.865      131.038    161.865      21.3394     -18.1354     
1 1 1 24 16 13 o 0 -3.7   8.7   ?    ?   123.832  144.585      4.88966    -35.4155     83.5769     -35.4155     
1 1 1 24 16 14 o 0 85.2   10.6  ?    ?   299.249  -38.686      363.267    -38.686      184.081     -38.686      
1 1 1 24 16 15 o 0 19.5   8.4   ?    ?   182.435  -162.513     109.073    -162.513     0.0454662   -162.513     
1 1 1 24 16 16 o 0 10     7.7   ?    ?   148.854  24.0046      72.3078    24.0046      8.2965      -155.995     
1 1 1 24 16 17 o 0 100.7  11.8  ?    ?   439.071  -152.782     350.362    -152.782     113.27      -152.782     
1 1 1 24 17 0  o 0 141.3  19.7  ?    ?   553.113  -2.22436e-14 346.255    0            2.89783     2.63559e-12  
1 1 1 24 17 1  o 0 26.8   9     ?    ?   288.606  -41.5393     90.0398    -41.5393     90.0421     138.461      
1 1 1 24 17 2  o 0 27.4   8.6   ?    ?   192.426  -61.1501     144.338    -61.1501     23.7221     -61.1501     
1 1 1 24 17 3  o 0 24.5   7.7   ?    ?   131.691  29.5995      150.174    29.5995      67.2982     29.5995      
1 1 1 24 17 4  o 0 29.8   8.9   ?    ?   296.963  96.5352      110.269    96.5352      77.2564     -83.4648     
1 1 1 24 17 5  o 0 51.9   10.1  ?    ?   281.103  164.875      227.441    164.875      49.4171     164.875      
1 1 1 24 17 6  o 0 -1.6   7.6   ?    ?   100.425  -58.6686     6.38169    121.331      70.1328     121.331      
1 1 1 24 17 7  o 0 22.3   9.2   ?    ?   242.569  161.218      85.5905    161.218      68.6823     -18.7824     
1 1 1 24 17 8  o 0 89.5   14.2  ?    ?   245.125  -149.164     383.518    -149.164     229.171     -149.164     
1 1 1 24 17 9  f 1 10.7   10.2  ?    ?   111.477  146.917      65.759     146.917      4.31661     -33.0834     
1 1 1 24 17 10 o 0 58.6   12.3  ?    ?   275.663  106.88       256.463    106.88       82.6577     106.88       
1 1 1 24 17 11 o 0 9      11    ?    ?   94.8613  99.5687      56.5652    99.5687      3.24298     -80.4313     
1 1 1 24 17 12 o 0 -13    10.8  ?    ?   9.73083  -127.157     1.49729    -127.157     4.28985     52.8435      
1 1 1 24 17 13 o 0 33     8.9   ?    ?   292.674  -29.571      143.778    -29.571      30.1206     150.429      
1 1 1 24 17 14 o 0 28.4   8.6   ?    ?   164.496  166.707      190.267    166.707      101.619     166.707      
1 1 1 24 17 15 o 0 4.2    8.2   ?    ?   122.327  -121.579     47.0967    -121.579     18.7072     58.4206      
1 1 1 24 17 16 o 0 36.5   8.7   ?    ?   197.661  175.002      225.241    175.002      119.151     175.002      
1 1 1 24 18 0  o 0 49.1   14    ?    ?   296.507  180          191.505    180          9.63206     180          
1 1 1 24 18 1  o 0 60.3   10.4  ?    ?   285.144  24.3867      256.806    24.3867      82.9585     24.3867      
1 1 1 24 18 2  f 1 1.2    7.7   ?    ?   148.381  32.2081      0.0877033  -147.792     90.7491     -147.792     
1 1 1 24 18 3  o 0 27.4   8     ?    ?   214.868  59.1102      144.507    59.1102      12.3331     59.1102      
1 1 1 24 18 4  o 0 71.1   11.6  ?    ?   338.832  105.662      267.531    105.662      58.3477     105.662      
1 1 1 24 18 5  f 1 3.5    9.6   ?    ?   121.699  -73.237      27.6619    -73.237      47.5087     106.763      
1 1 1 24 18 6  o 0 3.3    11.6  ?    ?   56.0157  31.4413      31.6247    31.4413      3.15291     -148.559     
1 1 1 24 18 7  o 0 34.9   11.3  ?    ?   295.168  169.424      125.818    169.424      57.8138     -10.5759     
1 1 1 24 18 8  o 0 11     10.8  ?    ?   217.09   -20.6401     29.4641    -20.6401     105.803     159.36       
1 1 1 24 18 10 o 0 -10.8  10.5  ?    ?   146.003  96.3033      6.08836    -83.6967     92.0854     -83.6967     
1 1 1 24 18 11 o 0 11.7   11    ?    ?   132.331  67.4702      74.2567    67.4702      3.69786     -112.53      
1 1 1 24 18 12 o 0 27.8   9.6   ?    ?   248.511  81.6079      140.456    81.6079      7.53913     81.6079      
1 1 1 24 18 13 o 0 -3.7   7.9   ?    ?   145.627  -79.6177     8.38656    -79.6177     69.4414     100.382      
1 1 1 24 18 14 o 0 -9.5   8.4   ?    ?   23.3854  -125.604     5.21344    -125.604     7.26916     54.3958      
1 1 1 24 19 0  o 0 32     10.5  ?    ?   295.639  180          149.171    180          27.8855     3.19421e-15  
1 1 1 24 19 1  o 0 25.9   7.7   ?    ?   226.229  37.9866      125.907    37.9866      10.3312     -142.013     
1 1 1 24 19 2  o 0 7.8    8.6   ?    ?   96.7127  3.13233      42.0222    3.13233      16.5079     -176.868     
1 1 1 24 19 3  o 0 8.6    14.4  ?    ?   80.8267  -47.6418     72.6416    -47.6418     26.2759     -47.6418     
1 1 1 24 19 4  o 0 4.3    10.8  ?    ?   188.242  -62.6114     24.9589    -62.6114     83.437      117.389      
1 1 1 24 19 5  o 0 -0.7   8.5   ?    ?   80.8646  -16.5255     18.1684    -16.5255     28.5486     163.474      
1 1 1 24 19 6  o 0 18.6   10.9  ?    ?   192.831  26.5725      88.3548    26.5725      23.3531     -153.427     
1 1 1 24 19 7  f 1 5.4    8.6   ?    ?   119.531  55.1038      38.9308    55.1038      30.2902     -124.896     
1 1 1 24 19 8  o 0 26.6   11.8  ?    ?   204.497  56.9892      125.114    56.9892      6.1775      56.9892      
1 1 1 24 19 9  o 0 103.3  15.7  ?    ?   451.391  -68.6936     329.272    -68.6936     90.5374     -68.6936     
1 1 1 24 19 10 o 0 8.1    10.4  ?    ?   192.109  -90.323      48.1283    -90.3231     53.5529     89.6769      
1 1 1 24 19 11 o 0 8.1    11.6  ?    ?   134.951  -16.725      72.361     -16.725      0.911998    -16.725      
1 1 1 24 20 0  o 0 -13.7  12.8  ?    ?   80.3809  180          15.3257    180          29.5155     -1.50656e-13 
1 1 1 24 20 1  o 0 -5     8.5   ?    ?   133.875  -118.934     3.28286    61.0663      78.3953     61.0663      
1 1 1 24 20 2  o 0 2.8    7.2   ?    ?   72.3105  -42.5648     20.8315    -42.5648     19.9483     137.435      
1 1 1 24 20 3  o 0 17.3   8.5   ?    ?   201.666  -80.339      94.9125    -80.339      8.85397     99.661       
1 1 1 24 20 4  o 0 13.5   8.4   ?    ?   197.71   52.329       71.805     52.329       30.3347     -127.671     
1 1 1 24 20 5  o 0 -11.8  10.3  ?    ?   40.3538  105.261      12.7854    105.261      8.13426     -74.7385     
1 1 1 24 20 6  o 0 -1.7   14.3  ?    ?   55.1715  -21.9136     48.9033    -21.9136     20.218      -21.9136     
1 1 1 24 20 7  o 0 3.1    11.9  ?    ?   152.924  -15.3962     49.3064    -15.3962     30.3956     164.604      
1 1 1 24 20 8  o 0 9.1    11.2  ?    ?   123.1    -108.209     77.6742    -108.209     13.3931     -108.209     
1 1 1 24 21 0  o 0 33.4   10.3  ?    ?   387.216  180          148.64     180          44.8922     -6.03773e-14 
1 1 1 25 0  1  o 0 -16.3  10.9  ?    ?   193.001  90           9.92905    90           96.7541     -90          
1 1 1 25 0  2  o 0 58.9   19.7  ?    ?   469.985  180          188.482    180          72.2859     1.82958e-14  
1 1 1 25 0  4  o 0 33     22    ?    ?   55.7946  180          39.8164    180          9.11683     180          
1 1 1 25 0  5  o 0 -2.8   12.5  ?    ?   169.708  90           20.398     90           73.1565     -90          
1 1 1 25 0  6  o 0 263.6  31.1  ?    ?   639.574  180          433.758    180          80.7151     180          
1 1 1 25 0  7  o 0 105.6  16.7  ?    ?   85.6294  90           226.28     90           178.977     90           
1 1 1 25 0  8  o 0 13.1   13.3  ?    ?   119.105  1.41551e-16  34.6754    0            31.1365     -180         
1 1 1 25 0  9  o 0 9.7    13.6  ?    ?   218.939  -90          47.0498    -90          73.8919     90           
1 1 1 25 0  10 o 0 77     23.5  ?    ?   392.579  180          219.259    180          7.43827     2.06356e-13  
1 1 1 25 0  11 o 0 68.2   12.8  ?    ?   206.079  90           268.717    90           121.219     90           
1 1 1 25 0  12 o 0 -6.3   11.2  ?    ?   60.7148  -2.19815e-14 8.1967     0            35.1838     180          
1 1 1 25 0  13 o 0 11.9   13.7  ?    ?   20.4921  90           10.3561    90           4.54738     -90          
1 1 1 25 0  14 o 0 14.5   12.7  ?    ?   97.8662  -1.37883e-14 51.6176    0            19.3702     180          
1 1 1 25 0  15 o 0 74.2   15.5  ?    ?   104.082  90           259.171    90           183.908     90           
1 1 1 25 0  16 o 0 127.2  20.6  ?    ?   446.57   180          363.398    180          40.9143     -180         
1 1 1 25 0  17 o 0 -2.6   12.6  ?    ?   50.9458  -90          12.1144    -90          24.5288     90           
1 1 1 25 0  18 o 0 1.5    12.3  ?    ?   96.9247  180          28.2706    180          39.6257     -1.95834e-14 
1 1 1 25 0  19 o 0 12.2   11.9  ?    ?   146.473  90           65.828     90           36.2766     -90          
1 1 1 25 0  20 o 0 36     13.4  ?    ?   118.028  -6.00724e-15 155.845    0            76.2663     6.26816e-15  
1 1 1 25 0  21 o 0 7.1    12.7  ?    ?   14.9678  -90          6.58742    -90          3.44601     90           
1 1 1 25 0  22 o 0 4.4    13.7  ?    ?   65.3203  180          27.7565    180          15.2639     1.03104e-15  
1 1 1 25 0  23 o 0 -9.1   13    ?    ?   71.1971  -90          18.4069    -90          25.5485     90           
1 1 1 25 1  0  o 0 7.1    13.3  ?    ?   27.5106  90           5.3387     90           9.77546     -90          
1 1 1 25 1  1  o 0 -4.4   16.8  ?    ?   207.999  -68.4771     18.7384    111.523      133.514     111.523      
1 1 1 25 1  2  o 0 -1.9   8.6   ?    ?   84.3418  179.217      20.2532    -0.782718    66.9675     -0.782718    
1 1 1 25 1  3  o 0 88.6   12.1  ?    ?   473.474  101.587      215.148    101.587      47.9043     -78.4126     
1 1 1 25 1  4  f 1 9.5    9     ?    ?   55.9324  151.845      8.99502    151.845      21.6457     -28.1552     
1 1 1 25 1  5  o 0 14.4   11.5  ?    ?   201.77   58.6826      31.5216    58.6826      79.5057     -121.317     
1 1 1 25 1  6  o 0 132.3  21.9  ?    ?   480.008  95.7352      323.66     95.7352      59.1795     95.7352      
1 1 1 25 1  7  o 0 16.7   8.7   ?    ?   199.425  70.1557      41.6497    70.1557      68.3169     -109.844     
1 1 1 25 1  8  o 0 25.8   9.1   ?    ?   190.191  -65.034      98.3852    -65.034      6.51588     114.966      
1 1 1 25 1  9  f 1 93.9   11.8  ?    ?   383.002  80.9539      282.982    80.9539      72.3308     80.9539      
1 1 1 25 1  10 o 0 86.1   11.4  ?    ?   319.637  -33.9438     286.099    -33.9438     101.844     -33.9438     
1 1 1 25 1  11 o 0 42.3   8.8   ?    ?   171.385  171.057      239.941    171.057      117.484     171.057      
1 1 1 25 1  12 o 0 -1.3   9.2   ?    ?   250.693  -28.0295     74.3592    151.97       253.182     151.97       
1 1 1 25 1  13 o 0 -1.3   8.3   ?    ?   138.219  -45.7731     25.4248    134.227      125.788     134.227      
1 1 1 25 1  14 o 0 22.3   9.8   ?    ?   313.707  1.23551      39.7259    1.23551      187.475     -178.764     
1 1 1 25 1  15 o 0 91.5   11.4  ?    ?   439.22   -164.995     291.215    -164.995     25.9269     15.0054      
1 1 1 25 1  16 o 0 193.4  19.2  ?    ?   345.432  156.659      630.707    156.659      381.601     156.659      
1 1 1 25 1  17 o 0 49.3   9.7   ?    ?   203.408  91.5643      267.803    91.5643      121.69      91.5643      
1 1 1 25 1  18 o 0 -11.7  9.2   ?    ?   63.0705  1.07025      13.1717    -178.93      57.3        -178.93      
1 1 1 25 1  19 o 0 1.3    8.8   ?    ?   57.0542  64.2552      8.27323    64.2552      31.4548     -115.745     
1 1 1 25 1  20 o 0 9      9.2   ?    ?   79.0983  137.018      45.7501    137.018      7.52776     -42.9818     
1 1 1 25 1  21 o 0 9.5    9     ?    ?   130.489  -62.798      48.0612    -62.798      39.3327     117.202      
1 1 1 25 1  22 o 0 24.8   10.1  ?    ?   95.6347  -79.0855     159.196    -79.0855     96.2593     -79.0855     
1 1 1 25 1  23 f 1 1.4    9.4   ?    ?   50.416   -6.31906     25.3983    -6.31906     5.62695     173.681      
1 1 1 25 1  24 o 0 35.2   13.9  ?    ?   228.593  61.6614      156.794    61.6614      16.7565     61.6614      
1 1 1 25 1  25 f 1 -4.4   13.7  ?    ?   72.215   -99.9434     50.352     -99.9434     10.5783     -99.9434     
1 1 1 25 2  0  o 0 106.8  27.4  ?    ?   384.203  90           259.245    90           48.685      90           
1 1 1 25 2  1  o 0 20.7   11.4  ?    ?   183.622  -85.1127     56.2647    -85.1127     44.8076     94.8873      
1 1 1 25 2  2  o 0 138.6  19.1  ?    ?   517.274  -111.153     312.803    -111.153     27.0195     -111.153     
1 1 1 25 2  3  o 0 72.4   11.2  ?    ?   648.766  67.521       82.6671    67.521       271.88      -112.479     
1 1 1 25 2  4  f 1 26.1   9.4   ?    ?   410.826  2.77472      14.53      2.77472      209.96      -177.225     
1 1 1 25 2  5  o 0 28.6   10.2  ?    ?   251.37   56.9593      95.2696    56.9593      42.7022     -123.041     
1 1 1 25 2  6  o 0 59.5   12.5  ?    ?   233.184  -16.1342     236.439    -16.1342     108.278     -16.1342     
1 1 1 25 2  7  o 0 115.6  20    ?    ?   575.221  -133.68      234.808    -133.68      81.5904     46.3199      
1 1 1 25 2  8  o 0 202.9  21.7  ?    ?   513.629  94.5144      456.87     94.5144      174.271     94.5144      
1 1 1 25 2  9  o 0 30.7   10    ?    ?   220.188  4.28463      115.739    4.28463      5.38237     -175.715     
1 1 1 25 2  10 o 0 158    16.5  ?    ?   523.493  72.4927      353.89     72.4927      52.8396     72.4927      
1 1 1 25 2  11 o 0 56.4   10.6  ?    ?   320.327  -131.522     232.85     -131.522     4.50388     -131.522     
1 1 1 25 2  12 o 0 16.1   8.1   ?    ?   148.66   -72.6844     62.7717    -72.6844     43.0292     107.316      
1 1 1 25 2  13 o 0 70.5   10.4  ?    ?   215.057  -156.856     355.709    -156.856     199.896     -156.856     
1 1 1 25 2  14 o 0 23.2   8.1   ?    ?   237.33   38.9573      96.3873    38.9573      75.1319     -141.043     
1 1 1 25 2  15 o 0 103.5  11.7  ?    ?   356.822  -8.47411     385.788    -8.47411     128.67      -8.47411     
1 1 1 25 2  16 o 0 13.9   8.5   ?    ?   175.455  -120.092     54.8615    -120.092     71.418      59.9077      
1 1 1 25 2  17 o 0 11.3   8.6   ?    ?   140.153  141.859      46.3811    141.859      54.1063     -38.141      
1 1 1 25 2  18 o 0 -3.7   8.2   ?    ?   78.8903  -149.563     8.37017    30.4374      63.469      30.4374      
1 1 1 25 2  19 o 0 47.2   9.8   ?    ?   318.337  43.9522      192.632    43.9522      28.6613     -136.048     
1 1 1 25 2  20 o 0 16     9.6   ?    ?   172.24   141.692      79.6263    141.692      36.2068     -38.308      
1 1 1 25 2  21 o 0 19.6   9.6   ?    ?   154.987  141.886      116.741    141.886      14.2648     141.886      
1 1 1 25 2  22 o 0 -5.5   9.8   ?    ?   19.9504  -172.63      2.93196    -172.63      10.1797     7.36981      
1 1 1 25 2  23 o 0 6.2    9.4   ?    ?   57.665   123.772      43.451     123.772      7.91693     123.772      
1 1 1 25 2  24 o 0 18.2   12.5  ?    ?   117.127  81.8518      130.533    81.8518      65.4366     81.8518      
1 1 1 25 2  25 f 1 19.8   15.9  ?    ?   206.639  -55.5664     96.8972    -55.5664     16.8016     124.434      
1 1 1 25 3  0  o 0 4.8    15.4  ?    ?   41.9049  -90          7.92181    -90          14.9704     90           
1 1 1 25 3  1  o 0 -0.1   9.3   ?    ?   151.116  129.424      24.3463    -50.5761     106.109     -50.5761     
1 1 1 25 3  2  o 0 23     8.7   ?    ?   465.724  -82.7209     29.091     97.2792      282.009     97.2792      
1 1 1 25 3  3  o 0 19     10.9  ?    ?   114.932  -119.888     57.8192    -119.888     4.78865     60.1119      
1 1 1 25 3  4  o 0 4.4    9.5   ?    ?   94.5029  117.461      1.99183    -62.5386     53.5989     -62.5386     
1 1 1 25 3  5  o 0 41.5   11.2  ?    ?   281.571  -159.679     148.497    -159.679     5.55984     20.3209      
1 1 1 25 3  6  o 0 191.4  22.8  ?    ?   694.361  -169.339     338.188    -169.339     42.235      10.6611      
1 1 1 25 3  7  o 0 210.4  21.8  ?    ?   640.208  33.9467      404.42     33.9467      53.375      33.9467      
1 1 1 25 3  8  o 0 76     12.8  ?    ?   401.308  -2.81619     217.812    -2.81619     2.30799     177.184      
1 1 1 25 3  9  o 0 71.1   11.5  ?    ?   139.153  -35.2023     302.081    -35.2023     222.244     -35.2023     
1 1 1 25 3  10 o 0 13.2   9.2   ?    ?   216.265  14.0974      19.0291    14.0974      104.97      -165.903     
1 1 1 25 3  11 o 0 120    14.8  ?    ?   466.824  -59.1018     366.473    -59.1018     34.6652     -59.1018     
1 1 1 25 3  12 f 1 46.4   8.6   ?    ?   288.171  122.546      206.096    122.546      2.11482     122.546      
1 1 1 25 3  13 o 0 -0.9   7.9   ?    ?   103      122.37       16.6941    -57.6304     91.1126     -57.6304     
1 1 1 25 3  14 o 0 96.8   11.3  ?    ?   339.075  97.3792      375.921    97.3792      131.53      97.3792      
1 1 1 25 3  15 o 0 102.8  12.6  ?    ?   408.189  102.251      347.775    102.251      53.7655     102.251      
1 1 1 25 3  16 o 0 182    16.5  ?    ?   513.696  -53.0322     492.074    -53.0322     123.286     -53.0322     
1 1 1 25 3  17 o 0 15.7   8.9   ?    ?   168.306  -129.681     69.8157    -129.681     50.5648     50.3192      
1 1 1 25 3  18 o 0 66.9   10    ?    ?   345.066  -100.943     264.888    -100.943     24.4461     -100.943     
1 1 1 25 3  19 o 0 40.3   9.4   ?    ?   279.391  -37.0205     181.255    -37.0205     12.5341     142.979      
1 1 1 25 3  20 o 0 89.8   11.7  ?    ?   343.058  55.6478      351.401    55.6478      121.178     55.6478      
1 1 1 25 3  21 o 0 -1     9.9   ?    ?   32.5897  112.908      10.5809    112.908      10.9241     -67.0921     
1 1 1 25 3  22 f 1 71.1   11.6  ?    ?   237.743  64.1967      341.677    64.1967      186.125     64.1967      
1 1 1 25 3  23 o 0 31.1   10.4  ?    ?   193.68   -166.795     175.769    -166.795     56.6313     -166.795     
1 1 1 25 3  24 o 0 66.8   14.5  ?    ?   283.794  -131.958     304.056    -131.958     146.589     -131.958     
1 1 1 25 3  25 o 0 -0.5   13.8  ?    ?   166.064  30.3772      45.5708    30.3772      45.8988     -149.623     
1 1 1 25 4  0  o 0 27.2   12.3  ?    ?   300.385  -90          113.05     -90          48.1385     90           
1 1 1 25 4  1  o 0 51.2   8.7   ?    ?   275.676  -133.592     190.098    -133.592     41.5233     -133.592     
1 1 1 25 4  2  o 0 115.4  11.8  ?    ?   642.055  33.4901      205.307    33.4901      142.014     -146.51      
1 1 1 25 4  3  f 1 25     8.6   ?    ?   466.109  162.006      16.7402    -17.9939     269.015     -17.9939     
1 1 1 25 4  4  o 0 15.3   8     ?    ?   152.817  122.251      39.1034    122.251      44.028      -57.7487     
1 1 1 25 4  5  f 1 180.1  19.9  ?    ?   643.71   128.849      344.466    128.849      5.4854      -51.1509     
1 1 1 25 4  6  o 0 36.4   10.2  ?    ?   276.134  168.159      128.485    168.159      22.2322     -11.841      
1 1 1 25 4  7  o 0 237    27.3  ?    ?   747.594  -38.6118     387.355    -38.6118     21.0488     141.388      
1 1 1 25 4  8  o 0 93     11.5  ?    ?   327.429  -102.216     303.314    -102.216     124.375     -102.216     
1 1 1 25 4  9  o 0 4.8    8.5   ?    ?   109.528  -14.5578     1.66138    165.442      64.275      165.442      
1 1 1 25 4  10 o 0 6.6    8.3   ?    ?   95.3791  14.8786      5.83807    14.8786      61.7897     -165.121     
1 1 1 25 4  11 f 1 33.3   9.1   ?    ?   169.104  -66.502      186.04     -66.5021     66.5695     -66.5021     
1 1 1 25 4  12 o 0 53.8   10.6  ?    ?   144.76   -174.578     310.063    -174.578     205.618     -174.578     
1 1 1 25 4  13 o 0 16.9   8.2   ?    ?   115.177  -25.2881     85.182     -25.2881     2.24089     -25.2881     
1 1 1 25 4  14 o 0 3.5    7.9   ?    ?   148.81   2.99336      10.9933    -177.007     117.903     -177.007     
1 1 1 25 4  15 o 0 33.5   8.5   ?    ?   192.807  83.4108      191.667    83.4108      53.2268     83.4108      
1 1 1 25 4  16 o 0 10.2   8.7   ?    ?   106.904  155.326      42.9488    155.326      33.5659     -24.6737     
1 1 1 25 4  17 o 0 -15.7  8.5   ?    ?   70.3768  -77.9033     22.4792    102.097      71.577      102.097      
1 1 1 25 4  18 f 1 -13.2  8.8   ?    ?   94.0393  -97.5151     25.648     82.4849      90.8206     82.4849      
1 1 1 25 4  19 o 0 27.8   9.4   ?    ?   242.758  -63.2691     128.119    -63.2691     35.1662     116.731      
1 1 1 25 4  20 o 0 4.2    8.9   ?    ?   179.028  -88.3899     4.23282    -88.3899     115.595     91.6101      
1 1 1 25 4  21 o 0 15.4   9.5   ?    ?   119.554  -71.1893     96.0166    -71.1893     17.3245     -71.1893     
1 1 1 25 4  22 o 0 2.8    9.5   ?    ?   89.2799  71.356       26.6367    71.356       31.7881     -108.644     
1 1 1 25 4  23 o 0 -0.2   10.6  ?    ?   91.542   -115.008     31.7609    -115.008     24.4207     64.9917      
1 1 1 25 4  24 o 0 33.3   11.8  ?    ?   238.971  -75.8418     167.528    -75.8418     35.2185     -75.8418     
1 1 1 25 5  0  o 0 83.7   13.7  ?    ?   488.229  90           236.372    90           24.415      -90          
1 1 1 25 5  1  o 0 30.9   7.6   ?    ?   446.591  156.291      27.809     156.291      211.783     -23.709      
1 1 1 25 5  2  o 0 137.2  13.6  ?    ?   667.79   150.997      241.524    150.997      118.082     -29.003      
1 1 1 25 5  3  o 0 174.9  16.4  ?    ?   622.121  -1.73108     344.646    -1.73108     8.5805      -1.73108     
1 1 1 25 5  4  o 0 13.6   7.4   ?    ?   129.567  -31.5249     29.2186    -31.5249     40.9512     148.475      
1 1 1 25 5  5  o 0 54.1   9.3   ?    ?   365.275  20.2547      162.513    20.2547      35.703      -159.745     
1 1 1 25 5  6  o 0 45.7   9.6   ?    ?   158.587  -60.1167     198.849    -60.1167     112.667     -60.1167     
1 1 1 25 5  7  o 0 118.1  12.9  ?    ?   436.152  -171.487     315.74     -171.487     78.4953     -171.487     
1 1 1 25 5  8  o 0 3.2    8.2   ?    ?   153.438  -26.1163     16.9078    153.884      104.263     153.884      
1 1 1 25 5  9  o 0 5.8    8.8   ?    ?   125.062  86.8001      1.13242    86.8001      87.2249     -93.1999     
1 1 1 25 5  10 o 0 10.6   8     ?    ?   111.449  -64.7598     25.0363    -64.7598     53.6639     115.24       
1 1 1 25 5  11 o 0 57.8   11.5  ?    ?   98.8265  -127.145     299.203    -127.145     229.483     -127.145     
1 1 1 25 5  12 o 0 6.7    7.9   ?    ?   188.904  -110.53      6.39865    69.4698      142.16      69.4698      
1 1 1 25 5  13 o 0 21.8   8.9   ?    ?   120.624  -59.901      120.99     -59.901      34.4577     -59.901      
1 1 1 25 5  14 o 0 17.5   9.1   ?    ?   129.219  -81.3934     87.0574    -81.3934     5.43164     98.6066      
1 1 1 25 5  15 o 0 74.2   10.5  ?    ?   495.053  89.3769      187.588    89.3769      166.579     -90.6231     
1 1 1 25 5  16 o 0 38.6   8.8   ?    ?   135.17   33.0997      238.879    33.0997      142.475     33.0997      
1 1 1 25 5  17 o 0 -5.3   8.4   ?    ?   148.268  -4.76702     30.6336    175.233      133.716     175.233      
1 1 1 25 5  18 f 1 29     8.7   ?    ?   129.233  -140.071     188.503    -140.071     99.2379     -140.071     
1 1 1 25 5  19 o 0 6.8    10    ?    ?   107.863  -0.747457    40.2381    -0.747457    32.0797     179.253      
1 1 1 25 5  20 o 0 -7     8.7   ?    ?   76.1986  -44.0192     8.62568    135.981      59.4687     135.981      
1 1 1 25 5  21 o 0 10.8   9     ?    ?   68.2248  -133.293     59.4564    -133.293     14.6848     -133.293     
1 1 1 25 5  22 o 0 25.9   9.7   ?    ?   113.479  137.777      177.813    137.777      107.933     137.777      
1 1 1 25 5  23 o 0 18.1   10.8  ?    ?   141.429  -149.258     110.16     -149.258     23.6018     -149.258     
1 1 1 25 5  24 o 0 47.3   14.2  ?    ?   157.372  88.9377      262.119    88.9377      175.219     88.9377      
1 1 1 25 6  0  o 0 19.8   9.6   ?    ?   38.4149  90           19.4103    90           1.00181     -90          
1 1 1 25 6  1  f 1 5.9    7.8   ?    ?   223.865  82.4105      29.1163    -97.5895     148.288     -97.5895     
1 1 1 25 6  2  o 0 115.3  12.5  ?    ?   388.953  -104.058     327.442    -104.058     119.066     -104.058     
1 1 1 25 6  3  o 0 95.6   11.2  ?    ?   449.765  6.9476       248.995    6.9476       7.27116     6.9476       
1 1 1 25 6  4  o 0 20.4   8.9   ?    ?   166.184  -45.4345     67.3109    -45.4345     22.237      134.566      
1 1 1 25 6  5  o 0 92.6   10.3  ?    ?   435.837  -13.5963     249.145    -13.5963     13.8116     -13.5963     
1 1 1 25 6  6  o 0 55.8   8.7   ?    ?   275.352  28.9069      206.333    28.9069      50.552      28.9069      
1 1 1 25 6  7  o 0 181.9  17.2  ?    ?   763.423  -158.161     266.444    -158.161     165.9       21.8386      
1 1 1 25 6  8  o 0 2.1    7.8   ?    ?   44.4954  171.302      5.11302    -8.69815     36.4014     -8.69815     
1 1 1 25 6  9  o 0 -5.4   8.9   ?    ?   88.8066  -145.871     24.412     34.1291      86.8621     34.1291      
1 1 1 25 6  10 f 1 28.8   9.7   ?    ?   203.005  119.924      138.414    119.924      3.91615     -60.0759     
1 1 1 25 6  11 o 0 5.6    8.4   ?    ?   140.975  56.7828      5.53171    56.7828      95.4702     -123.217     
1 1 1 25 6  12 o 0 84.9   10    ?    ?   350.849  -92.8273     325.909    -92.8273     74.8698     -92.8273     
1 1 1 25 6  13 o 0 5.7    8.1   ?    ?   123.78   -140.747     7.83003    -140.747     80.5839     39.2527      
1 1 1 25 6  14 f 1 25     8.1   ?    ?   178.992  -44.9789     138.564    -44.9789     11.0371     -44.9789     
1 1 1 25 6  15 o 0 69     9.7   ?    ?   322.806  154.715      281.906    154.715      51.9157     154.715      
1 1 1 25 6  16 o 0 12     9.2   ?    ?   47.6718  -81.9417     42.3179    -81.9417     9.19057     -81.9417     
1 1 1 25 6  17 o 0 18.7   10.4  ?    ?   80.302   27.6408      100.031    27.6408      44.4193     27.6408      
1 1 1 25 6  18 o 0 10.6   10.1  ?    ?   61.2877  158.018      49.1597    158.018      8.04549     158.018      
1 1 1 25 6  19 o 0 22.5   9.7   ?    ?   197.943  -100.365     112.85     -100.365     19.3732     79.6349      
1 1 1 25 6  20 o 0 5.9    9.1   ?    ?   115.909  -165.342     38.6794    -165.342     37.5107     14.6584      
1 1 1 25 6  21 o 0 -3.1   9.3   ?    ?   24.3236  -139.009     4.26927    -139.009     11.6374     40.9913      
1 1 1 25 6  22 o 0 5.7    8.7   ?    ?   117.495  175.939      43.8698    175.939      28.2407     -4.0614      
1 1 1 25 6  23 o 0 7.1    10.7  ?    ?   162.928  -73.7402     60.567     -73.7402     29.7047     106.26       
1 1 1 25 7  0  o 0 19     11    ?    ?   240.087  -90          76.2119    -90          50.616      90           
1 1 1 25 7  1  o 0 5.8    7.4   ?    ?   124.85   -150.196     9.04942    29.8037      75.2982     29.8037      
1 1 1 25 7  2  o 0 45.5   8.2   ?    ?   75.3807  -55.5432     156.119    -55.5432     115.965     -55.5432     
1 1 1 25 7  3  o 0 6.7    7.7   ?    ?   88.5081  155.361      1.07558    -24.6388     48.375      -24.6388     
1 1 1 25 7  4  o 0 0.1    7.7   ?    ?   94.741   -94.8287     15.7643    85.1713      68.8747     85.1713      
1 1 1 25 7  5  o 0 20.3   7.8   ?    ?   200.969  5.69907      67.5596    5.69907      45.3413     -174.301     
1 1 1 25 7  6  o 0 40.8   8.2   ?    ?   180.99   82.6767      181.261    82.6767      79.4208     82.6767      
1 1 1 25 7  7  o 0 89.1   11.1  ?    ?   242.35   -124.84      400.089    -124.84      230.67      -124.84      
1 1 1 25 7  8  o 0 4.5    8     ?    ?   102.275  175.409      5.31107    -4.59078     76.852      -4.59078     
1 1 1 25 7  9  o 0 14.4   7.6   ?    ?   182.006  -109.287     41.3445    -109.287     85.9854     70.7131      
1 1 1 25 7  10 f 1 5.6    7.9   ?    ?   127.179  -142.16      5.83348    -142.16      84.6675     37.84        
1 1 1 25 7  11 o 0 93     11.8  ?    ?   214.678  86.8385      431.583    86.8385      278.541     86.8385      
1 1 1 25 7  12 o 0 9.4    8.2   ?    ?   31.5929  40.0442      14.6087    40.0442      7.88661     -139.956     
1 1 1 25 7  13 o 0 -7.5   9.1   ?    ?   60.0432  -33.4686     11.1114    146.531      53.8886     146.531      
1 1 1 25 7  14 o 0 13     7.9   ?    ?   154.831  99.7769      53.9001    99.7769      56.1818     -80.2231     
1 1 1 25 7  15 o 0 60.2   9.5   ?    ?   247.773  -114.897     289.543    -114.897     113.816     -114.897     
1 1 1 25 7  16 o 0 83.3   10.8  ?    ?   310.943  -118         345.609    -118         130.498     -118         
1 1 1 25 7  17 o 0 12.2   8.2   ?    ?   203.794  -157.848     34.2739    -157.848     106.245     22.152       
1 1 1 25 7  18 o 0 3.8    9.4   ?    ?   165.947  -33.1819     10.1761    -33.1819     100.675     146.818      
1 1 1 25 7  19 o 0 16.2   10.1  ?    ?   141.7    50.4437      88.6573    50.4437      5.60443     -129.556     
1 1 1 25 7  20 o 0 80.9   10.9  ?    ?   343.373  123.581      320.557    123.581      95.7577     123.581      
1 1 1 25 7  21 o 0 1.4    9     ?    ?   69.4247  -1.11281     28.5074    -1.11281     14.1714     178.887      
1 1 1 25 7  22 o 0 5.2    9     ?    ?   122.633  -52.5848     41.2876    -52.5848     33.69       127.415      
1 1 1 25 7  23 o 0 0.5    13.1  ?    ?   29.3527  99.4779      32.9646    99.4779      16.7615     99.4779      
1 1 1 25 8  0  o 0 -21.5  10    ?    ?   33.5691  90           1.62493    90           16.8078     -90          
1 1 1 25 8  1  o 0 19.4   8     ?    ?   169.312  -19.902      67.6341    -19.902      25.7585     160.098      
1 1 1 25 8  2  o 0 47.9   8.8   ?    ?   242.685  -122.099     186.081    -122.099     51.6889     -122.099     
1 1 1 25 8  3  o 0 41.7   8.7   ?    ?   287.146  144.927      143.148    144.927      16.3969     -35.073      
1 1 1 25 8  4  o 0 26.9   7.9   ?    ?   88.6963  127.825      130.906    127.825      69.5776     127.825      
1 1 1 25 8  5  o 0 15.9   7.8   ?    ?   149.548  139.885      60.1262    139.885      43.5083     -40.1151     
1 1 1 25 8  6  o 0 61.4   8.8   ?    ?   280.918  -157.029     273.352    -157.029     78.3488     -157.029     
1 1 1 25 8  7  o 0 74.3   10.4  ?    ?   343.379  -31.3228     286.995    -31.3228     48.3488     -31.3228     
1 1 1 25 8  8  o 0 13.2   8.5   ?    ?   139.077  106.937      55.1232    106.937      43.5494     -73.0628     
1 1 1 25 8  9  o 0 7.6    8.9   ?    ?   57.6387  -85.476      19.1559    -85.476      21.7475     94.524       
1 1 1 25 8  10 o 0 20.9   8.1   ?    ?   168.1    10.4269      107.845    10.4269      11.4208     -169.573     
1 1 1 25 8  11 o 0 51     9.6   ?    ?   348.684  111.263      186.548    111.263      60.678      -68.7367     
1 1 1 25 8  12 o 0 4.9    7.2   ?    ?   137.6    65.4676      0.0876753  -114.532     97.7573     -114.532     
1 1 1 25 8  13 o 0 2.5    7.6   ?    ?   46.7234  -139.191     2.19227    -139.191     30.9218     40.8086      
1 1 1 25 8  14 f 1 2.4    8.5   ?    ?   158.362  36.0113      11.2319    -143.989     122.961     -143.989     
1 1 1 25 8  15 o 0 4.8    8.6   ?    ?   81.2784  -45.2897     20.5583    -45.2897     35.5512     134.71       
1 1 1 25 8  16 f 1 88.3   10.8  ?    ?   291.25   169.859      373.656    169.859      173.67      169.859      
1 1 1 25 8  17 o 0 36.9   8.7   ?    ?   221.27   105.076      201.085    105.076      53.436      105.076      
1 1 1 25 8  18 f 1 -12.4  8.5   ?    ?   77.598   -153.512     17.9723    26.4881      69.4318     26.4881      
1 1 1 25 8  19 o 0 103.9  13.8  ?    ?   358.032  71.8036      381.975    71.8036      147.578     71.8036      
1 1 1 25 8  20 o 0 60.9   10.8  ?    ?   301.947  -29.7749     262.77     -29.7749     65.9732     -29.7749     
1 1 1 25 8  21 f 1 45     14    ?    ?   249.263  -154.683     201.465    -154.683     49.29       -154.683     
1 1 1 25 8  22 f 1 15.9   9.3   ?    ?   29.2782  34.2278      71.9368    34.2278      55.7895     34.2278      
1 1 1 25 8  23 o 0 19.7   13.3  ?    ?   151.074  -153.583     122.361    -153.583     39.3111     -153.583     
1 1 1 25 9  0  o 0 10.9   12    ?    ?   178.641  90           54.3939    90           66.4877     -90          
1 1 1 25 9  1  o 0 12.7   8.1   ?    ?   117.279  -38.9211     37.3826    -38.9211     42.3455     141.079      
1 1 1 25 9  2  o 0 13.5   6.9   ?    ?   169.623  -65.9469     37.1388    -65.9469     78.6381     114.053      
1 1 1 25 9  3  o 0 28.9   8.2   ?    ?   164.263  -179.59      155.665    -179.59      43.1608     -179.59      
1 1 1 25 9  4  f 1 -9     7.2   ?    ?   77.1272  -36.8146     31.9862    143.185      84.8263     143.185      
1 1 1 25 9  5  o 0 29.5   7.8   ?    ?   224.839  154.492      140.706    154.492      14.0886     -25.5083     
1 1 1 25 9  6  o 0 109.8  12.9  ?    ?   393.566  -170.401     371.918    -170.401     95.0081     -170.401     
1 1 1 25 9  7  o 0 48.8   9.2   ?    ?   332.623  0.752606     186.119    0.752606     48.2168     -179.247     
1 1 1 25 9  8  o 0 14     8.4   ?    ?   130.654  -32.1573     61.4367    -32.1573     30.6855     147.843      
1 1 1 25 9  9  o 0 -6     7.5   ?    ?   70.752   117.414      21.028     -62.5859     70.9315     -62.5859     
1 1 1 25 9  10 o 0 4.8    9.7   ?    ?   143.273  29.8396      7.72238    29.8396      93.3218     -150.16      
1 1 1 25 9  11 o 0 41.4   9.6   ?    ?   161.166  -116.893     242.795    -116.893     128.945     -116.893     
1 1 1 25 9  12 o 0 5.4    8.3   ?    ?   126.142  19.9315      11.5061    19.9315      77.5149     -160.068     
1 1 1 25 9  13 o 0 36.1   9.2   ?    ?   176.355  105.76       207.762    105.76       83.4812     105.76       
1 1 1 25 9  14 o 0 -1.2   7.6   ?    ?   123.932  -105.202     15.2587    74.7981      100.541     74.7981      
1 1 1 25 9  15 o 0 10.6   8.1   ?    ?   185.526  -153.368     31.6087    -153.368     95.7717     26.6318      
1 1 1 25 9  16 o 0 43.9   8.9   ?    ?   260.142  30.9383      215.595    30.9383      42.3776     30.9383      
1 1 1 25 9  17 o 0 -3.7   9.4   ?    ?   130.608  -13.8893     7.35867    166.111      94.0562     166.111      
1 1 1 25 9  18 o 0 10.7   9.5   ?    ?   58.6671  10.2306      54.556     10.2306      16.1887     10.2306      
1 1 1 25 9  19 o 0 6.8    10.2  ?    ?   22.3858  -31.0198     17.515     -31.0198     2.93256     -31.0198     
1 1 1 25 9  20 o 0 -0.2   9.1   ?    ?   136.803  -144.62      17.0643    -144.62      66.6704     35.3799      
1 1 1 25 9  21 o 0 13.2   9     ?    ?   101.546  -22.36       87.1895    -22.36       25.3328     -22.36       
1 1 1 25 9  22 o 0 -2.2   10.1  ?    ?   85.9324  -145.97      38.886     -145.97      8.40719     34.0296      
1 1 1 25 10 0  o 0 -3.3   13    ?    ?   5.31586  -90          1.1373     -90          2.5045      90           
1 1 1 25 10 1  o 0 70.2   9.8   ?    ?   331.216  177.064      272.138    177.064      44.1511     177.064      
1 1 1 25 10 2  o 0 242.3  20.3  ?    ?   585.775  157.797      557.22     157.797      152.345     157.797      
1 1 1 25 10 3  o 0 30.6   8.1   ?    ?   240.527  53.4452      143.438    53.4452      23.3987     -126.555     
1 1 1 25 10 4  o 0 7.1    7.5   ?    ?   174.952  29.7146      0.464293   -150.285     122.178     -150.285     
1 1 1 25 10 5  o 0 20.1   7.8   ?    ?   123.761  -70.2716     108.065    -70.2716     21.7537     -70.2716     
1 1 1 25 10 6  o 0 180.8  16.1  ?    ?   478.778  35.568       502.883    35.568       168.341     35.568       
1 1 1 25 10 7  o 0 153.7  15.8  ?    ?   385.19   147.918      496.066    147.918      226.535     147.918      
1 1 1 25 10 8  o 0 79.3   11.1  ?    ?   325.731  -10.8199     312.02     -10.8199     83.8808     -10.8199     
1 1 1 25 10 9  f 1 24.8   8.8   ?    ?   160.721  123.912      139.077    123.912      26.5001     123.912      
1 1 1 25 10 10 o 0 -0.9   7.9   ?    ?   29.0556  89.3683      1.9113     -90.6317     22.316      -90.6317     
1 1 1 25 10 11 o 0 147.8  17.4  ?    ?   432.02   -71.363      445.344    -71.363      142.084     -71.363      
1 1 1 25 10 12 o 0 26     7.8   ?    ?   209.39   79.7635      140.757    79.7635      2.90675     -100.237     
1 1 1 25 10 13 o 0 13.4   7.9   ?    ?   154.852  22.2026      63.4688    22.2026      42.6381     -157.797     
1 1 1 25 10 14 o 0 16.9   8.6   ?    ?   165.622  102.139      84.7691    102.139      28.5227     -77.8614     
1 1 1 25 10 15 o 0 11.2   7.9   ?    ?   92.6003  -79.8743     57.3609    -79.8743     4.10108     100.126      
1 1 1 25 10 16 o 0 75     9.8   ?    ?   376.928  -92.7236     276.956    -92.7236     27.4163     -92.7236     
1 1 1 25 10 17 o 0 24.1   9.4   ?    ?   164.936  -92.9082     142.966    -92.9082     35.3302     -92.9082     
1 1 1 25 10 18 o 0 1      8.7   ?    ?   107.475  -104.59      14.9903    -104.59      54.9087     75.4096      
1 1 1 25 10 19 o 0 -10.5  9.2   ?    ?   83.3127  117.104      0.310228   117.104      50.6302     -62.8962     
1 1 1 25 10 20 o 0 3.7    8.7   ?    ?   73.99    31.6788      34.039     31.6788      11.0089     -148.321     
1 1 1 25 10 21 o 0 2.2    8.9   ?    ?   82.8185  77.1611      46.6038    77.1611      1.02258     77.1611      
1 1 1 25 11 0  f 1 75.6   13.6  ?    ?   163.351  90           263.347    90           152.629     90           
1 1 1 25 11 1  o 0 71.7   10.2  ?    ?   343.763  166.567      267.299    166.567      32.5633     166.567      
1 1 1 25 11 2  o 0 93.4   11.4  ?    ?   290.713  16.1616      375.381    16.1616      176.026     16.1616      
1 1 1 25 11 3  o 0 155.1  14.7  ?    ?   424.573  -41.6144     468.43     -41.6144     176.212     -41.6144     
1 1 1 25 11 4  o 0 56.1   9.1   ?    ?   290.522  157.245      240.563    157.245      39.9858     157.245      
1 1 1 25 11 5  f 1 -3.7   7.4   ?    ?   196.91   -52.0088     63.423     127.991      199.369     127.991      
1 1 1 25 11 6  o 0 68.5   9.5   ?    ?   285.231  165.249      297.02     165.249      98.7494     165.249      
1 1 1 25 11 7  o 0 88.3   11.4  ?    ?   365.814  64.654       316.539    64.654       61.8596     64.654       
1 1 1 25 11 8  o 0 39.9   8.9   ?    ?   244.649  13.5449      193.29     13.5449      22.7848     13.5449      
1 1 1 25 11 9  o 0 30.6   10.9  ?    ?   210.505  -76.1842     146.871    -76.1842     0.0747857   -76.1842     
1 1 1 25 11 10 o 0 4.4    8.3   ?    ?   110.651  140.851      8.67127    140.851      68.502      -39.1487     
1 1 1 25 11 11 o 0 10.9   13.2  ?    ?   99.8429  109.765      64.7464    109.765      3.35385     -70.2353     
1 1 1 25 11 12 o 0 21.2   9.1   ?    ?   178.525  8.45611      111.051    8.45611      10.6256     -171.544     
1 1 1 25 11 13 o 0 18.8   8.2   ?    ?   168.447  -75.2275     97.9189    -75.2275     16.7531     104.773      
1 1 1 25 11 14 o 0 40     9.9   ?    ?   269.79   22.1384      185.434    22.1384      7.12616     22.1384      
1 1 1 25 11 15 o 0 13.3   8.9   ?    ?   106.151  -136.021     73.2996    -136.021     3.28482     -136.021     
1 1 1 25 11 16 o 0 49.7   9.1   ?    ?   260.787  151.985      244.33     151.985      74.684      151.985      
1 1 1 25 11 17 o 0 -9.8   8.3   ?    ?   62.8031  142.883      8.10687    -37.117      48.8441     -37.117      
1 1 1 25 11 18 o 0 21.7   8.5   ?    ?   192.701  168.177      125.413    168.177      7.83785     168.177      
1 1 1 25 11 19 o 0 19     8.7   ?    ?   165.738  -87.7097     113.083    -87.7097     12.3346     -87.7097     
1 1 1 25 11 20 o 0 72.7   14.4  ?    ?   378.586  16.0484      275.43     16.0484      67.2805     16.0484      
1 1 1 25 12 0  o 0 -12.5  10.4  ?    ?   35.4861  -90          4.08184    -90          19.8769     90           
1 1 1 25 12 1  o 0 30.3   7.4   ?    ?   268.194  -59.3543     126.488    -59.3543     55.4887     120.646      
1 1 1 25 12 2  o 0 193.1  15.8  ?    ?   480.528  -47.1708     516.444    -47.1708     188.963     -47.1708     
1 1 1 25 12 3  o 0 29.9   7.8   ?    ?   133.332  143.087      182.556    143.087      91.3448     143.087      
1 1 1 25 12 4  o 0 9.1    8.5   ?    ?   154.737  -151.918     26.7223    -151.918     79.476      28.0818      
1 1 1 25 12 5  o 0 34.7   8     ?    ?   131.348  38.9968      211.594    38.9968      121.204     38.9968      
1 1 1 25 12 6  o 0 40.6   9.6   ?    ?   273.189  -101.001     176.973    -101.001     11.439      78.9987      
1 1 1 25 12 7  f 1 62.1   10.6  ?    ?   473.958  95.2973      147.793    95.2973      178.794     -84.7027     
1 1 1 25 12 8  f 1 127.1  13.7  ?    ?   324.29   163.992      457.563    163.992      233.84      163.992      
1 1 1 25 12 9  o 0 1      8.7   ?    ?   135.518  0.0166252    2.11805    -179.983     93.8808     -179.983     
1 1 1 25 12 10 o 0 99     12.5  ?    ?   392.126  -170.782     338.152    -170.782     72.5631     -170.782     
1 1 1 25 12 11 o 0 83.4   10.9  ?    ?   369.757  -23.8347     301.569    -23.8347     51.1762     -23.8347     
1 1 1 25 12 12 o 0 14.9   8.9   ?    ?   64.6094  -94.4131     70.509     -94.4131     27.9905     -94.4131     
1 1 1 25 12 13 o 0 -3.2   8.7   ?    ?   56.6797  -147.205     0.859013   -147.205     36.4018     32.7954      
1 1 1 25 12 14 o 0 29.4   8.3   ?    ?   165.491  165.317      181.337    165.317      72.7057     165.317      
1 1 1 25 12 15 o 0 60.8   9.4   ?    ?   246.434  15.3207      299.357    15.3207      139.729     15.3207      
1 1 1 25 12 16 o 0 19.3   8.4   ?    ?   164.225  48.2573      109.905    48.2573      3.77589     48.2573      
1 1 1 25 12 17 f 1 22.1   8.9   ?    ?   190.695  44.7994      126.507    44.7994      10.8228     44.7994      
1 1 1 25 12 18 o 0 8.2    10.2  ?    ?   146.614  129.621      53.646     129.621      35.2422     -50.3788     
1 1 1 25 12 19 o 0 50.9   9.6   ?    ?   222.919  -44.201      286.295    -44.201      163.989     -44.201      
1 1 1 25 12 20 o 0 59.4   10.6  ?    ?   263.817  -11.1978     298.686    -11.1978     154.525     -11.1978     
1 1 1 25 13 0  f 1 102.3  14.6  ?    ?   226.43   -90          305.083    -90          153.995     -90          
1 1 1 25 13 1  o 0 2.3    6.9   ?    ?   102.259  22.8606      6.93024    -157.139     75.6905     -157.139     
1 1 1 25 13 2  o 0 141.9  13.4  ?    ?   486.318  113.605      386.214    113.605      57.7277     113.605      
1 1 1 25 13 3  o 0 78     11    ?    ?   462.617  -169.008     211.507    -169.008     102.204     10.9917      
1 1 1 25 13 4  o 0 18.8   8     ?    ?   215.147  -81.9324     71.3207    -81.9324     75.0702     98.0676      
1 1 1 25 13 5  o 0 19.4   8.6   ?    ?   281.138  -156.626     38.0204    -156.626     153.818     23.374       
1 1 1 25 13 6  o 0 146.4  15.3  ?    ?   511.026  -22.6006     389.699    -22.6006     47.7775     -22.6006     
1 1 1 25 13 7  o 0 27.9   7.7   ?    ?   140.824  104.456      176.655    104.456      82.2591     104.456      
1 1 1 25 13 8  o 0 2.7    10.6  ?    ?   108.925  -113.347     21.9499    -113.347     51.1616     66.6534      
1 1 1 25 13 9  o 0 69.3   12.6  ?    ?   298.603  100.818      285.413    100.818      84.8145     100.818      
1 1 1 25 13 10 f 1 90.7   14.2  ?    ?   404.404  -117.054     301.373    -117.054     37.7685     -117.054     
1 1 1 25 13 11 o 0 95.4   14.8  ?    ?   396.61   74.5068      319.194    74.5068      60.0153     74.5068      
1 1 1 25 13 12 o 0 46.1   9.8   ?    ?   250.408  19.8403      225.166    19.8403      61.6075     19.8403      
1 1 1 25 13 13 o 0 18.4   7.9   ?    ?   69.05    51.5116      108.772    51.5116      64.2224     51.5116      
1 1 1 25 13 14 o 0 32.9   7.7   ?    ?   304.614  136.328      135.65     136.328      60.6138     -43.6716     
1 1 1 25 13 15 f 1 -0.9   10.8  ?    ?   186.789  -80.9899     3.7866     99.0101      123.611     99.0101      
1 1 1 25 13 16 f 1 50.8   11.2  ?    ?   296.6    -52.0527     227.595    -52.0527     48.428      -52.0527     
1 1 1 25 13 17 o 0 -8.4   8     ?    ?   28.8047  -56.3275     0.00504321 123.673      17.404      123.673      
1 1 1 25 13 18 o 0 6.9    8.7   ?    ?   128.94   16.9309      61.8494    16.9309      8.67081     -163.069     
1 1 1 25 14 0  o 0 33.9   10.4  ?    ?   87.7286  90           133.343    90           76.4856     90           
1 1 1 25 14 1  o 0 24.8   7.8   ?    ?   268.494  -6.49907     90.0973    -6.49907     84.8335     173.501      
1 1 1 25 14 2  o 0 91.4   10.7  ?    ?   501.025  85.3471      237.947    85.3471      90.012      -94.6529     
1 1 1 25 14 3  o 0 -8.7   7.6   ?    ?   57.8639  -130.194     14.2165    49.8063      52.2483     49.8063      
1 1 1 25 14 4  o 0 -8.1   8.6   ?    ?   124.247  8.48744      26.1903    -171.513     108.143     -171.513     
1 1 1 25 14 5  o 0 52.2   10    ?    ?   227.047  -126.262     258.051    -126.262     107.841     -126.262     
1 1 1 25 14 6  o 0 44.9   8.6   ?    ?   209.156  -44.3914     236.899    -44.3914     98.1827     -44.3914     
1 1 1 25 14 7  o 0 -1.1   7.4   ?    ?   43.0167  172.541      2.35433    -7.45882     30.9404     -7.45882     
1 1 1 25 14 8  o 0 37.4   10.9  ?    ?   313.878  76.7775      138.701    76.7775      64.4272     -103.223     
1 1 1 25 14 9  o 0 35.4   11    ?    ?   264.173  118.503      150.783    118.503      20.3516     -61.4965     
1 1 1 25 14 10 f 1 27.3   9     ?    ?   238.736  100.361      124.492    100.361      29.8513     -79.6393     
1 1 1 25 14 11 o 0 24.7   11.4  ?    ?   307.533  -70.2873     62.5864    -70.2873     134.509     109.713      
1 1 1 25 14 12 o 0 0.9    8.2   ?    ?   106.173  -67.3352     11.9499    -67.3352     56.0716     112.665      
1 1 1 25 14 13 o 0 7.6    9.3   ?    ?   101.16   173.038      46.4743    173.038      18.2845     -6.96194     
1 1 1 25 14 14 o 0 -17.9  10.4  ?    ?   77.3994  74.2513      2.53818    -105.749     49.2412     -105.749     
1 1 1 25 14 15 o 0 11.9   9.6   ?    ?   197.997  48.273       50.997     48.273       68.277      -131.727     
1 1 1 25 14 16 o 0 -5.6   9.3   ?    ?   77.5283  -145.073     25.2826    -145.073     17.0465     34.9274      
1 1 1 25 14 17 o 0 20     8.6   ?    ?   288.256  -122.874     74.9057    -122.874     82.0812     57.126       
1 1 1 25 15 0  o 0 -8.1   10    ?    ?   44.7254  90           6.24207    90           22.4489     -90          
1 1 1 25 15 1  o 0 -3.7   6.9   ?    ?   85.5297  -97.4393     13.2227    82.5607      66.8653     82.5607      
1 1 1 25 15 2  o 0 46.6   7.9   ?    ?   340.084  -36.868      175.21     -36.868      39.1178     143.132      
1 1 1 25 15 3  o 0 36.8   9.3   ?    ?   252.573  -44.2641     172.44     -44.2641     12.5842     -44.2641     
1 1 1 25 15 4  o 0 3.4    8.6   ?    ?   41.9063  98.4321      12.19      98.4321      14.4312     -81.5679     
1 1 1 25 15 5  o 0 32.1   9.3   ?    ?   293.967  137.729      124.981    137.729      62.355      -42.2714     
1 1 1 25 15 6  o 0 3.6    8.4   ?    ?   174.46   -155.98      0.212378   -155.98      111.26      24.0205      
1 1 1 25 15 7  o 0 39.4   11.3  ?    ?   304.46   -4.07352     152.176    -4.07352     42.7771     175.926      
1 1 1 25 15 8  o 0 6      8.6   ?    ?   37.8639  -14.6044     17.1081    -14.6044     7.17692     165.396      
1 1 1 25 15 9  o 0 5.9    8.7   ?    ?   77.7397  -56.5012     35.4265    -56.5012     13.9271     123.499      
1 1 1 25 15 10 o 0 0.1    9.2   ?    ?   71.9266  -48.0689     16.5658    -48.0689     29.1292     131.931      
1 1 1 25 15 11 o 0 70.5   14.6  ?    ?   315.336  -105.657     272.501    -105.657     72.1202     -105.657     
1 1 1 25 15 12 o 0 46.4   10    ?    ?   229.817  149.011      246.42     149.011      108.628     149.011      
1 1 1 25 15 13 o 0 17.2   8.5   ?    ?   147.533  -16.2139     106.237    -16.2139     17.8376     -16.2139     
1 1 1 25 15 14 o 0 30.4   9.8   ?    ?   245.221  -32.4043     143.749    -32.4043     3.02256     147.596      
1 1 1 25 15 15 o 0 12.4   9     ?    ?   136.21   112.091      90.6997    112.091      16.7684     112.091      
1 1 1 25 15 16 o 0 50.7   9.4   ?    ?   269.131  141.091      260.813    141.091      115.022     141.091      
1 1 1 25 16 0  o 0 13.3   10.3  ?    ?   61.8349  90           34.6493    90           3.50859     -90          
1 1 1 25 16 1  o 0 58.6   8.6   ?    ?   360.177  -178.161     210.061    -178.161     13.4483     1.83903      
1 1 1 25 16 2  o 0 100.5  11.2  ?    ?   306.839  -155.517     381.675    -155.517     190.31      -155.517     
1 1 1 25 16 3  o 0 22.1   9.1   ?    ?   336.13   16.2197      32.2106    16.2197      178.353     -163.78      
1 1 1 25 16 4  o 0 2.1    8.4   ?    ?   75.3457  -54.0818     11.693     -54.0818     35.6893     125.918      
1 1 1 25 16 5  o 0 4.1    8.4   ?    ?   115.838  -12.4217     25         -12.4217     47.2623     167.578      
1 1 1 25 16 6  o 0 55.2   10.4  ?    ?   297.297  -20.6345     234.935    -20.6345     48.952      -20.6345     
1 1 1 25 16 7  o 0 9      8.7   ?    ?   137.39   131.53       48.0914    131.53       38.055      -48.4699     
1 1 1 25 16 8  o 0 18     10    ?    ?   149.513  -152.795     99.0226    -152.795     5.10511     -152.795     
1 1 1 25 16 9  o 0 16.1   17.3  ?    ?   152.32   -27.9552     87.6451    -27.9552     8.1627      152.045      
1 1 1 25 16 10 o 0 15.3   9.8   ?    ?   151.383  139.032      91.7486    139.032      1.81097     139.032      
1 1 1 25 16 11 o 0 69     10.3  ?    ?   305.865  151.036      296.599    151.036      114.811     151.036      
1 1 1 25 16 12 o 0 -7.9   8.2   ?    ?   51.76    -27.1897     0.632522   -27.1897     30.1285     152.81       
1 1 1 25 16 13 o 0 4.5    9.3   ?    ?   131.689  19.8784      52.0605    19.8784      18.9843     -160.122     
1 1 1 25 16 14 o 0 4.3    9.2   ?    ?   51.2956  -175.944     45.6384    -175.944     17.9914     -175.944     
1 1 1 25 17 0  o 0 -6.8   13.5  ?    ?   37.4728  -90          9.26418    -90          13.3407     90           
1 1 1 25 17 1  o 0 4.1    8.5   ?    ?   169.521  58.163       10.2553    58.163       92.5973     -121.837     
1 1 1 25 17 2  o 0 41.8   8.7   ?    ?   370.722  147.655      132.73     147.655      93.365      -32.3452     
1 1 1 25 17 3  o 0 20.3   8     ?    ?   238.81   122.822      79.2135    122.822      67.1037     -57.1778     
1 1 1 25 17 4  o 0 -13.1  8.6   ?    ?   40.0988  111.201      6.18123    -68.7985     30.8492     -68.7985     
1 1 1 25 17 5  o 0 -18.2  9.2   ?    ?   52.3129  -133.097     10.2042    46.9025      42.4993     46.9025      
1 1 1 25 17 6  o 0 59.2   13.3  ?    ?   299.471  173.345      247.179    173.345      72.183      173.345      
1 1 1 25 17 7  o 0 0.2    13.4  ?    ?   113.655  -162.526     45.4029    -162.526     21.1762     17.4743      
1 1 1 25 17 8  o 0 12     10.8  ?    ?   137.429  32.5922      73.7837    32.5922      6.88104     -147.408     
1 1 1 25 17 9  f 1 15.9   9.7   ?    ?   165.539  127.502      86.595     127.502      10.4643     -52.4977     
1 1 1 25 17 10 o 0 0.9    11.9  ?    ?   45.272   121.818      43.0504    121.818      18.8556     121.818      
1 1 1 25 17 11 o 0 39.4   10.7  ?    ?   354.834  -21.3187     152.317    -21.3187     37.421      158.681      
1 1 1 25 17 12 o 0 31.9   11.1  ?    ?   170.839  -59.2157     188.831    -59.2157     97.4709     -59.2157     
1 1 1 25 18 0  o 0 -10.4  10.3  ?    ?   119.83   90           18.8464    90           48.5672     -90          
1 1 1 25 18 1  o 0 28.2   9.2   ?    ?   186.755  42.8995      153.957    42.8995      48.2652     42.8995      
1 1 1 25 18 2  o 0 39.6   10.1  ?    ?   173.602  139.105      223.192    139.105      124.416     139.105      
1 1 1 25 18 3  o 0 13.4   7.9   ?    ?   151.333  107.255      75.5797    107.255      10.9396     -72.7446     
1 1 1 25 18 4  o 0 3.9    11.1  ?    ?   61.328   151.201      38.8503    151.201      3.63937     151.201      
1 1 1 25 18 5  o 0 9.6    10.8  ?    ?   71.4013  -127.11      61.5749    -127.11      20.4289     -127.11      
1 1 1 25 18 6  o 0 29.2   9.5   ?    ?   235.148  -25.8093     154.616    -25.8093     31.1527     -25.8093     
1 1 1 25 18 7  o 0 16.5   11    ?    ?   135.442  18.1586      110.177    18.1586      38.8747     18.1586      
1 1 1 25 18 8  o 0 4      11.2  ?    ?   142.545  67.6119      53.2602    67.6119      21.942      -112.388     
1 1 1 25 18 9  o 0 5.3    11.8  ?    ?   173.585  44.6059      49.431     44.6059      42.2994     -135.394     
1 1 1 25 19 0  f 1 16.4   10.3  ?    ?   37.6558  90           39.719     90           20.7651     90           
1 1 1 25 19 1  o 0 -4.7   7.4   ?    ?   81.3213  -119.807     12.8191    -119.807     28.4722     60.1925      
1 1 1 25 19 2  o 0 35.4   9.2   ?    ?   292.946  -49.1358     162.329    -49.1358     12.7555     -49.1358     
1 1 1 25 19 3  f 1 24.7   7.7   ?    ?   272.235  -60.7325     115.033    -60.7325     24.301      119.268      
1 1 1 25 19 4  o 0 2.6    8.8   ?    ?   15.1752  -178.439     12.9853    -178.439     5.16387     -178.439     
1 1 1 25 19 5  o 0 2      11.1  ?    ?   83.5557  9.97468      53.8811    9.97468      10.6481     9.97468      
1 1 1 25 19 6  < 0 43.9   10.2  ?    ?   ?        ?            ?          ?            ?           ?            
1 1 1 26 0  1  o 0 33.3   14.3  ?    ?   71.7552  90           67.7452    90           27.6876     90           
1 1 1 26 0  2  o 0 59.3   20    ?    ?   266.647  0            183.133    0            33.6143     0            
1 1 1 26 0  3  o 0 -15.2  16.1  ?    ?   5.76195  90           0.724577   90           2.51863     -90          
1 1 1 26 0  4  o 0 10.2   15.3  ?    ?   121.48   3.49196e-19  35.074     0            33.5201     -180         
1 1 1 26 0  5  o 0 -2.2   15.5  ?    ?   177.01   -90          36.6114    -90          87.7466     90           
1 1 1 26 0  6  o 0 34.2   12.5  ?    ?   80.3496  0            102.674    0            46.1125     0            
1 1 1 26 0  7  o 0 16.9   14.3  ?    ?   170.286  90           74.7634    90           45.2791     -90          
1 1 1 26 0  8  o 0 79.2   17.1  ?    ?   223.474  0            283.839    0            122.99      0            
1 1 1 26 0  9  f 1 43.4   17    ?    ?   345.978  -90          189.957    -90          58.5141     90           
1 1 1 26 0  10 o 0 -8.6   13.3  ?    ?   49.3089  0            9.06686    0            26.431      180          
1 1 1 26 0  11 o 0 42.6   15    ?    ?   255.91   90           193.303    90           9.19176     90           
1 1 1 26 0  12 o 0 131.6  21.8  ?    ?   390.577  0            368        0            86.707      0            
1 1 1 26 0  14 o 0 2.6    11.7  ?    ?   35.065   180          10.1777    180          14.9827     4.7664e-15   
1 1 1 26 0  15 o 0 6.5    12.9  ?    ?   136.999  -90          48.6419    -90          47.2783     90           
1 1 1 26 0  16 o 0 -16.8  12.3  ?    ?   60.3932  -1.16053e-14 8.71089    0            33.4465     180          
1 1 1 26 0  17 o 0 79.3   15.6  ?    ?   383.859  90           279.009    90           19.3537     90           
1 1 1 26 0  18 o 0 40.6   14.1  ?    ?   99.2644  0            163.251    0            96.3688     0            
1 1 1 26 0  19 o 0 -4.5   12.3  ?    ?   40.2568  90           10.8398    90           15.8602     -90          
1 1 1 26 0  20 o 0 9.4    12.6  ?    ?   20.3578  180          11.1477    180          2.2892      3.41692e-14  
1 1 1 26 0  21 o 0 16.1   17.7  ?    ?   121.15   -90          76.9295    -90          1.86503     -90          
1 1 1 26 1  0  o 0 -1.9   14.2  ?    ?   128.119  180          20.5989    180          50.4634     -2.46566e-13 
1 1 1 26 1  1  o 0 36.1   10.9  ?    ?   229.35   -124.654     140.342    -124.654     12.4847     -124.654     
1 1 1 26 1  2  o 0 23.4   12.3  ?    ?   211.657  -46.7774     75.6483    -46.7774     42.8668     133.223      
1 1 1 26 1  3  f 1 19.3   10.1  ?    ?   174.971  166.371      64.6634    166.371      33.4269     -13.6286     
1 1 1 26 1  4  o 0 39.2   13.4  ?    ?   237.57   -176.427     176.158    -176.427     9.92498     -176.427     
1 1 1 26 1  5  o 0 28.4   11.3  ?    ?   245.164  56.8048      112.855    56.8048      59.1315     -123.195     
1 1 1 26 1  6  o 0 58.4   12.3  ?    ?   206.099  -54.3263     295.176    -54.3263     150.307     -54.3263     
1 1 1 26 1  7  o 0 132    14.4  ?    ?   379.965  -60.2568     455.031    -60.2568     187.567     -60.2568     
1 1 1 26 1  8  o 0 96.1   11.8  ?    ?   480.961  -10.9399     277.558    -10.9399     68.1217     169.06       
1 1 1 26 1  9  o 0 355.4  30.9  ?    ?   687.816  -132.959     708.941    -132.959     214.402     -132.959     
1 1 1 26 1  10 o 0 93.3   11.1  ?    ?   389.365  139.396      330.495    139.396      50.5765     139.396      
1 1 1 26 1  11 o 0 29.2   8.8   ?    ?   149.337  -129.617     176.766    -129.617     69.472      -129.617     
1 1 1 26 1  12 o 0 38     9.3   ?    ?   289.553  30.2555      161.449    30.2555      46.8159     -149.744     
1 1 1 26 1  13 o 0 44.3   10.5  ?    ?   306.338  -109.935     180.887    -109.935     39.1069     70.0649      
1 1 1 26 1  14 o 0 54.1   10.2  ?    ?   413.968  162.451      158.298    162.451      138.388     -17.5487     
1 1 1 26 1  15 o 0 0.7    8.9   ?    ?   25.488   151.883      4.09517    151.883      13.7305     -28.117      
1 1 1 26 1  16 o 0 10.9   8.4   ?    ?   158.318  142.879      45.1892    142.879      65.2098     -37.1212     
1 1 1 26 1  17 o 0 75.1   10.5  ?    ?   345.097  32.9149      300.722    32.9149      67.5091     32.9149      
1 1 1 26 1  18 o 0 3.9    9.1   ?    ?   133.729  -19.4596     18.5398    -19.4596     71.4869     160.54       
1 1 1 26 1  19 o 0 27.6   9.6   ?    ?   120.408  -93.374      182.1      -93.374      102.302     -93.374      
1 1 1 26 1  20 o 0 2.5    9     ?    ?   113.162  73.2987      21.028     73.2987      53.6129     -106.701     
1 1 1 26 1  21 o 0 35.2   13.3  ?    ?   259.601  -86.4125     148.403    -86.4125     12.3562     93.5875      
1 1 1 26 1  22 o 0 -0.6   12    ?    ?   58.8731  -78.5017     49.1501    -78.5017     16.2255     -78.5017     
1 1 1 26 2  0  o 0 22.6   16.3  ?    ?   37.3874  -180         21.1524    180          0.459426    180          
1 1 1 26 2  1  o 0 1.5    12.2  ?    ?   44.1429  79.3728      4.18807    79.3728      20.3675     -100.627     
1 1 1 26 2  2  o 0 12.4   12.5  ?    ?   94.1839  138.31       36.0115    138.31       16.6112     -41.6898     
1 1 1 26 2  3  o 0 37.4   13.1  ?    ?   312.48   77.4372      101.387    77.4372      73.8596     -102.563     
1 1 1 26 2  4  o 0 105.1  13.9  ?    ?   439.808  97.3075      332.285    97.3075      25.2142     97.3075      
1 1 1 26 2  5  o 0 54.2   10.9  ?    ?   335.86   -97.0697     208.652    -97.0697     26.446      82.9303      
1 1 1 26 2  6  o 0 74.8   10.4  ?    ?   223.562  -160.122     358.257    -160.122     201.453     -160.122     
1 1 1 26 2  7  o 0 23.1   9.6   ?    ?   266.115  -82.7938     69.828     -82.7938     117.093     97.2062      
1 1 1 26 2  8  o 0 40.6   9.4   ?    ?   269.777  173.179      186.309    173.179      7.17607     -6.82148     
1 1 1 26 2  9  o 0 147.9  15.9  ?    ?   389.223  97.1778      490.043    97.1778      210.774     97.1778      
1 1 1 26 2  10 o 0 -13    9.3   ?    ?   140.778  -57.6585     48.4156    122.341      149.416     122.341      
1 1 1 26 2  11 o 0 46.7   9.7   ?    ?   278.11   -141.087     211.51     -141.087     12.0937     -141.087     
1 1 1 26 2  12 o 0 82.1   11.5  ?    ?   282.81   137.726      356.656    137.726      153.634     137.726      
1 1 1 26 2  13 o 0 147.6  15    ?    ?   544.385  29.9842      382.831    29.9842      7.38408     -150.016     
1 1 1 26 2  14 o 0 15.9   8.7   ?    ?   331.658  -108.07      17.2235    71.9295      254.493     71.9295      
1 1 1 26 2  15 o 0 11.5   8.9   ?    ?   112.58   101.91       59.4261    101.91       19.1745     -78.0898     
1 1 1 26 2  16 o 0 -14.3  8.9   ?    ?   110.299  -96.4828     32.6609    83.5172      109.449     83.5172      
1 1 1 26 2  17 o 0 44.6   10.3  ?    ?   226.095  111.159      236.551    111.159      83.9946     111.159      
1 1 1 26 2  18 o 0 55.4   10.3  ?    ?   263.79   56.0698      266.49     56.0698      89.1642     56.0698      
1 1 1 26 2  19 o 0 26.6   9.1   ?    ?   183.205  -30.8531     155.733    -30.8531     34.4815     -30.8531     
1 1 1 26 2  20 o 0 -2.5   9.1   ?    ?   49.23    83.5124      7.49823    83.5124      24.933      -96.4876     
1 1 1 26 2  21 f 1 16     12.4  ?    ?   27.2051  151.153      50.5022    151.153      33.7179     151.153      
1 1 1 26 2  22 f 1 16.9   13.5  ?    ?   102.238  17.9839      124.224    17.9839      67.2535     17.9839      
1 1 1 26 3  0  f 1 -4.3   15.8  ?    ?   334.677  -180         41.9434    180          142.283     1.09002e-13  
1 1 1 26 3  1  o 0 101.4  15.3  ?    ?   530.534  26.5522      205.669    26.5522      88.5997     -153.448     
1 1 1 26 3  2  o 0 24.7   8.7   ?    ?   39.9866  118.348      62.2402    118.348      34.5943     118.348      
1 1 1 26 3  3  o 0 0.6    8.2   ?    ?   79.5611  -26.3509     12.599     153.649      67.8134     153.649      
1 1 1 26 3  4  o 0 24.5   10.2  ?    ?   173.593  -121.664     115.697    -121.664     5.15662     58.3359      
1 1 1 26 3  5  o 0 25.6   10    ?    ?   75.4889  -93.8584     103.668    -93.8584     50.9778     -93.8584     
1 1 1 26 3  6  o 0 81     11.3  ?    ?   237.691  56.2083      372.424    56.2083      206.182     56.2083      
1 1 1 26 3  7  f 1 84.5   11.4  ?    ?   346.131  91.3737      325.585    91.3737      78.8959     91.3737      
1 1 1 26 3  8  o 0 67.2   9.4   ?    ?   403.137  64.1888      224.255    64.1888      64.0821     -115.811     
1 1 1 26 3  9  o 0 175.8  16.8  ?    ?   459.504  -30.6328     514.179    -30.6328     185.374     -30.6328     
1 1 1 26 3  10 o 0 117.6  13.4  ?    ?   419.93   -117.631     384.096    -117.631     83.6167     -117.631     
1 1 1 26 3  11 o 0 0.2    8.8   ?    ?   72.2431  -21.3735     0.860143   -21.3735     50.9206     158.626      
1 1 1 26 3  12 o 0 0.1    7.7   ?    ?   70.364   117.627      5.04345    -62.3729     55.4285     -62.3729     
1 1 1 26 3  13 o 0 86.9   11.1  ?    ?   361.392  149.007      323.373    149.007      64.962      149.007      
1 1 1 26 3  14 o 0 4.3    8.4   ?    ?   205.615  -76.6601     14.6051    103.34       158.164     103.34       
1 1 1 26 3  15 f 1 1.6    8.7   ?    ?   110.013  116.301      6.80038    116.301      69.635      -63.6986     
1 1 1 26 3  16 o 0 48.7   11.2  ?    ?   303.325  -96.95       204.183    -96.95       6.52227     83.05        
1 1 1 26 3  17 f 1 11.4   9.4   ?    ?   312.492  -97.1561     23.2612    82.8439      233.127     82.8439      
1 1 1 26 3  18 o 0 88.8   12.2  ?    ?   308.216  79.2968      366.619    79.2968      159.847     79.2968      
1 1 1 26 3  19 o 0 15.5   9.6   ?    ?   124.831  14.167       96.3739    14.167       13.9142     14.167       
1 1 1 26 3  20 o 0 -3.6   9.3   ?    ?   51.9777  33.51        14.0492    33.51        18.2074     -146.49      
1 1 1 26 3  21 o 0 10.1   12.3  ?    ?   79.9431  71.5919      74.2482    71.5919      24.8836     71.5919      
1 1 1 26 3  22 o 0 23.5   12.4  ?    ?   157.205  -121.679     143.579    -121.679     55.8917     -121.679     
1 1 1 26 4  0  f 1 111.4  20    ?    ?   305.865  1.50903e-13  329.061    0            120.867     -2.5993e-13  
1 1 1 26 4  1  o 0 13.8   8.4   ?    ?   65.7138  147.574      34.5199    147.574      10.5517     -32.4261     
1 1 1 26 4  2  o 0 -2     8.4   ?    ?   75.4264  91.5981      16.3491    -88.4018     68.3108     -88.4018     
1 1 1 26 4  3  o 0 6.2    7.6   ?    ?   73.6844  124.824      2.41913    124.824      48.5351     -55.1764     
1 1 1 26 4  4  o 0 48     10.3  ?    ?   244.887  -118.433     229.102    -118.433     59.2165     -118.433     
1 1 1 26 4  5  o 0 92.1   11.7  ?    ?   387.37   -6.99555     323.277    -6.99555     53.8424     -6.99555     
1 1 1 26 4  6  o 0 -12.4  9.4   ?    ?   135.65   -34.4533     50.3664    145.547      144.913     145.547      
1 1 1 26 4  7  f 1 27.6   10.4  ?    ?   238.704  -30.2475     117.227    -30.2475     52.3189     149.753      
1 1 1 26 4  8  o 0 38.6   9.8   ?    ?   318.679  -51.1857     143.815    -51.1857     83.3494     128.814      
1 1 1 26 4  9  o 0 76.9   9.5   ?    ?   279.059  178.562      340.531    178.562      141.505     178.562      
1 1 1 26 4  10 o 0 28.1   8.6   ?    ?   301.358  153.204      94.8496    153.204      120.088     -26.7962     
1 1 1 26 4  11 o 0 5.7    8.4   ?    ?   120.727  30.7562      14.9244    30.7562      71.3337     -149.244     
1 1 1 26 4  12 o 0 -5.8   9.3   ?    ?   182.674  90.8976      45.5075    -89.1024     175.91      -89.1024     
1 1 1 26 4  13 o 0 11.6   11.3  ?    ?   86.0761  -117.254     54.8579    -117.254     6.50507     62.7456      
1 1 1 26 4  14 o 0 17.1   8.8   ?    ?   154.069  -70.1615     91.2623    -70.1615     15.9929     109.839      
1 1 1 26 4  15 o 0 -1.2   9.2   ?    ?   169.744  -149.299     18.1692    30.7008      136.073     30.7008      
1 1 1 26 4  16 o 0 5      8.8   ?    ?   250.649  -134.324     26.7305    45.6761      195.575     45.6761      
1 1 1 26 4  17 o 0 -1.8   9     ?    ?   56.0791  -50.5561     4.9043     -50.5561     32.755      129.444      
1 1 1 26 4  18 o 0 0.3    9.3   ?    ?   135.145  124.89       11.4964    124.89       77.9139     -55.11       
1 1 1 26 4  19 f 1 -2.9   9.6   ?    ?   78.2673  -33.819      10.7746    -33.819      40.6676     146.181      
1 1 1 26 4  20 o 0 -1.4   10    ?    ?   37.3705  -179.317     16.9822    -179.317     6.15525     0.683093     
1 1 1 26 4  21 o 0 12.9   12.9  ?    ?   102.322  -137.344     90.1265    -137.344     27.0836     -137.344     
1 1 1 26 4  22 o 0 34.5   13.4  ?    ?   136.807  -1.44985     206.142    -1.44985     129.994     -1.44985     
1 1 1 26 5  0  o 0 66.5   11.8  ?    ?   196.319  -1.07244e-14 251.621    0            118.222     1.21012e-14  
1 1 1 26 5  1  o 0 -0.6   8.9   ?    ?   35.609   -2.50365     4.82652    177.496      29.1459     177.496      
1 1 1 26 5  2  o 0 16.1   8.6   ?    ?   68.2074  93.8931      46.6067    93.8931      0.182966    -86.1069     
1 1 1 26 5  3  f 1 28.3   9.1   ?    ?   153.678  0.731832     146.703    0.731832     41.1497     0.731832     
1 1 1 26 5  4  o 0 148.8  16.1  ?    ?   448.901  -74.4708     447.031    -74.4708     136.908     -74.4708     
1 1 1 26 5  5  o 0 96.5   13.3  ?    ?   395.422  -170.742     328.186    -170.742     48.767      -170.742     
1 1 1 26 5  6  o 0 1.8    8.5   ?    ?   111.917  95.3197      5.21368    -84.6803     84.4659     -84.6803     
1 1 1 26 5  7  o 0 9.9    8.1   ?    ?   90.8849  11.7876      33.2292    11.7875      31.2322     -168.212     
1 1 1 26 5  8  o 0 -0.1   8.6   ?    ?   108.418  -1.16394     10.5828    178.836      87.5635     178.836      
1 1 1 26 5  9  f 1 38.6   9.1   ?    ?   112.122  -163.595     231.954    -163.595     152.501     -163.595     
1 1 1 26 5  10 f 1 39.6   9.2   ?    ?   155.634  101.314      238.493    101.314      127.952     101.314      
1 1 1 26 5  11 o 0 7.1    8.7   ?    ?   27.2475  26.1812      11.1117    26.1812      8.28425     -153.819     
1 1 1 26 5  12 o 0 7.2    8.2   ?    ?   86.1422  -91.4627     23.5411    -91.4627     37.7289     88.5373      
1 1 1 26 5  13 o 0 84.8   10.8  ?    ?   418.389  52.5412      283.84     52.5412      6.9118      -127.459     
1 1 1 26 5  14 o 0 2.4    8.6   ?    ?   54.2738  127.96       10.3786    127.96       27.2738     -52.04       
1 1 1 26 5  15 o 0 -3.5   10.2  ?    ?   82.0999  -168.115     2.64908    -168.115     54.1861     11.8845      
1 1 1 26 5  16 o 0 -1.4   8.8   ?    ?   102.252  -74.0294     1.56784    -74.0294     67.0877     105.971      
1 1 1 26 5  17 f 1 25.8   9.6   ?    ?   183.638  -14.4184     142.666    -14.4184     20.0519     -14.4184     
1 1 1 26 5  18 o 0 24.2   9.4   ?    ?   209.553  117.204      124.199    117.204      14.0155     -62.7963     
1 1 1 26 5  19 o 0 -11.8  9.1   ?    ?   107.231  149.133      17.0953    -30.8665     87.5477     -30.8665     
1 1 1 26 5  20 o 0 6.1    9.6   ?    ?   105.65   115.546      51.2046    115.546      14.0217     -64.4536     
1 1 1 26 5  21 o 0 39     13.7  ?    ?   189.737  -146.508     214.149    -146.508     108.264     -146.508     
1 1 1 26 5  22 o 0 19.1   13.6  ?    ?   166.071  170.458      113.965    170.458      21.7695     170.458      
1 1 1 26 6  0  o 0 3.5    13.5  ?    ?   70.3937  -180         17.1958    180          30.4006     3.5411e-14   
1 1 1 26 6  1  o 0 151.6  16.5  ?    ?   424.011  -10.4728     461.886    -10.4728     173.725     -10.4728     
1 1 1 26 6  2  o 0 47.3   9.4   ?    ?   214.379  -56.4271     244.36     -56.4271     95.0673     -56.4271     
1 1 1 26 6  3  o 0 10.4   9.1   ?    ?   173.358  -36.2051     28.0781    -36.2051     93.1168     143.795      
1 1 1 26 6  4  o 0 20.5   10    ?    ?   183.673  89.9271      93.5994    89.927       35.23       -90.073      
1 1 1 26 6  5  f 1 97.9   13.7  ?    ?   385.124  -169.335     337.532    -169.335     67.3624     -169.335     
1 1 1 26 6  6  o 0 37.9   8.9   ?    ?   230.281  169.832      191.626    169.832      29.3095     169.832      
1 1 1 26 6  7  o 0 -11.4  8.2   ?    ?   119.609  -158.333     43.759     21.6669      128.207     21.6669      
1 1 1 26 6  8  o 0 60.3   10.1  ?    ?   172.445  138.395      324.483    138.395      202.59      138.395      
1 1 1 26 6  9  o 0 19.3   8.1   ?    ?   162.398  59.4899      101.22     59.4899      13.9012     -120.51      
1 1 1 26 6  10 o 0 16.3   8.2   ?    ?   139.389  -7.72879     82.8927    -7.72879     15.9372     172.271      
1 1 1 26 6  11 o 0 18.6   9     ?    ?   84.1385  85.8266      93.4414    85.8266      33.8011     85.8266      
1 1 1 26 6  12 o 0 57.4   10.2  ?    ?   359.488  -92.4712     206.326    -92.4712     48.3085     87.5288      
1 1 1 26 6  13 o 0 -4.9   8.2   ?    ?   135.922  -61.1549     26.501     118.845      120.576     118.845      
1 1 1 26 6  14 o 0 51.4   9.3   ?    ?   239.386  64.0814      260.413    64.0814      94.9938     64.0814      
1 1 1 26 6  15 o 0 6.8    8.5   ?    ?   92.9918  80.3207      33.876     80.3207      28.4819     -99.6793     
1 1 1 26 6  16 o 0 9.8    8.7   ?    ?   116.817  77.3304      51.5438    77.3304      26.5976     -102.67      
1 1 1 26 6  17 o 0 21     10.4  ?    ?   120.717  -66.0157     132.666    -66.0157     53.061      -66.0157     
1 1 1 26 6  18 f 1 15.5   10.7  ?    ?   237.413  -85.3517     48.2637    -85.3517     107.371     94.6483      
1 1 1 26 6  19 o 0 13.7   8.9   ?    ?   185.153  -177.844     72.4687    -177.844     41.9421     2.15641      
1 1 1 26 6  20 o 0 20.1   8.9   ?    ?   162.423  -169.087     122.826    -169.087     22.8813     -169.087     
1 1 1 26 6  21 o 0 10.3   11.7  ?    ?   102.828  -124.51      91.8194    -124.51      34.6187     -124.51      
1 1 1 26 7  0  o 0 220    23.3  ?    ?   513.554  180          461.501    180          109.248     -180         
1 1 1 26 7  1  o 0 1.2    8.1   ?    ?   105.962  57.1663      8.50078    -122.834     81.5578     -122.834     
1 1 1 26 7  2  o 0 6.1    8     ?    ?   153.272  -54.7278     2.74879    -54.7278     103.407     125.272      
1 1 1 26 7  3  o 0 10.3   8.2   ?    ?   77.0088  -142.911     32.8151    -142.911     20.7316     37.0893      
1 1 1 26 7  4  o 0 2.4    8.3   ?    ?   103.9    32.1961      2.44404    -147.804     74.9327     -147.804     
1 1 1 26 7  5  o 0 -6.1   8.7   ?    ?   99.9728  16.0733      23.4023    -163.927     93.3466     -163.927     
1 1 1 26 7  6  f 1 2.2    9.7   ?    ?   73.5451  -86.696      6.52863    -86.6961     44.9101     93.3039      
1 1 1 26 7  7  o 0 6.1    9.8   ?    ?   99.4906  -144.207     20.2224    -144.207     49.6645     35.7927      
1 1 1 26 7  8  o 0 13.7   8.4   ?    ?   123.699  146.95       64.9476    146.95       22.2443     -33.05       
1 1 1 26 7  9  f 1 17.6   7.9   ?    ?   24.8707  171.817      35.0828    171.817      17.584      171.817      
1 1 1 26 7  10 o 0 9.8    7.9   ?    ?   190.46   -102.003     17.0908    -102.003     117.299     77.997       
1 1 1 26 7  11 o 0 7.7    8.9   ?    ?   61.1493  176.187      23.6553    176.187      19.4848     -3.81295     
1 1 1 26 7  12 o 0 13.5   9.1   ?    ?   24.2603  -37.277      26.719     -37.277      9.98614     -37.277      
1 1 1 26 7  13 o 0 2.2    9     ?    ?   141.046  -145.491     4.06324    -145.491     93.1162     34.5085      
1 1 1 26 7  14 o 0 1.3    8.6   ?    ?   144.028  17.5332      1.28845    17.5332      95.0617     -162.467     
1 1 1 26 7  15 o 0 33.8   9.7   ?    ?   212.234  -40.9962     185.234    -40.9962     43.5309     -40.9962     
1 1 1 26 7  16 o 0 -0.1   8.7   ?    ?   83.0294  -97.4373     6.96525    -97.4373     48.3406     82.5627      
1 1 1 26 7  17 o 0 12.8   9.8   ?    ?   81.2042  7.7029       76.6017    7.7029       23.2731     7.7029       
1 1 1 26 7  18 o 0 2.8    8.4   ?    ?   214.769  156.735      17.7691    -23.2651     158.358     -23.2651     
1 1 1 26 7  19 f 1 -1.2   9.7   ?    ?   126.654  39.8627      19.209     39.8627      58.5491     -140.137     
1 1 1 26 7  20 o 0 -10.9  12.3  ?    ?   133.367  59.3712      26.3259    59.3712      47.9267     -120.629     
1 1 1 26 7  21 o 0 -0.2   11.3  ?    ?   74.1634  60.8898      50.2128    60.8898      9.1089      60.8898      
1 1 1 26 8  0  o 0 146.5  19.2  ?    ?   311.389  -8.31532e-14 373.283    0            161.017     1.0962e-13   
1 1 1 26 8  1  o 0 61.4   9.8   ?    ?   335.003  -177.277     233.45     -177.277     3.88939     -177.277     
1 1 1 26 8  2  o 0 37.7   8.7   ?    ?   223.657  117.336      189.707    117.336      35.7368     117.336      
1 1 1 26 8  3  f 1 3.9    7.3   ?    ?   98.0917  128.143      1.12913    -51.8571     68.755      -51.8571     
1 1 1 26 8  4  o 0 112.2  14.1  ?    ?   401.269  -166.336     366.391    -166.336     88.0804     -166.336     
1 1 1 26 8  5  o 0 61.3   11.3  ?    ?   239.406  8.44039      289.014    8.44039      122.487     8.44039      
1 1 1 26 8  6  o 0 16.9   8.6   ?    ?   319.707  -26.5359     0.94083    153.464      224.34      153.464      
1 1 1 26 8  7  f 1 30.8   9.5   ?    ?   191.644  -46.4593     168.892    -46.4593     35.0769     -46.4593     
1 1 1 26 8  8  o 0 43.1   9.4   ?    ?   302.74   37.409       175.421    37.409       36.7966     -142.591     
1 1 1 26 8  9  o 0 47     11.1  ?    ?   451.193  142.4        95.0482    142.4        221.505     -37.6        
1 1 1 26 8  10 o 0 6.4    8.8   ?    ?   71.0079  -167.545     27.199     -167.545     21.5558     12.4552      
1 1 1 26 8  11 o 0 7.3    8.3   ?    ?   120.88   -109.612     29.967     -109.612     53.0247     70.3885      
1 1 1 26 8  12 f 1 -8.1   7.7   ?    ?   189.209  48.8657      61.2622    -131.134     190.765     -131.134     
1 1 1 26 8  13 o 0 48.2   9.3   ?    ?   313.364  155.557      205.642    155.557      3.25495     -24.4435     
1 1 1 26 8  14 o 0 100    11.7  ?    ?   459.997  -154.769     309.915    -154.769     3.69446     -154.769     
1 1 1 26 8  15 o 0 1.6    8     ?    ?   81.2581  2.22815      8.71613    2.22815      45.2787     -177.772     
1 1 1 26 8  16 o 0 15.5   9.2   ?    ?   171.02   -156.568     81.3795    -156.568     30.7215     23.4319      
1 1 1 26 8  17 o 0 27.6   8.2   ?    ?   257.008  66.5186      129.305    66.5186      38.7074     -113.481     
1 1 1 26 8  18 f 1 6.8    8.2   ?    ?   147.125  44.233       41.7836    44.233       48.4699     -135.767     
1 1 1 26 8  19 o 0 4.5    9.1   ?    ?   145.939  -110.052     32.5359    -110.052     56.9027     69.9477      
1 1 1 26 8  20 o 0 -2.1   10.1  ?    ?   72.9724  19.4491      38.1492    19.4491      2.30673     -160.551     
1 1 1 26 9  0  o 0 49.4   11.9  ?    ?   346.742  -5.02938e-14 210.35     0            24.9327     180          
1 1 1 26 9  1  o 0 -5.9   7.3   ?    ?   65.9721  -49.3371     17.5261    130.663      62.5302     130.663      
1 1 1 26 9  2  o 0 7      9.5   ?    ?   149.742  -116.468     20.6879    -116.468     81.9429     63.5315      
1 1 1 26 9  3  o 0 1.9    8.4   ?    ?   231.57   31.9053      44.8751    -148.095     204.244     -148.095     
1 1 1 26 9  4  o 0 109.3  13    ?    ?   495.045  138.344      295.706    138.344      46.1967     -41.6555     
1 1 1 26 9  5  o 0 6.7    9.4   ?    ?   153.378  -85.8478     17.3115    -85.8478     88.9366     94.1522      
1 1 1 26 9  6  o 0 32.6   9.4   ?    ?   163.881  -159.653     189.539    -159.653     75.7355     -159.653     
1 1 1 26 9  7  o 0 44.5   9.7   ?    ?   201.313  -124.743     237.243    -124.743     97.1739     -124.743     
1 1 1 26 9  8  o 0 71.4   11.3  ?    ?   288.643  -60.1206     302.339    -60.1206     101.216     -60.1206     
1 1 1 26 9  9  o 0 46.7   9.8   ?    ?   191.636  115.465      258.248    115.465      127.495     115.465      
1 1 1 26 9  10 o 0 -1.6   7.5   ?    ?   115.928  109.528      14.9403    -70.4724     94.0775     -70.4724     
1 1 1 26 9  11 o 0 9.5    9.2   ?    ?   45.5155  -46.2311     30.6898    -46.2311     0.382375    133.769      
1 1 1 26 9  12 o 0 44.4   9.7   ?    ?   233.126  -112.081     230.464    -112.081     75.771      -112.081     
1 1 1 26 9  13 f 1 39.6   8.6   ?    ?   98.379   162.285      253.263    162.285      188.206     162.285      
1 1 1 26 9  14 o 0 43.8   8.9   ?    ?   270.086  101.202      208.381    101.202      29.5444     101.202      
1 1 1 26 9  15 o 0 7.8    8.4   ?    ?   136.108  128.798      41.9364    128.798      47.014      -51.2021     
1 1 1 26 9  16 o 0 6.3    7.9   ?    ?   165.436  40.7803      20.471     40.7803      87.4151     -139.22      
1 1 1 26 9  17 o 0 64.3   9.8   ?    ?   380.515  65.0205      248.917    65.0205      15.3344     65.0205      
1 1 1 26 9  18 f 1 16.9   10    ?    ?   204.102  -132.018     78.9297    -132.018     45.6637     47.9823      
1 1 1 26 9  19 o 0 3      10.2  ?    ?   72.0628  -166.715     55.0052    -166.715     15.0858     -166.715     
1 1 1 26 9  20 o 0 8.9    10    ?    ?   181.325  -145.863     58.1928    -145.863     41.8646     34.1366      
1 1 1 26 10 0  o 0 64.3   12.1  ?    ?   328.911  -180         241.625    180          20.0787     180          
1 1 1 26 10 1  o 0 20.2   9.5   ?    ?   142.346  84.8809      104.247    84.8809      7.84593     84.8809      
1 1 1 26 10 2  o 0 5.8    8.9   ?    ?   79.9269  -105.839     18.8772    -105.839     35.5124     74.1613      
1 1 1 26 10 3  o 0 13.6   9.1   ?    ?   75.4195  -158.19      55.7245    -158.19      4.18523     -158.19      
1 1 1 26 10 4  o 0 222    23.7  ?    ?   651.509  25.7637      453.583    25.7637      6.7348      25.7637      
1 1 1 26 10 5  o 0 34.3   9.1   ?    ?   241.961  -12.9103     161.501    -12.9103     4.96773     167.09       
1 1 1 26 10 6  o 0 28.2   8.9   ?    ?   283.905  -174.403     96.6405    -174.403     99.1884     5.59748      
1 1 1 26 10 7  o 0 26.4   11.1  ?    ?   148.51   118.039      147.749    118.039      47.3308     118.039      
1 1 1 26 10 8  o 0 15.3   8.9   ?    ?   212.471  177.582      52.5499    177.582      91.3415     -2.41834     
1 1 1 26 10 9  o 0 25.1   8.7   ?    ?   188.252  -9.85292     134.857    -9.85292     7.2287      -9.85292     
1 1 1 26 10 10 o 0 12.8   7.9   ?    ?   181.526  -14.5833     47.6051    -14.5833     75.5386     165.417      
1 1 1 26 10 11 o 0 9.7    7.6   ?    ?   72.1757  70.9516      42.6695    70.9516      4.9494      -109.048     
1 1 1 26 10 12 o 0 10.5   9.4   ?    ?   114.569  30.973       57.0391    30.973       18.5275     -149.027     
1 1 1 26 10 13 o 0 37.3   10    ?    ?   132.331  -52.3988     232.5      -52.3988     145.282     -52.3988     
1 1 1 26 10 14 o 0 16.2   9.8   ?    ?   258.808  -20.467      40.9625    -20.467      127.488     159.533      
1 1 1 26 10 15 o 0 -0.6   8.1   ?    ?   81.8221  88.9544      7.80497    88.9544      45.3654     -91.0456     
1 1 1 26 10 16 o 0 10.7   8.4   ?    ?   124.194  -30.2294     72.6139    -30.2294     3.39597     149.771      
1 1 1 26 10 17 o 0 72.5   10.8  ?    ?   296.834  135.877      321.518    135.877      140.294     135.877      
1 1 1 26 10 18 o 0 30.5   9.9   ?    ?   202.243  95.6407      181.976    95.6407      70.1555     95.6407      
1 1 1 26 10 19 o 0 15.8   10.1  ?    ?   152.078  16.3326      106.356    16.3326      22.5508     16.3326      
1 1 1 26 11 0  o 0 4.4    11.9  ?    ?   113.844  -5.22653e-14 31.7666    0            44.3109     180          
1 1 1 26 11 1  f 1 31.2   7.9   ?    ?   252.943  13.2619      137.08     13.2619      32.4498     -166.738     
1 1 1 26 11 2  o 0 15.8   8.5   ?    ?   129.858  44.057       84.3374    44.057       1.44573     -135.943     
1 1 1 26 11 3  o 0 21.6   8.3   ?    ?   151.985  35.6143      122.31     35.6143      21.474      35.6143      
1 1 1 26 11 4  o 0 108.4  13.2  ?    ?   364.43   -143.709     376.377    -143.709     133.679     -143.709     
1 1 1 26 11 5  o 0 1.7    8.8   ?    ?   89.077   87.2745      9.31466    87.2745      50.1994     -92.7255     
1 1 1 26 11 6  o 0 112.3  13.6  ?    ?   451.846  15.1543      336.126    15.1543      33.4232     15.1543      
1 1 1 26 11 7  f 1 49.5   10    ?    ?   239      101.698      243.342    101.698      83.2926     101.698      
1 1 1 26 11 8  o 0 6.3    9     ?    ?   169.824  -33.8886     13.5759    -33.8886     100.635     146.111      
1 1 1 26 11 9  f 1 193    19.3  ?    ?   407.156  -95.3233     570.956    -95.3233     305.054     -95.3233     
1 1 1 26 11 10 o 0 24     8     ?    ?   129.46   41.8469      152.221    41.8469      67.3942     41.8469      
1 1 1 26 11 11 f 1 17     8.1   ?    ?   78.8827  18.0513      92.8595    18.0513      41.2908     18.0513      
1 1 1 26 11 12 o 0 55.9   9.2   ?    ?   324.927  62.9314      234.073    62.9314      23.5543     62.9314      
1 1 1 26 11 13 o 0 47.4   9.9   ?    ?   396.014  -99.5285     149.919    -99.5285     106.501     80.4715      
1 1 1 26 11 14 o 0 68.2   11    ?    ?   379.705  -113.44      243.794    -113.44      1.80853     66.5603      
1 1 1 26 11 15 o 0 1      9.7   ?    ?   86.1934  -19.3427     32.1806    -19.3427     20.357      160.657      
1 1 1 26 11 16 o 0 11.7   9.2   ?    ?   85.6486  174.811      77.1296    174.811      25.0237     174.811      
1 1 1 26 11 17 o 0 27.7   8.1   ?    ?   285.602  -47.0036     135.235    -47.0036     22.2028     132.996      
1 1 1 26 11 18 o 0 8.5    9.7   ?    ?   196.843  -35.49       48.4621    -35.49       59.7473     144.51       
1 1 1 26 12 1  o 0 47     8.1   ?    ?   300.366  -50.6986     195.227    -50.6986     0.576899    129.301      
1 1 1 26 12 2  f 1 -2.5   8.5   ?    ?   155.713  95.8842      21.6128    -84.1158     123.37      -84.1158     
1 1 1 26 12 3  o 0 36.4   9.5   ?    ?   199.209  123.334      195.368    123.334      64.2665     123.334      
1 1 1 26 12 4  o 0 19.7   9.4   ?    ?   255.303  -146.673     57.933     -146.673     110.741     33.3268      
1 1 1 26 12 5  o 0 28.2   9.4   ?    ?   283.322  61.9224      98.1979    61.9224      89.6166     -118.078     
1 1 1 26 12 6  o 0 7.7    8.7   ?    ?   84.0648  -55.5703     37.4061    -55.5703     16.9361     124.43       
1 1 1 26 12 7  o 0 17.4   11    ?    ?   168.411  75.3292      85.36      75.3292      23.7589     -104.671     
1 1 1 26 12 8  o 0 58.3   11.9  ?    ?   286.675  -147.527     252.348    -147.527     66.2625     -147.527     
1 1 1 26 12 9  o 0 172.6  20.3  ?    ?   556.783  -72.2512     420.652    -72.2512     58.7505     -72.2512     
1 1 1 26 12 10 o 0 13.3   8.8   ?    ?   175.175  177.442      57.3514    177.442      56.609      -2.55774     
1 1 1 26 12 11 o 0 6.8    8     ?    ?   74.8819  -140.281     36.8877    -140.281     11.2953     39.7191      
1 1 1 26 12 12 o 0 -5     8.4   ?    ?   66.57    171.882      0.123467   -8.11814     42.9565     -8.11814     
1 1 1 26 12 13 f 1 76.1   11.1  ?    ?   362.087  122.082      298.715    122.082      79.5165     122.082      
1 1 1 26 12 14 o 0 -8.6   9     ?    ?   2.50692  47.9092      0.257632   47.9092      1.26251     -132.091     
1 1 1 26 12 15 o 0 4.2    9.1   ?    ?   123.102  -97.3796     36.6413    -97.3796     37.9041     82.6204      
1 1 1 26 12 16 o 0 3.8    10.4  ?    ?   36.7706  -64.5208     39.0809    -64.5208     18.8937     -64.5208     
1 1 1 26 12 17 o 0 9.7    10.5  ?    ?   152.256  -77.7213     73.8786    -77.7213     9.52553     102.279      
1 1 1 26 13 0  o 0 8.1    11    ?    ?   10.0532  180          4.17472    180          2.10511     -8.93175e-13 
1 1 1 26 13 1  f 1 89.8   10.2  ?    ?   230.809  -168.737     394.131    -168.737     249.491     -168.737     
1 1 1 26 13 2  f 1 12.1   8.3   ?    ?   146.308  -152.827     56.9788    -152.827     35.1834     27.1729      
1 1 1 26 13 3  o 0 79.7   10.3  ?    ?   332.499  -158.976     306.705    -158.976     95.7491     -158.976     
1 1 1 26 13 4  o 0 178.6  17.8  ?    ?   478.774  -27.9025     482.174    -27.9025     177.184     -27.9025     
1 1 1 26 13 5  o 0 89.6   12.4  ?    ?   265.476  66.5534      376.351    66.5534      206.644     66.5534      
1 1 1 26 13 6  o 0 16.1   10.6  ?    ?   150.748  -131.919     83.2609    -131.919     13.3919     48.081       
1 1 1 26 13 7  o 0 31.7   11.6  ?    ?   156.584  -77.6868     174.829    -77.6868     74.1863     -77.6868     
1 1 1 26 13 8  o 0 25.9   10.2  ?    ?   225.067  -104.298     119.924    -104.298     23.3776     75.7018      
1 1 1 26 13 9  o 0 22.8   9.7   ?    ?   193.86   34.9161      116.958    34.9161      6.65725     -145.084     
1 1 1 26 13 10 o 0 2.7    7.8   ?    ?   149.273  94.8633      6.741      94.8633      88.5395     -85.1367     
1 1 1 26 13 11 o 0 9      9.2   ?    ?   119.811  -7.55031     51.1029    -7.55031     25.414      172.45       
1 1 1 26 13 12 o 0 80.9   12.1  ?    ?   385.337  92.7501      296.643    92.7501      64.3721     92.7501      
1 1 1 26 13 13 o 0 9.9    9.8   ?    ?   164.351  -71.1142     54.5363    -71.1142     44.495      108.886      
1 1 1 26 13 14 o 0 -8.3   15.2  ?    ?   78.2885  -94.6827     51.8002    -94.6827     8.98931     -94.6827     
1 1 1 26 13 15 o 0 -7.2   12    ?    ?   128.034  88.3458      31.5819    88.3458      38.3457     -91.6542     
1 1 1 26 13 16 < 0 7.5    9.2   ?    ?   ?        ?            ?          ?            ?           ?            
1 1 1 26 14 0  o 0 90.1   14.6  ?    ?   316.317  -1.47151e-14 275.575    0            79.8666     3.60583e-14  
1 1 1 26 14 1  o 0 94.6   11.2  ?    ?   367.503  170.695      328.025    170.695      99.2969     170.695      
1 1 1 26 14 2  f 1 15.9   7.7   ?    ?   89.0251  165.089      85.3054    165.089      29.7449     165.089      
1 1 1 26 14 3  o 0 4.5    9     ?    ?   123.779  -97.7096     20.9984    -97.7096     56.82       82.2904      
1 1 1 26 14 4  o 0 37.3   8.8   ?    ?   339.215  29.486       132.003    29.486       79.7282     -150.514     
1 1 1 26 14 5  o 0 9      9.5   ?    ?   143.932  123.44       48.4292    123.44       41.7386     -56.5601     
1 1 1 26 14 6  o 0 9.4    11    ?    ?   40.0005  142.067      38.1039    142.067      12.9668     142.067      
1 1 1 26 14 7  o 0 26.3   13.9  ?    ?   246.205  104.69       96.6178    104.69       58.5061     -75.31       
1 1 1 26 14 8  o 0 38.1   11.5  ?    ?   206.54   130.119      191.813    130.119      61.4052     130.119      
1 1 1 26 14 9  o 0 12.9   10.8  ?    ?   71.6143  24.3917      82.2996    24.3917      39.5573     24.3917      
1 1 1 26 14 10 o 0 59.3   11.1  ?    ?   342.294  -50.1314     238.021    -50.1314     33.4911     -50.1314     
1 1 1 26 14 11 o 0 13.7   10.6  ?    ?   77.7038  59.9484      85.3659    59.9484      38.9035     59.9484      
1 1 1 26 14 12 o 0 -10.2  12.1  ?    ?   94.5888  -118.093     15.3992    -118.093     41.1727     61.9073      
1 1 1 26 14 13 o 0 18     12.6  ?    ?   247.805  -114.938     71.2536    -114.938     63.3253     65.0619      
1 1 1 26 14 14 o 0 3.5    9.7   ?    ?   125.1    65.8953      51.6185    65.8953      16.2766     -114.105     
1 1 1 26 15 0  o 0 73.3   14.5  ?    ?   376.783  -6.69442e-14 243.054    0            14.8931     1.02558e-12  
1 1 1 26 15 1  o 0 64.3   10.9  ?    ?   318.515  -55.085      252.13     -55.085      58.0785     -55.085      
1 1 1 26 15 2  o 0 15.2   8     ?    ?   122.503  21.4826      89.2114    21.4826      14.1675     21.4826      
1 1 1 26 15 3  o 0 16.9   8.2   ?    ?   122.53   24.7001      100.722    24.7001      25.292      24.7001      
1 1 1 26 15 4  o 0 66.5   10.7  ?    ?   327.348  -161.696     258.254    -161.696     55.8592     -161.696     
1 1 1 26 15 5  o 0 23.5   10.9  ?    ?   44.6494  -116.56      96.9207    -116.56      69.2093     -116.56      
1 1 1 26 15 6  o 0 43.3   11.7  ?    ?   227.906  45.6699      220.14     45.6699      86.211      45.6699      
1 1 1 26 15 7  o 0 19.5   11.6  ?    ?   135.788  72.3863      117.864    72.3863      37.8471     72.3863      
1 1 1 26 15 8  f 1 -1.4   12.2  ?    ?   76.42    -139.84      34.3134    -139.84      10.7052     40.1597      
1 1 1 26 15 10 o 0 5.2    11.6  ?    ?   50.0339  85.8259      57.4349    85.8259      30.513      85.8259      
1 1 1 26 15 11 o 0 14     9.6   ?    ?   109.955  -73.4373     105.22     -73.4373     46.0066     -73.4373     
1 1 1 26 15 12 o 0 20.8   9.4   ?    ?   225.524  -13.9341     105.98     -13.9341     15.5162     166.066      
1 1 1 26 16 1  o 0 30.3   8.9   ?    ?   275.037  -18.5591     133.418    -18.5591     23.0663     161.441      
1 1 1 26 16 2  o 0 -4.8   13.1  ?    ?   101.266  -44.7513     31.4761    -44.7513     26.4664     135.249      
1 1 1 26 16 3  o 0 25.2   9.7   ?    ?   245.646  -43.4264     107.739    -43.4264     33.53       136.574      
1 1 1 26 16 4  o 0 28.2   9.6   ?    ?   163.287  -68.2651     163.947    -68.2651     69.6172     -68.2651     
1 1 1 26 16 5  o 0 -2.9   11.6  ?    ?   74.7687  106.55       27.0916    106.55       16.2739     -73.4499     
1 1 1 26 16 6  o 0 26     11.3  ?    ?   151.69   -163.889     146.336    -163.889     58.0534     -163.889     
1 1 1 26 16 9  o 0 63.6   10.9  ?    ?   347.49   -160.091     264.505    -160.091     79.4794     -160.091     
1 1 1 26 16 10 f 1 35     9.4   ?    ?   177.274  155.443      220.81     155.443      126.523     155.443      
1 1 1 26 17 0  o 0 -5.4   9.4   ?    ?   235.243  180          36.3356    180          83.1243     -1.01627e-13 
1 1 1 26 17 1  o 0 12.7   9     ?    ?   225.35   40.8642      54.0672    40.8642      61.1048     -139.136     
1 1 1 26 17 2  o 0 -2     8.6   ?    ?   120.2    -124         25.2174    -124         36.5731     56.0002      
1 1 1 26 17 3  o 0 -13.7  8.6   ?    ?   90.1463  -39.3446     3.08275    -39.3446     43.502      140.655      
1 1 1 26 17 4  o 0 3.9    8.8   ?    ?   122.593  178.377      47.1815    178.377      16.4684     -1.6231      
1 1 1 26 17 5  o 0 32.2   14.5  ?    ?   157.663  -178.071     167.044    -178.071     84.8459     -178.071     
1 1 1 26 17 6  o 0 4.7    15.6  ?    ?   76.0197  2.13183      76.0166    2.13183      36.2398     2.13183      
1 1 1 26 17 7  f 1 21.3   13    ?    ?   142.649  140.377      127.797    140.377      53.1178     140.377      
1 1 1 27 0  1  o 0 74.9   18.6  ?    ?   142.213  -90          255.998    -90          157.687     -90          
1 1 1 27 0  2  o 0 81.4   18.4  ?    ?   339.584  -4.15768e-15 276.379    0            40.4244     2.4268e-14   
1 1 1 27 0  3  o 0 26.8   11.5  ?    ?   199.147  -90          135.432    -90          3.56194     90           
1 1 1 27 0  4  o 0 9.7    12    ?    ?   117.541  5.96469e-15  43.5005    0            38.8528     -180         
1 1 1 27 0  5  o 0 99.3   18.3  ?    ?   350.11   90           312.549    90           66.4551     90           
1 1 1 27 0  6  o 0 55.1   14    ?    ?   392.919  180          228.933    180          48.5941     3.30566e-14  
1 1 1 27 0  7  o 0 34.3   11.4  ?    ?   430.508  -90          174.38     -90          130.331     90           
1 1 1 27 0  8  f 1 213.2  26    ?    ?   499.12   0            464.608    0            111.701     0            
1 1 1 27 0  9  o 0 32.9   12.4  ?    ?   245.984  -90          164.117    -90          10.431      90           
1 1 1 27 0  10 o 0 179.3  22.8  ?    ?   647.691  -2.1628e-15  426.426    0            23.3933     180          
1 1 1 27 0  12 o 0 1      12.4  ?    ?   27.5375  180          8.36754    180          10.7465     -8.55414e-14 
1 1 1 27 0  13 o 0 1.5    11.8  ?    ?   60.7545  -90          18.591     -90          22.3735     90           
1 1 1 27 0  14 o 0 18.8   12.8  ?    ?   82.711   0            64.6016    0            8.91609     0            
1 1 1 27 0  15 o 0 75     14.4  ?    ?   290.871  90           270.629    90           75.1848     90           
1 1 1 27 0  16 o 0 11.5   12.9  ?    ?   128.288  0            63.7426    0            21.2737     180          
1 1 1 27 0  17 o 0 33.1   14.3  ?    ?   83.5248  -90          123.219    -90          68.0281     -90          
1 1 1 27 0  18 o 0 10.8   14.3  ?    ?   69.4012  -1.0509e-14  43.6744    0            0.542027    8.36262e-13  
1 1 1 27 1  0  o 0 11.3   12.1  ?    ?   107.953  -90          43.8259    -90          30.2948     90           
1 1 1 27 1  1  o 0 46.8   10.5  ?    ?   166.906  -132.811     257.648    -132.811     142.391     -132.811     
1 1 1 27 1  2  o 0 5.8    8.7   ?    ?   183.939  -82.0771     5.22088    97.9229      132.888     97.9229      
1 1 1 27 1  3  o 0 -5.8   9.4   ?    ?   50.7083  -133.518     7.89822    46.4823      43.2504     46.4823      
1 1 1 27 1  4  o 0 -14    9     ?    ?   64.5742  74.5302      21.6148    -105.47      66.8067     -105.47      
1 1 1 27 1  5  o 0 49.9   8.4   ?    ?   188.148  -17.5161     271.969    -17.5161     139.868     -17.5161     
1 1 1 27 1  6  o 0 14.1   8.3   ?    ?   256.25   103.836      16.2961    103.836      164.495     -76.1637     
1 1 1 27 1  7  o 0 261    23.4  ?    ?   604.995  -114.701     584.928    -114.701     157.193     -114.701     
1 1 1 27 1  8  f 1 42.7   9.3   ?    ?   216.019  166.386      226.061    166.386      73.4899     166.386      
1 1 1 27 1  9  o 0 34.4   8.5   ?    ?   181.912  -114.635     199.117    -114.635     70.1724     -114.635     
1 1 1 27 1  10 o 0 197.1  18.8  ?    ?   599.39   172.482      467.423    172.482      51.5812     172.482      
1 1 1 27 1  11 o 0 195.4  17.5  ?    ?   448.741  -47.5107     566.283    -47.5107     254.955     -47.5107     
1 1 1 27 1  12 o 0 -1     8.9   ?    ?   92.356   24.602       1.17959    24.602       62.8643     -155.398     
1 1 1 27 1  13 o 0 18.6   8.7   ?    ?   199.617  -106.406     88.6685    -106.406     45.8054     73.5937      
1 1 1 27 1  14 o 0 28.1   9.5   ?    ?   188.068  115.439      157.798    115.439      31.2868     115.439      
1 1 1 27 1  15 o 0 146.8  14.6  ?    ?   479.454  54.1162      432.994    54.1162      111.084     54.1162      
1 1 1 27 1  16 o 0 37.7   9.7   ?    ?   367.386  -62.3253     121.325    -62.3253     121.973     117.675      
1 1 1 27 1  17 f 1 38.4   9.9   ?    ?   259.441  -124.812     186.551    -124.812     15.6649     -124.812     
1 1 1 27 1  18 f 1 -1.8   9.3   ?    ?   46.0926  -149.139     16.0164    -149.139     12.5411     30.8609      
1 1 1 27 1  19 o 0 62.3   13.7  ?    ?   422.723  -130.904     196.534    -130.904     65.0643     49.0961      
1 1 1 27 1  20 o 0 8.5    12.8  ?    ?   97.5618  -176.328     87.0375    -176.328     32.4333     -176.328     
1 1 1 27 2  0  o 0 4.5    11.9  ?    ?   60.9538  -90          17.4747    -90          24.2998     90           
1 1 1 27 2  1  o 0 18.8   9     ?    ?   123.706  42.266       94.2526    42.266       8.98456     42.266       
1 1 1 27 2  2  o 0 105.1  12.2  ?    ?   469.034  134.194      303.357    134.194      21.5845     -45.8058     
1 1 1 27 2  3  o 0 22.3   9     ?    ?   170.475  105.956      112.335    105.956      6.29457     -74.0439     
1 1 1 27 2  4  o 0 5.4    8.6   ?    ?   60.6168  -135.773     10.9444    -135.773     31.3992     44.2268      
1 1 1 27 2  5  o 0 33.9   8.3   ?    ?   221.988  -41.9417     176.105    -41.9417     20.1906     -41.9417     
1 1 1 27 2  6  o 0 17.4   8.7   ?    ?   187.451  -80.723      74.8632    -80.723      57.1466     99.277       
1 1 1 27 2  7  o 0 226.1  18.8  ?    ?   608.691  130.013      516.914    130.013      87.3436     130.013      
1 1 1 27 2  8  o 0 68.6   10.1  ?    ?   358.499  144.509      254.538    144.509      1.1345      144.509      
1 1 1 27 2  9  o 0 38.3   9     ?    ?   244.149  90.7285      187.508    90.7285      14.7488     90.7285      
1 1 1 27 2  10 o 0 43.3   8.9   ?    ?   170.421  -172.027     257.447    -172.027     139.414     -172.027     
1 1 1 27 2  11 o 0 100.5  11.5  ?    ?   386.501  12.8577      356.401    12.8577      88.6962     12.8577      
1 1 1 27 2  12 f 1 10.8   9     ?    ?   115.361  -147.41      54.2829    -147.41      25.381      32.5895      
1 1 1 27 2  13 o 0 23.2   9.2   ?    ?   203.217  -3.84892     117.987    -3.84892     18.7028     176.151      
1 1 1 27 2  14 o 0 5.8    9     ?    ?   167.577  -92.4191     17.5698    -92.4191     94.9931     87.5809      
1 1 1 27 2  15 o 0 32.7   9.5   ?    ?   175.797  148.769      196.694    148.769      78.8253     148.769      
1 1 1 27 2  16 o 0 26.3   9.3   ?    ?   208.511  90.5766      140.065    90.5766      2.16133     90.5766      
1 1 1 27 2  17 o 0 6.2    9.5   ?    ?   39.5741  -47.9322     25.6286    -47.9322     0.47299     132.068      
1 1 1 27 2  18 o 0 13     9.2   ?    ?   149.23   106.355      80.287     106.355      12.3053     -73.6452     
1 1 1 27 2  19 o 0 19.3   13.5  ?    ?   103.383  -70.5179     119.241    -70.5179     55.329      -70.5179     
1 1 1 27 2  20 o 0 7.2    11.8  ?    ?   132.685  139.227      73.2971    139.227      0.896113    -40.7728     
1 1 1 27 3  0  o 0 16.1   11    ?    ?   58.9595  90           35.1754    90           5.12825     -90          
1 1 1 27 3  1  o 0 29.1   8.8   ?    ?   180.65   -23.0987     159.072    -23.0987     34.8741     -23.0987     
1 1 1 27 3  2  o 0 24     8.5   ?    ?   226.058  -176.569     101.573    -176.569     54.6337     3.43145      
1 1 1 27 3  3  o 0 30.9   8.1   ?    ?   157.586  -127.697     180.546    -127.697     71.1681     -127.697     
1 1 1 27 3  4  o 0 11.2   8.9   ?    ?   123.309  60.4213      48.603     60.4212      37.5032     -119.579     
1 1 1 27 3  5  o 0 8.2    10.2  ?    ?   101.876  139.759      36.6095    139.759      34.763      -40.2414     
1 1 1 27 3  6  o 0 92.2   13.4  ?    ?   298.344  11.1455      371.273    11.1455      161.695     11.1455      
1 1 1 27 3  7  o 0 106.3  12.4  ?    ?   364.032  21.0747      379.528    21.0747      123.254     21.0747      
1 1 1 27 3  8  o 0 4.7    9.8   ?    ?   133.125  -34.6352     14.898     -34.6352     78.9726     145.365      
1 1 1 27 3  9  o 0 -4.1   9.9   ?    ?   49.375   -177.173     1.90997    2.8266       36.7644     2.8266       
1 1 1 27 3  10 o 0 65.5   11    ?    ?   307.211  -62.7885     277.311    -62.7885     65.0324     -62.7885     
1 1 1 27 3  11 f 1 121.9  15    ?    ?   437.334  167.582      383.512    167.582      82.0618     167.582      
1 1 1 27 3  12 o 0 28     11.2  ?    ?   207.361  176.523      135.577    176.523      7.67183     -3.47718     
1 1 1 27 3  13 o 0 34.6   9.2   ?    ?   244.694  68.6824      174.74     68.6824      10.5029     68.6824      
1 1 1 27 3  14 o 0 30.1   10.2  ?    ?   225.587  -127.994     148.307    -127.994     2.91056     52.006       
1 1 1 27 3  15 o 0 44.7   9.9   ?    ?   205.338  105.218      252.187    105.218      116.339     105.218      
1 1 1 27 3  16 o 0 57.4   10.8  ?    ?   287.862  47.6064      262.198    47.6064      72.1726     47.6064      
1 1 1 27 3  17 o 0 8      8.9   ?    ?   169.35   -8.02155     44.1513    -8.02155     61.0721     171.978      
1 1 1 27 3  18 f 1 17.7   10.7  ?    ?   122.927  38.8685      113.96     38.8685      38.0129     38.8685      
1 1 1 27 3  19 o 0 106.9  16.4  ?    ?   224.201  24.7096      476.677    24.7096      350.996     24.7096      
1 1 1 27 3  20 o 0 26.7   13.7  ?    ?   107.881  -102.827     170.162    -102.827     109.928     -102.827     
1 1 1 27 4  0  o 0 7.2    12.8  ?    ?   38.3683  -90          13.3599    -90          12.7815     90           
1 1 1 27 4  1  o 0 8.6    8.9   ?    ?   27.2752  -57.5442     11.4126    -57.5442     7.27758     122.456      
1 1 1 27 4  2  f 1 3.6    10.1  ?    ?   28.0499  -127.616     8.17989    -127.616     11.132      52.3843      
1 1 1 27 4  3  f 1 8.7    10.4  ?    ?   82.8943  52.8761      37.5528    52.8761      19.7744     -127.124     
1 1 1 27 4  4  o 0 0.1    10.3  ?    ?   112.438  -41.2169     3.90859    -41.2169     74.3536     138.783      
1 1 1 27 4  5  o 0 5.1    9.4   ?    ?   43.2284  -136.663     13.0624    -136.663     17.126      43.3374      
1 1 1 27 4  6  o 0 67.1   10.5  ?    ?   445.194  -88.8275     188.936    -88.8275     122.818     91.1725      
1 1 1 27 4  7  o 0 23.5   11.1  ?    ?   248.7    -124.326     81.0557    -124.326     93.4839     55.6743      
1 1 1 27 4  8  o 0 -1.9   9.4   ?    ?   50.1046  63.3487      0.241704   -116.651     35.4644     -116.651     
1 1 1 27 4  9  o 0 -3.2   8.9   ?    ?   22.9325  -141.98      0.140506   -141.98      15.6486     38.0205      
1 1 1 27 4  10 f 1 90.2   12.8  ?    ?   277.441  84.4124      384.866    84.4124      194.21      84.4124      
1 1 1 27 4  11 o 0 0.4    9.6   ?    ?   49.5928  156.816      8.76042    156.816      25.4137     -23.1841     
1 1 1 27 4  12 o 0 26.8   10.3  ?    ?   273.763  -34.2508     99.9582    -34.2508     83.4317     145.749      
1 1 1 27 4  13 o 0 44     11.5  ?    ?   191.898  157.178      244.842    157.178      116.389     157.178      
1 1 1 27 4  14 o 0 -9.2   10.3  ?    ?   61.4286  -39.0768     2.09406    140.923      43.1636     140.923      
1 1 1 27 4  15 o 0 -5.2   9.8   ?    ?   89.8996  -121.003     5.84636    -121.003     53.4793     58.9968      
1 1 1 27 4  16 o 0 -1.6   9.3   ?    ?   164.206  48.463       6.20395    -131.537     114.337     -131.537     
1 1 1 27 4  17 o 0 19.3   9.3   ?    ?   150.441  7.78698      124.686    7.78698      31.4304     7.78698      
1 1 1 27 4  18 o 0 0.9    10.1  ?    ?   106.023  -2.82939     32.188     -2.82939     33.3369     177.171      
1 1 1 27 4  19 o 0 20     12.4  ?    ?   197.888  -106.345     108.085    -106.345     2.60939     73.6546      
1 1 1 27 5  0  o 0 -9.5   15.1  ?    ?   103.387  90           21.0564    90           49.2572     -90          
1 1 1 27 5  1  f 1 32.6   10.2  ?    ?   145.574  -144.94      184.642    -144.94      85.3209     -144.94      
1 1 1 27 5  2  o 0 -2.6   9.7   ?    ?   158.162  -130.441     21.2829    49.5587      130.025     49.5587      
1 1 1 27 5  3  o 0 9.6    10.4  ?    ?   236.932  116.273      2.13074    116.273      161.507     -63.7275     
1 1 1 27 5  4  o 0 -5.1   9.6   ?    ?   97.6792  -28.1863     11.9037    151.814      79.6308     151.814      
1 1 1 27 5  5  o 0 13.3   9.4   ?    ?   179.905  177.415      47.9298    177.415      77.2282     -2.58511     
1 1 1 27 5  6  o 0 78.7   11.5  ?    ?   355.355  120.521      288.97     120.521      41.0618     120.521      
1 1 1 27 5  7  o 0 11.4   9.6   ?    ?   79.9856  70.6636      47.0867    70.6636      8.84018     -109.336     
1 1 1 27 5  8  o 0 11.5   9.6   ?    ?   131.899  -118.921     57.8176    -118.921     32.5604     61.079       
1 1 1 27 5  9  o 0 -1.9   8.7   ?    ?   57.9674  -95.7363     0.647381   -95.7363     39.1212     84.2637      
1 1 1 27 5  10 o 0 0.1    10.3  ?    ?   100.048  48.231       12.3298    48.231       56.3594     -131.769     
1 1 1 27 5  11 o 0 13.6   9.1   ?    ?   147.141  26.5642      66.0139    26.5642      35.034      -153.436     
1 1 1 27 5  12 o 0 9.1    10.4  ?    ?   63.5552  90.6985      43.8185    90.6985      1.3857      90.6985      
1 1 1 27 5  13 o 0 9.1    9.8   ?    ?   19.4074  -134.932     15.6529    -134.932     2.70413     -134.932     
1 1 1 27 5  14 o 0 -1.7   9.5   ?    ?   133.229  120.952      6.11791    120.952      81.6692     -59.0475     
1 1 1 27 5  15 o 0 44.7   9.6   ?    ?   284.141  -62.7741     207.838    -62.7741     20.9051     -62.7741     
1 1 1 27 5  16 o 0 -0.4   11.2  ?    ?   127.715  129.055      20.43      129.055      63.4235     -50.9446     
1 1 1 27 5  17 o 0 1.5    9.8   ?    ?   67.8877  -137.077     31.5963    -137.077     10.3655     42.9232      
1 1 1 27 5  18 o 0 23.6   11.2  ?    ?   164.583  143.799      134.278    143.799      32.8429     143.799      
1 1 1 27 5  19 o 0 23.9   12.8  ?    ?   131.799  -178.302     151.511    -178.302     77.9809     -178.302     
1 1 1 27 6  0  o 0 -2.6   14    ?    ?   138.083  90           31.4845    90           61.9879     -90          
1 1 1 27 6  1  o 0 0.8    12.1  ?    ?   32.839   -35.8388     9.52577    -35.8388     12.8332     144.161      
1 1 1 27 6  2  o 0 13.1   10.6  ?    ?   144.215  -173.63      58.7115    -173.63      39.9885     6.36972      
1 1 1 27 6  3  o 0 6.7    10.3  ?    ?   54.7688  -93.3521     22.6234    -93.3521     15.0315     86.6479      
1 1 1 27 6  4  o 0 35.2   10.5  ?    ?   205.52   110.826      182.349    110.826      40.486      110.826      
1 1 1 27 6  5  o 0 3      9.1   ?    ?   10.4662  -143.106     2.05743    -143.106     5.19165     36.894       
1 1 1 27 6  6  f 1 31.4   8.6   ?    ?   421.125  89.0616      37.4359    89.0616      254.328     -90.9384     
1 1 1 27 6  7  f 1 17.6   8.2   ?    ?   119.098  68.5011      100.995    68.5011      20.0873     68.5011      
1 1 1 27 6  8  o 0 -3.7   7.7   ?    ?   163.014  49.8552      36.4573    -130.145     147.686     -130.145     
1 1 1 27 6  9  f 1 -1.9   7.8   ?    ?   127.544  -9.15452     16.862     170.845      103.779     170.845      
1 1 1 27 6  10 o 0 25.7   8.4   ?    ?   165.727  -174.414     149.491    -174.414     36.1687     -174.414     
1 1 1 27 6  11 o 0 23.2   8.8   ?    ?   139.206  0.565896     142.386    0.565896     49.7926     0.565896     
1 1 1 27 6  12 o 0 10.5   9.1   ?    ?   123.135  -171.677     56.0466    -171.677     25.8475     8.32328      
1 1 1 27 6  13 o 0 -2.4   9.5   ?    ?   77.1141  -140.73      5.36166    -140.73      45.8955     39.2704      
1 1 1 27 6  14 o 0 3.5    8.2   ?    ?   136.87   -167.4       17.5157    -167.4       72.3392     12.6003      
1 1 1 27 6  15 o 0 29.2   10.2  ?    ?   237.976  64.0929      135.599    64.0929      20.4024     -115.907     
1 1 1 27 6  16 o 0 9.7    10.6  ?    ?   79.2922  15.7758      71.7877    15.7758      22.8269     15.7758      
1 1 1 27 6  17 o 0 8.6    10.9  ?    ?   145.449  -130.633     58.8054    -130.633     30.7943     49.3672      
1 1 1 27 6  18 o 0 37.2   14.7  ?    ?   219.425  -146.013     180.587    -146.013     58.1616     -146.013     
1 1 1 27 7  0  o 0 -5.2   12.8  ?    ?   150.136  -90          27.7904    -90          73.3022     90           
1 1 1 27 7  1  o 0 16.7   11.4  ?    ?   37.0187  -82.844      43.5833    -82.844      18.5109     -82.844      
1 1 1 27 7  2  o 0 204.7  25.9  ?    ?   548.72   -10.5653     473.34     -10.5653     99.748      -10.5653     
1 1 1 27 7  3  o 0 48.5   11.9  ?    ?   255.045  -33.2481     218.14     -33.2481     43.6894     -33.2481     
1 1 1 27 7  4  o 0 4.4    9.9   ?    ?   132.073  -179.568     13.1801    -179.568     77.5236     0.431636     
1 1 1 27 7  5  o 0 64.4   10.2  ?    ?   274.345  6.76007      287.904    6.76007      102.944     6.76007      
1 1 1 27 7  6  o 0 6.9    9.4   ?    ?   73.8959  138.459      30.9665    138.459      18.9998     -41.5406     
1 1 1 27 7  7  f 1 -1.1   7.9   ?    ?   29.4156  -4.12377     0.075682   -4.12377     19.811      175.876      
1 1 1 27 7  8  o 0 -3.9   8.2   ?    ?   111.241  25.534       15.6613    -154.466     91.2044     -154.466     
1 1 1 27 7  9  o 0 -2.1   7.8   ?    ?   99.2435  132.432      10.9319    -47.5682     78.4218     -47.5682     
1 1 1 27 7  10 o 0 46.9   8.5   ?    ?   314.773  -95.3811     198.497    -95.3811     9.84591     84.6189      
1 1 1 27 7  11 o 0 9.8    8.5   ?    ?   254.661  43.8124      2.10603    -136.188     170.737     -136.188     
1 1 1 27 7  12 o 0 34.6   9.2   ?    ?   296.308  35.3841      143.123    35.3841      53.0818     -144.616     
1 1 1 27 7  13 o 0 -1.1   9.8   ?    ?   65.7127  -116.785     16.1824    -116.785     26.8175     63.2146      
1 1 1 27 7  14 f 1 0      10.1  ?    ?   172.673  3.79737      2.38523    3.79737      110.211     -176.203     
1 1 1 27 7  15 f 1 -6.9   9.4   ?    ?   153.988  -11.8444     6.65731    168.156      101.291     168.156      
1 1 1 27 7  16 o 0 13.2   8.9   ?    ?   184.594  -109.826     65.7932    -109.826     47.7372     70.1737      
1 1 1 27 7  17 f 1 6.7    11.1  ?    ?   175.256  105.414      56.7132    105.414      40.7123     -74.5856     
1 1 1 27 7  18 o 0 1.9    9.6   ?    ?   70.4889  55.9701      47.5177    55.9701      8.33665     55.9701      
1 1 1 27 8  0  o 0 4.5    13.8  ?    ?   110.458  -90          36.6921    -90          35.636      90           
1 1 1 27 8  1  o 0 6      9.5   ?    ?   136.611  166.195      24.5373    166.195      65.4471     -13.8051     
1 1 1 27 8  2  o 0 68.1   10.4  ?    ?   350.86   -166.163     251.204    -166.163     18.8679     -166.163     
1 1 1 27 8  3  o 0 15.5   10.3  ?    ?   71.9344  101.045      72.2585    101.045      24.3996     101.045      
1 1 1 27 8  4  o 0 43.7   12    ?    ?   201.466  -37.2953     227.306    -37.2953     92.7146     -37.2953     
1 1 1 27 8  5  o 0 28     9.3   ?    ?   164.679  -58.4473     160.275    -58.4473     49.8663     -58.4473     
1 1 1 27 8  6  o 0 23     8.3   ?    ?   307.602  -18.6596     56.0496    -18.6596     150.808     161.34       
1 1 1 27 8  7  o 0 51.6   9.2   ?    ?   253.219  178.027      247.051    178.027      76.3388     178.027      
1 1 1 27 8  8  o 0 11.6   8.5   ?    ?   129.804  -142.512     60.324     -142.512     24.9406     37.4879      
1 1 1 27 8  9  o 0 9.1    8.5   ?    ?   169.524  118.627      32.8004    118.627      78.7221     -61.3728     
1 1 1 27 8  10 o 0 16.9   8.2   ?    ?   100.222  8.0695       99.2155    8.0695       33.2166     8.0695       
1 1 1 27 8  11 o 0 29.8   9.8   ?    ?   88.2242  169.5        180.238    169.5        122.109     169.5        
1 1 1 27 8  12 o 0 30.6   8.3   ?    ?   75.8822  12.4345      202.686    12.4345      153.249     12.4345      
1 1 1 27 8  13 o 0 13.5   9.7   ?    ?   128.355  -3.12478     80.7952    -3.12478     2.79535     176.875      
1 1 1 27 8  14 o 0 13.4   9.2   ?    ?   129.986  154.042      89.5323    154.042      9.70681     154.042      
1 1 1 27 8  15 o 0 52.3   9.8   ?    ?   435.684  -66.9267     162.69     -66.9267     104.532     113.073      
1 1 1 27 8  16 o 0 7.6    9.6   ?    ?   13.1852  -120.45      13.2864    -120.45      5.21307     -120.45      
1 1 1 27 8  17 o 0 -21.7  11.4  ?    ?   58.6792  100.961      10.7016    100.961      21.8613     -79.0391     
1 1 1 27 8  18 o 0 23.3   8.9   ?    ?   167.108  30.6866      155.775    30.6866      63.2788     30.6866      
1 1 1 27 9  0  o 0 13.1   18.8  ?    ?   74.3882  90           42.6855    90           5.70613     -90          
1 1 1 27 9  1  o 0 29.3   13    ?    ?   172.509  123.393      147.863    123.393      34.9657     123.393      
1 1 1 27 9  2  o 0 61.9   11.9  ?    ?   427.57   152.738      175.395    152.738      105.936     -27.2621     
1 1 1 27 9  3  o 0 32.5   12.8  ?    ?   155.893  -127.999     173.665    -127.999     70.5978     -127.999     
1 1 1 27 9  4  o 0 0.1    10.6  ?    ?   73.3783  -119.924     13.6174    -119.924     35.1011     60.0761      
1 1 1 27 9  5  o 0 34.3   11.3  ?    ?   260.13   179.021      140.443    179.021      32.9009     -0.979401    
1 1 1 27 9  6  f 1 66.9   9.6   ?    ?   365.993  -117.321     248.822    -117.321     11.5342     -117.321     
1 1 1 27 9  7  o 0 7.6    8.2   ?    ?   68.5761  -131.388     32.0899    -131.388     12.6016     48.6117      
1 1 1 27 9  8  o 0 6.7    8.5   ?    ?   86.289   118.323      32.2841    118.323      24.0692     -61.6773     
1 1 1 27 9  9  o 0 28.4   8.3   ?    ?   186.659  -97.5594     165.985    -97.5594     43.8858     -97.5594     
1 1 1 27 9  10 o 0 -4.6   8.4   ?    ?   102.151  -0.942584    10.263     179.057      77.1583     179.057      
1 1 1 27 9  11 o 0 21.6   8.8   ?    ?   108.935  -76.7583     140.963    -76.7583     70.3872     -76.7583     
1 1 1 27 9  12 o 0 23.2   8.9   ?    ?   205.491  -163.972     118.477    -163.972     14.6824     16.0282      
1 1 1 27 9  13 o 0 -4.3   8.6   ?    ?   40.8518  111.71       7.89503    111.71       17.0814     -68.2904     
1 1 1 27 9  14 o 0 13.8   8.6   ?    ?   95.0479  53.8375      92.9812    53.8375      34.9102     53.8375      
1 1 1 27 9  15 o 0 48.8   10.8  ?    ?   318.182  76.0682      207.627    76.0682      13.4504     76.0682      
1 1 1 27 9  16 o 0 7.5    9.4   ?    ?   98.6225  -104.53      73.1509    -104.53      18.5737     -104.53      
1 1 1 27 9  17 o 0 9.8    9.3   ?    ?   148.439  -103.088     73.9616    -103.088     8.01834     76.9116      
1 1 1 27 10 0  o 0 1.7    15.6  ?    ?   35.3117  -90          12.1388    -90          10.6691     90           
1 1 1 27 10 1  o 0 -2.6   9.7   ?    ?   29.4067  -68.6594     3.97254    -68.6594     14.6099     111.341      
1 1 1 27 10 2  o 0 58.8   13.3  ?    ?   236.109  34.4089      271.908    34.4089      121.887     34.4089      
1 1 1 27 10 3  o 0 22.2   10.5  ?    ?   143.117  11.3115      123.052    11.3115      31.6712     11.3115      
1 1 1 27 10 4  o 0 24     9.8   ?    ?   277.936  -152.565     76.1272    -152.565     102.106     27.4352      
1 1 1 27 10 5  o 0 -2.6   10.6  ?    ?   67.8825  -3.37085     10.2897    -3.37085     33.4063     176.629      
1 1 1 27 10 6  o 0 -9.7   10.3  ?    ?   179.507  136.66       32.738     -43.3397     148.661     -43.3397     
1 1 1 27 10 7  o 0 115.3  12.5  ?    ?   448.464  95.2173      353.86     95.2173      63.4597     95.2173      
1 1 1 27 10 8  o 0 9      8.8   ?    ?   145.893  7.57813      39.6711    7.57813      55.0106     -172.422     
1 1 1 27 10 9  o 0 1.5    7.9   ?    ?   68.4613  -153.008     13.9192    -153.008     30.0835     26.9924      
1 1 1 27 10 10 o 0 -3.4   7.8   ?    ?   153.318  -18.1439     19.2039    161.856      117.87      161.856      
1 1 1 27 10 11 o 0 18.8   8.9   ?    ?   238.253  -107.816     68.4753    -107.816     84.9688     72.1841      
1 1 1 27 10 12 o 0 53.9   9.3   ?    ?   348.669  159.144      222.325    159.144      10.3365     159.144      
1 1 1 27 10 13 o 0 3.1    8.8   ?    ?   28.5076  177.821      16.4585    177.821      0.871583    -2.17899     
1 1 1 27 10 14 o 0 -2.3   8.3   ?    ?   25.813   -157.343     6.2585     -157.343     9.42448     22.6573      
1 1 1 27 10 15 o 0 27.2   9.5   ?    ?   312.166  109.933      108.137    109.933      63.9428     -70.0668     
1 1 1 27 10 16 o 0 15.2   10.5  ?    ?   241.576  155.258      63.4421    155.258      69.5315     -24.742      
1 1 1 27 11 0  o 0 -10.8  12.5  ?    ?   10.9929  90           1.95456    90           4.89671     -90          
1 1 1 27 11 1  o 0 -1.7   9.7   ?    ?   57.0954  124.357      7.65905    124.357      28.1467     -55.6427     
1 1 1 27 11 2  o 0 37     11.6  ?    ?   157.394  51.4493      202.802    51.4493      103.543     51.4493      
1 1 1 27 11 3  o 0 71.1   14    ?    ?   220.089  -47.0114     325.825    -47.0114     186.332     -47.0114     
1 1 1 27 11 4  o 0 15.4   10.8  ?    ?   143.145  100.194      80.25      100.194      10.8801     -79.8056     
1 1 1 27 11 5  o 0 -7.5   10.2  ?    ?   116.066  140.023      8.11117    -39.9768     82.2905     -39.9768     
1 1 1 27 11 6  o 0 47.8   12.7  ?    ?   254.424  -4.00352     220.258    -4.00352     58.9533     -4.00352     
1 1 1 27 11 7  o 0 27.3   9.9   ?    ?   158.124  -24.7074     160.572    -24.7074     60.0363     -24.7074     
1 1 1 27 11 8  o 0 6.2    9.6   ?    ?   87.6209  -21.8458     41.949     -21.8458     13.8911     158.154      
1 1 1 27 11 9  o 0 46.4   9.2   ?    ?   238.571  25.6596      235.113    25.6596      82.793      25.6596      
1 1 1 27 11 10 f 1 18.2   8.5   ?    ?   180.683  71.9438      104.329    71.9438      4.41021     -108.056     
1 1 1 27 11 11 o 0 7.8    8.2   ?    ?   86.2963  -172.77      54.0738    -172.77      1.95803     -172.77      
1 1 1 27 11 12 o 0 -2.7   9.1   ?    ?   158.431  -77.5904     0.433771   -77.5904     95.2874     102.41       
1 1 1 27 11 13 o 0 6.2    8.3   ?    ?   87.6928  37.6755      63.5928    37.6755      15.4727     37.6755      
1 1 1 27 11 14 f 1 25     8.3   ?    ?   203.646  -114.716     153.599    -114.716     42.19       -114.716     
1 1 1 27 11 15 o 0 75.7   12.1  ?    ?   313.32   49.0824      333.06     49.0824      161.364     49.0824      
1 1 1 27 12 0  o 0 21.5   11.6  ?    ?   255.041  90           108.842    90           47.0147     -90          
1 1 1 27 12 1  o 0 4.4    9.9   ?    ?   35.9864  72.1811      20.2542    72.1811      1.87664     -107.819     
1 1 1 27 12 2  o 0 64.6   11.4  ?    ?   314.623  -148.728     257.692    -148.728     63.097      -148.728     
1 1 1 27 12 3  o 0 47.8   12.6  ?    ?   285.692  15.8124      198.729    15.8124      21.1181     15.8124      
1 1 1 27 12 4  o 0 25.4   12.1  ?    ?   196.997  10.5395      120.539    10.5395      2.4931      -169.461     
1 1 1 27 12 5  o 0 20.8   10.9  ?    ?   161.266  12.3608      112.422    12.3608      11.2994     12.3608      
1 1 1 27 12 6  o 0 29.1   12.7  ?    ?   278.03   -144.799     97.2236    -144.799     77.7245     35.2012      
1 1 1 27 12 7  o 0 143    16.3  ?    ?   508.037  -116.561     379.76     -116.561     59.1301     -116.561     
1 1 1 27 12 8  o 0 2      7.9   ?    ?   91.3286  26.6417      25.1656    26.6417      29.3648     -153.358     
1 1 1 27 12 9  o 0 19.5   8.8   ?    ?   146.903  -63.2495     123.604    -63.2495     35.7172     -63.2495     
1 1 1 27 12 10 o 0 5      8.7   ?    ?   189.623  107.928      16.0543    107.928      97.5602     -72.0725     
1 1 1 27 12 11 o 0 29.7   9.3   ?    ?   347.211  158.085      87.754     158.085      120.495     -21.9155     
1 1 1 27 12 12 f 1 31     10.8  ?    ?   344.494  -43.6321     106.716    -43.6321     80.5677     136.368      
1 1 1 27 12 13 o 0 -9.2   9.9   ?    ?   40.8926  20.9097      15.0064    20.9097      7.28473     -159.09      
1 1 1 27 13 0  o 0 16.3   12.2  ?    ?   176.364  90           81.9349    90           24.8928     -90          
1 1 1 27 13 1  o 0 25.1   8.3   ?    ?   224.404  176.078      116.991    176.078      19.8148     -3.92226     
1 1 1 27 13 2  o 0 62.1   11.3  ?    ?   380.754  -99.0491     206.355    -99.0491     27.1297     80.9509      
1 1 1 27 13 3  o 0 29.6   14.4  ?    ?   247.801  -21.0188     102.946    -21.0188     49.8119     158.981      
1 1 1 27 13 4  o 0 21.7   11.4  ?    ?   22.3727  -52.4889     48.8031    -52.4889     34.9463     -52.4889     
1 1 1 27 13 5  o 0 22.3   9.1   ?    ?   186.445  -27.3174     124.645    -27.3174     15.2106     -27.3174     
1 1 1 27 13 6  o 0 14.6   9.8   ?    ?   302.275  -150.988     15.7516    -150.988     162.314     29.0121      
1 1 1 27 13 7  o 0 -3.9   8     ?    ?   91.9776  36.405       4.92658    36.405       49.4251     -143.595     
1 1 1 27 13 8  o 0 44.4   11.3  ?    ?   171.813  132.059      251.59     132.059      149.796     132.059      
1 1 1 27 13 9  o 0 4.5    8.1   ?    ?   112.273  -19.1882     33.7719    -19.1882     32.8871     160.812      
1 1 1 27 13 10 o 0 57.6   11.6  ?    ?   400.295  111.662      213.832    111.662      2.37623     -68.3381     
1 1 1 27 13 11 o 0 13.1   10    ?    ?   206.683  153.388      66.1426    153.388      45.6223     -26.612      
1 1 1 27 13 12 f 1 13.8   10.2  ?    ?   129.316  -104.267     100.671    -104.267     30.8735     -104.267     
1 1 1 27 14 0  o 0 -14.3  11.7  ?    ?   20.9771  -90          3.71279    -90          8.16641     90           
1 1 1 27 14 1  o 0 -1     8.9   ?    ?   149.642  -147.197     7.76958    -147.197     77.5314     32.8026      
1 1 1 27 14 2  o 0 -4.5   11.5  ?    ?   141.613  -179.025     15.7812    -179.025     65.428      0.975009     
1 1 1 27 14 3  o 0 -5.1   9.8   ?    ?   127.549  111.977      7.09296    111.977      66.4482     -68.0228     
1 1 1 27 14 4  o 0 12.5   16.9  ?    ?   81.1248  -110.06      86.1784    -110.06      39.1765     -110.06      
1 1 1 27 14 5  o 0 6.7    10.6  ?    ?   84.9725  92.0698      53.2104    92.0698      3.76669     92.0698      
1 1 1 27 14 6  o 0 18.1   12.2  ?    ?   153.957  -25.8852     98.1199    -25.8852     8.19645     -25.8852     
1 1 1 27 14 7  o 0 0.4    11.9  ?    ?   118.413  116.338      52.8129    116.338      10.2081     -63.6622     
1 1 1 27 14 8  o 0 -5.8   10.3  ?    ?   89.3954  -153.627     29.7774    -153.627     17.9314     26.3729      
1 1 1 27 14 9  f 1 7      10.9  ?    ?   119.274  87.8313      70.2369    87.8313      6.60197     87.8313      
1 1 1 27 14 10 o 0 -2.1   9.7   ?    ?   152.293  -90.9133     24.1817    -90.9133     57.4241     89.0867      
1 1 1 27 15 0  o 0 11.4   13.2  ?    ?   82.6924  -90          52.5793    -90          10.4698     -90          
1 1 1 27 15 1  o 0 -5.4   9.2   ?    ?   124.1    -23.7234     18.7457    -23.7234     44.877      156.277      
1 1 1 27 15 2  o 0 63.2   14    ?    ?   320.799  -171.683     253.073    -171.683     87.5951     -171.683     
1 1 1 27 15 3  f 1 22.2   12.7  ?    ?   352.769  138.959      38.5746    138.959      143.94      -41.041      
1 1 1 27 15 4  o 0 22     13    ?    ?   136.597  38.7629      131.059    38.7629      59.8484     38.7629      
1 1 1 27 15 5  o 0 -2.2   11.9  ?    ?   122.138  174.003      42.7415    174.003      21.2157     -5.99697     
1 1 1 27 15 6  f 1 -2.7   11.6  ?    ?   154.77   -86.7884     31.651     -86.7884     49.5038     93.2116      
1 1 1 27 15 7  o 0 42.3   10.9  ?    ?   260.255  -50.9303     211.016    -50.9303     73.7289     -50.9303     
1 1 1 27 16 1  o 0 11.2   9.5   ?    ?   123.763  -162.56      82.0639    -162.56      19.2677     -162.56      
1 1 1 28 0  1  o 0 25.6   17.2  ?    ?   19.7347  90           20.8935    90           7.8214      90           
1 1 1 28 0  2  o 0 6      11.6  ?    ?   132.082  0            41.932     0            46.0656     180          
1 1 1 28 0  3  o 0 17     12.8  ?    ?   23.4322  90           17.4063    90           1.71453     90           
1 1 1 28 0  4  o 0 17.7   11.6  ?    ?   109.201  180          72.1338    180          1.3257      3.81793e-13  
1 1 1 28 0  5  o 0 48.9   16.5  ?    ?   21.6328  -90          61.8865    -90          47.2771     -90          
1 1 1 28 0  6  o 0 25.7   13.8  ?    ?   131.274  -5.49977e-15 109.575    0            20.626      2.37176e-14  
1 1 1 28 0  7  o 0 -21    14.2  ?    ?   190.381  -90          25.932     -90          103.423     90           
1 1 1 28 0  8  o 0 127.6  18.1  ?    ?   451.135  0            351.475    0            52.755      0            
1 1 1 28 0  9  o 0 55.9   13.4  ?    ?   358.097  90           227.013    90           10.4945     -90          
1 1 1 28 0  11 o 0 12.6   12.5  ?    ?   163.199  90           70.6379    90           37.7911     -90          
1 1 1 28 0  13 o 0 2.3    13.5  ?    ?   37.5386  90           14.7005    90           9.95049     -90          
1 1 1 28 0  14 o 0 6.7    13.2  ?    ?   156.714  0            60.704     0            36.3315     180          
1 1 1 28 0  15 o 0 -2.3   14    ?    ?   78.2458  -90          27.14      -90          21.2424     90           
1 1 1 28 0  16 o 0 16.6   17.1  ?    ?   139.199  0            81.2357    0            4.6776      180          
1 1 1 28 1  0  o 0 7.8    12.6  ?    ?   52.8175  -1.17818e-12 21.4891    0            13.2469     180          
1 1 1 28 1  1  o 0 66.1   10    ?    ?   278.86   -37.5928     286.873    -37.5928     102.298     -37.5928     
1 1 1 28 1  2  o 0 9.7    11    ?    ?   116.879  79.4035      51.6028    79.4035      26.2053     -100.596     
1 1 1 28 1  3  o 0 27.6   10.3  ?    ?   97.7344  67.6169      160.705    67.6169      95.3073     67.6169      
1 1 1 28 1  4  o 0 110.2  12.7  ?    ?   348.382  178.912      397.655    178.912      163.486     178.912      
1 1 1 28 1  5  o 0 68.3   10.9  ?    ?   322.64   -59.9956     274.041    -59.9956     56.3243     -59.9956     
1 1 1 28 1  6  o 0 33.7   8.6   ?    ?   300.296  -13.9536     132.102    -13.9536     71.2126     166.046      
1 1 1 28 1  7  o 0 38.2   9.9   ?    ?   172.653  7.19555      220.813    7.19555      103.595     7.19555      
1 1 1 28 1  8  o 0 -6.2   9.5   ?    ?   167.391  -88.6362     26.1286    91.3638      136.883     91.3638      
1 1 1 28 1  9  o 0 48.8   9.9   ?    ?   206.474  -176.997     264.576    -176.997     127.732     -176.997     
1 1 1 28 1  10 o 0 0.2    10.1  ?    ?   143.979  17.804       6.82231    17.804       88.7123     -162.196     
1 1 1 28 1  11 o 0 27.9   9.5   ?    ?   196.724  52.2915      149.426    52.2915      18.8083     52.2915      
1 1 1 28 1  12 o 0 7.4    9.6   ?    ?   249.783  28.6327      5.31156    -151.367     169.305     -151.367     
1 1 1 28 1  13 o 0 92.8   11.6  ?    ?   394.996  88.2982      328.687    88.2982      69.4437     88.2982      
1 1 1 28 1  14 o 0 49.7   10.7  ?    ?   325.804  -98.3064     214.555    -98.3064     12.9199     -98.3064     
1 1 1 28 1  15 o 0 21.8   11.5  ?    ?   91.9917  -86.7419     138.028    -86.7419     81.1699     -86.7419     
1 1 1 28 1  16 o 0 3      13.1  ?    ?   187.528  -115.802     46.408     -115.802     58.6757     64.1985      
1 1 1 28 1  17 o 0 52.2   13.1  ?    ?   292.563  -161.191     241.457    -161.191     77.8829     -161.191     
1 1 1 28 2  0  o 0 117.2  20.1  ?    ?   434.234  180          322.102    180          36.9569     -180         
1 1 1 28 2  1  o 0 0.9    8.7   ?    ?   150.905  86.3124      6.62962    -93.6876     106.36      -93.6876     
1 1 1 28 2  2  o 0 10.6   8.2   ?    ?   179.873  -64.7247     33.2296    -64.7247     86.3304     115.275      
1 1 1 28 2  3  f 1 25     9     ?    ?   215.615  77.9923      118.119    77.9923      25.5649     -102.008     
1 1 1 28 2  4  o 0 25.1   9.1   ?    ?   274.032  -88.3308     87.3822    -88.3308     96.5302     91.6692      
1 1 1 28 2  5  o 0 58.5   10.7  ?    ?   309.378  -157.294     241.63     -157.294     33.1791     -157.294     
1 1 1 28 2  6  o 0 37.2   8.7   ?    ?   183.38   -166.178     214.038    -166.178     90.0668     -166.178     
1 1 1 28 2  7  o 0 7.1    8.7   ?    ?   56.7469  114.702      24.5208    114.702      13.9492     -65.2978     
1 1 1 28 2  8  f 1 14.8   8.5   ?    ?   84.792   178.515      79.3912    178.515      23.5135     178.515      
1 1 1 28 2  9  o 0 58.5   9.7   ?    ?   380.403  -64.3486     208.575    -64.3486     43.1882     115.651      
1 1 1 28 2  10 o 0 70.9   11    ?    ?   285.577  1.97725      313.027    1.97725      123.795     1.97725      
1 1 1 28 2  11 o 0 27.5   9.9   ?    ?   137.104  -92.5887     174.643    -92.5887     84.7594     -92.5887     
1 1 1 28 2  12 o 0 11.6   9.3   ?    ?   137.03   -15.5643     67.6557    -15.5643     22.1977     164.436      
1 1 1 28 2  13 o 0 18     9.3   ?    ?   247.821  -178.107     58.0921    -178.107     104.364     1.89274      
1 1 1 28 2  14 o 0 5.1    9.3   ?    ?   93.08    167.4        47.6729    167.4        9.86794     -12.6002     
1 1 1 28 2  15 o 0 13.6   10.7  ?    ?   125.349  -165.128     89.2217    -165.128     11.8274     -165.128     
1 1 1 28 2  16 o 0 24.6   12.3  ?    ?   166.729  -106.655     149.886    -106.655     56.5477     -106.655     
1 1 1 28 2  17 o 0 14     12.2  ?    ?   161.766  -163.921     92.5652    -163.921     2.20049     -163.921     
1 1 1 28 3  0  o 0 66.1   15.8  ?    ?   389.534  180          237.319    180          17.8913     -9.97933e-13 
1 1 1 28 3  1  o 0 17.5   9.1   ?    ?   67.4561  170.664      81.7997    170.664      37.3208     170.664      
1 1 1 28 3  2  o 0 9.6    8.1   ?    ?   94.0814  -12.4686     42.9111    -12.4686     19.4823     167.531      
1 1 1 28 3  3  o 0 22.5   8.7   ?    ?   67.2018  169.732      116.023    169.732      71.2264     169.732      
1 1 1 28 3  4  o 0 146.9  14    ?    ?   422.927  1.76587      451.279    1.76587      168.073     1.76587      
1 1 1 28 3  5  o 0 20.8   8.5   ?    ?   177.14   104.456      108.001    104.456      11.0873     -75.5445     
1 1 1 28 3  6  o 0 -2     9.1   ?    ?   105.064  -167.021     3.29459    12.9787      74.1661     12.9787      
1 1 1 28 3  7  o 0 -7.9   9.7   ?    ?   90.0384  174.029      6.73324    -5.97124     65.9604     -5.97124     
1 1 1 28 3  8  f 1 8      9.8   ?    ?   23.8687  -102.557     16.7302    -102.557     1.03381     -102.557     
1 1 1 28 3  9  o 0 5.9    8.3   ?    ?   160.394  -85.5572     16.7259    -85.5572     89.2102     94.4428      
1 1 1 28 3  10 o 0 38.6   9.3   ?    ?   256.221  150.641      187.643    150.641      18.2036     150.641      
1 1 1 28 3  11 o 0 35.8   9.7   ?    ?   170.736  152.197      219.095    152.197      107.381     152.197      
1 1 1 28 3  12 o 0 9.8    10.8  ?    ?   113.769  168.15       65.1114    168.15       9.34912     -11.8496     
1 1 1 28 3  13 o 0 60.9   11.6  ?    ?   373.19   68.8884      217.636    68.8884      26.5614     -111.112     
1 1 1 28 3  14 o 0 37.1   10    ?    ?   314.732  40.3955      157.625    40.3955      36.6021     -139.604     
1 1 1 28 3  15 f 1 58.3   12.5  ?    ?   196.133  -140.409     311.197    -140.409     190.61      -140.409     
1 1 1 28 3  16 o 0 23.8   12.1  ?    ?   200.883  39.2862      129.272    39.2862      16.9896     39.2862      
1 1 1 28 3  17 o 0 79.9   14.8  ?    ?   265.312  -112.394     364.232    -112.394     216.243     -112.394     
1 1 1 28 4  0  o 0 37.8   12.9  ?    ?   36.2175  180          75.8638    180          52.2065     -180         
1 1 1 28 4  1  o 0 10.3   9.4   ?    ?   50.3895  -20.1433     35.7747    -20.1433     2.64844     -20.1433     
1 1 1 28 4  2  o 0 -8     8.3   ?    ?   64.6566  177.48       12.0469    -2.5202      54.7989     -2.5202      
1 1 1 28 4  3  o 0 4.8    8.2   ?    ?   88.1454  -115.066     18.2052    -115.066     40.3799     64.9342      
1 1 1 28 4  4  o 0 52.5   9.3   ?    ?   325.031  -60.3732     206.753    -60.3732     10.2647     119.627      
1 1 1 28 4  5  o 0 7.2    8.3   ?    ?   149.988  -47.7869     21.423     -47.7869     79.1215     132.213      
1 1 1 28 4  6  o 0 -3     8.7   ?    ?   157.292  54.8165      18.5033    -125.183     121.385     -125.183     
1 1 1 28 4  7  o 0 7      8.1   ?    ?   49.2689  148.791      23.6358    148.791      8.68295     -31.2094     
1 1 1 28 4  8  o 0 80.1   12    ?    ?   312.033  98.6533      327.436    98.6534      122.273     98.6534      
1 1 1 28 4  9  o 0 32.2   10.7  ?    ?   187.725  7.20391      174.599    7.20391      50.9435     7.20391      
1 1 1 28 4  10 o 0 9.6    9.5   ?    ?   79.9795  -79.142      58.0094    -79.142      5.85404     -79.142      
1 1 1 28 4  11 o 0 32.8   9.3   ?    ?   145.849  83.1532      212.646    83.1532      117.458     83.1532      
1 1 1 28 4  12 o 0 64.8   11.5  ?    ?   270.956  16.7035      296.783    16.7035      119.883     16.7035      
1 1 1 28 4  13 o 0 24.4   9.7   ?    ?   136.964  -16.7296     161.891    -16.7296     77.5131     -16.7296     
1 1 1 28 4  14 o 0 12.8   13.2  ?    ?   30.5226  142.462      47.6134    142.462      28.8209     142.462      
1 1 1 28 4  15 o 0 22.1   14.6  ?    ?   135.355  58.5543      126.346    58.5543      43.097      58.5543      
1 1 1 28 4  16 o 0 31.4   13.3  ?    ?   175.802  154.774      175.765    154.774      77.7101     154.774      
1 1 1 28 4  17 o 0 9.9    14    ?    ?   138.53   -57.1756     87.7633    -57.1756     10.6495     -57.1756     
1 1 1 28 5  0  o 0 -9.1   12.5  ?    ?   180.968  -8.72941e-14 28.7612    0            89.0095     180          
1 1 1 28 5  1  o 0 28.9   8.4   ?    ?   205.134  146.728      151.691    146.728      17.3309     146.728      
1 1 1 28 5  2  o 0 -10.3  8.6   ?    ?   39.743   -103.91      8.06122    76.0902      34.2442     76.0902      
1 1 1 28 5  3  o 0 0.7    8.3   ?    ?   150.972  155.162      10.8469    -24.8383     110.827     -24.8383     
1 1 1 28 5  4  o 0 9.9    8.5   ?    ?   54.3905  -135         38.2547    -135         3.06718     -135         
1 1 1 28 5  5  o 0 15.7   8.6   ?    ?   194.25   19.9527      66.6586    19.9527      59.5181     -160.047     
1 1 1 28 5  6  o 0 -1.6   8.1   ?    ?   129.293  11.5314      9.76718    -168.469     94.0431     -168.469     
1 1 1 28 5  7  o 0 16.2   8.9   ?    ?   12.5896  58.575       19.0555    58.575       10.8252     58.575       
1 1 1 28 5  8  o 0 11.3   8.4   ?    ?   136.484  -76.385      56.3058    -76.385      33.1337     103.615      
1 1 1 28 5  9  o 0 5.4    9.1   ?    ?   112.954  -68.0078     27.9599    -68.0078     46.2        111.992      
1 1 1 28 5  10 f 1 12     8.4   ?    ?   67.3689  59.6941      64.2134    59.6941      20.5346     59.6941      
1 1 1 28 5  11 o 0 9.5    10    ?    ?   178.696  -38.474      41.8537    -38.474      74.4079     141.526      
1 1 1 28 5  12 o 0 21.7   9.8   ?    ?   187.843  141.743      110.748    141.743      11.517      -38.2573     
1 1 1 28 5  13 o 0 15     9.7   ?    ?   221.87   -89.6112     61.5745    -89.6112     74.7075     90.3888      
1 1 1 28 5  14 o 0 -4.2   11.8  ?    ?   150.484  -83.2614     16.3315    -83.2614     76.0555     96.7386      
1 1 1 28 5  15 o 0 -10.9  10.5  ?    ?   108.92   -21.296      19.6792    -21.296      40.9956     158.704      
1 1 1 28 5  16 o 0 -15.7  12.4  ?    ?   119.147  -150.954     20.3942    -150.954     45.8834     29.0464      
1 1 1 28 6  0  o 0 36.5   11.7  ?    ?   90.2371  8.39166e-15  142.722    0            85.8686     -5.55613e-15 
1 1 1 28 6  1  o 0 56.5   10.1  ?    ?   200.395  6.46396      289.559    6.46396      162.479     6.46396      
1 1 1 28 6  2  o 0 -7.2   8.4   ?    ?   118.826  27.4123      20.0927    -152.588     95.8884     -152.588     
1 1 1 28 6  3  o 0 6.5    9.5   ?    ?   77.1245  61.6638      32.9602    61.6638      16.4945     -118.336     
1 1 1 28 6  4  o 0 10.5   8.2   ?    ?   208.829  84.2417      23.8859    84.2417      110.648     -95.7583     
1 1 1 28 6  5  o 0 60.1   9.8   ?    ?   260.698  -122.989     279.861    -122.989     111.222     -122.989     
1 1 1 28 6  6  o 0 -3     9.5   ?    ?   96.1032  -105.639     2.37169    -105.639     60.0157     74.3615      
1 1 1 28 6  7  o 0 4.3    8.5   ?    ?   127.412  -45.9328     17.71      -45.9328     65.2508     134.067      
1 1 1 28 6  8  f 1 16.2   10.1  ?    ?   106.17   -63.9205     90.2159    -63.9205     21.0927     -63.9205     
1 1 1 28 6  9  o 0 12.4   9.2   ?    ?   206.7    110.962      43.9835    110.962      89.6743     -69.0377     
1 1 1 28 6  10 o 0 14.5   10    ?    ?   170.066  -126.996     74.3466    -126.996     35.7848     53.0038      
1 1 1 28 6  11 f 1 5.2    10    ?    ?   97.3909  97.8522      38.2388    97.8522      24.7299     -82.1478     
1 1 1 28 6  12 o 0 84     12.9  ?    ?   368.196  -160.129     320.2      -160.129     94.8381     -160.129     
1 1 1 28 6  13 o 0 11.2   11.7  ?    ?   149.833  -28.0435     70.8285    -28.0435     20.8839     151.957      
1 1 1 28 6  14 o 0 13.5   12.8  ?    ?   130.968  1.15746      87.0216    1.15746      6.88909     1.15746      
1 1 1 28 6  15 o 0 14.4   10.2  ?    ?   80.5568  -95.1532     109.883    -95.1532     65.1566     -95.1532     
1 1 1 28 6  16 o 0 9.1    14.3  ?    ?   136.609  4.59342      85.9216    4.59342      10.1731     4.59342      
1 1 1 28 7  1  o 0 90     11.8  ?    ?   520.583  -20.7544     224.639    -20.7544     103.842     159.246      
1 1 1 28 7  2  o 0 6.2    9     ?    ?   126.389  -84.1166     29.2693    -84.1166     50.9538     95.8834      
1 1 1 28 7  3  o 0 7.7    8.3   ?    ?   283.696  8.66963      30.6473    -171.33      211.678     -171.33      
1 1 1 28 7  4  o 0 137.5  14.2  ?    ?   499.249  141.283      378.083    141.283      57.9924     141.283      
1 1 1 28 7  5  o 0 13.8   9.5   ?    ?   197.896  166.692      51.5557    166.692      75.8545     -13.3084     
1 1 1 28 7  6  o 0 -2.2   9.9   ?    ?   39.2016  22.4455      5.92998    22.4455      19.4004     -157.555     
1 1 1 28 7  7  o 0 43.1   10.7  ?    ?   171.408  -148.246     249.284    -148.246     139.443     -148.246     
1 1 1 28 7  8  o 0 33.2   9.9   ?    ?   248.12   -56.841      160.899    -56.841      1.49077     -56.841      
1 1 1 28 7  9  o 0 -5.2   9.4   ?    ?   133.147  -17.6511     5.74936    162.349      91.4674     162.349      
1 1 1 28 7  10 o 0 3.5    9.3   ?    ?   103.433  -108.677     27.3653    -108.677     39.3278     71.3227      
1 1 1 28 7  11 o 0 23.4   11.6  ?    ?   133.269  99.0059      146.828    99.0059      65.6429     99.0059      
1 1 1 28 7  12 o 0 47     12.6  ?    ?   364.247  0.848458     162.813    0.848458     59.2154     -179.152     
1 1 1 28 7  13 o 0 44.7   12.6  ?    ?   214.897  -72.4599     226.197    -72.4599     95.1853     -72.4599     
1 1 1 28 7  14 o 0 25.1   11.9  ?    ?   165.452  -160.188     150.772    -160.188     59.1883     -160.188     
1 1 1 28 7  15 o 0 1.9    14.1  ?    ?   115.094  102.802      68.2813    102.802      4.62158     102.802      
1 1 1 28 8  0  o 0 -0.2   13.6  ?    ?   100.907  180          27.9442    180          34.9535     5.60963e-15  
1 1 1 28 8  1  o 0 0.4    10.1  ?    ?   173.556  169.665      2.38943    -10.3345     111.287     -10.3345     
1 1 1 28 8  2  o 0 -9.1   8.4   ?    ?   91.8009  134.41       16.5312    -45.5904     74.4779     -45.5904     
1 1 1 28 8  3  o 0 13.7   10.3  ?    ?   123.835  -135.746     72.8476    -135.746     5.7426      44.2543      
1 1 1 28 8  4  o 0 81.2   12.2  ?    ?   239.232  -14.4507     360.063    -14.4507     207.506     -14.4507     
1 1 1 28 8  5  o 0 35.7   10.8  ?    ?   251.203  57.7517      161.91     57.7517      2.85681     57.7517      
1 1 1 28 8  6  o 0 -5.2   9.8   ?    ?   125.521  -169.348     0.70701    10.6518      80.4778     10.6518      
1 1 1 28 8  7  o 0 57.1   12    ?    ?   255.234  75.788       266.007    75.788       103.286     75.788       
1 1 1 28 8  8  o 0 33.8   11.6  ?    ?   209.673  136.953      167.753    136.953      33.7221     136.953      
1 1 1 28 8  9  o 0 -0.6   10.1  ?    ?   138.048  -117.929     10.2902    -117.929     78.1461     62.0712      
1 1 1 28 8  10 o 0 12     10.2  ?    ?   133.947  0.355066     79.7117    0.355066     1.40467     -179.645     
1 1 1 28 8  11 o 0 24.3   11.6  ?    ?   185.047  -103.649     126.835    -103.649     14.6406     -103.649     
1 1 1 28 8  12 f 1 16.3   10.1  ?    ?   76.2463  -104.792     100.614    -104.792     54.4715     -104.792     
1 1 1 28 8  13 o 0 60.4   12.6  ?    ?   318.212  -74.7357     267.421    -74.7357     92.0212     -74.7357     
1 1 1 28 8  14 o 0 33.3   13.6  ?    ?   222.467  -133.814     161.359    -133.814     38.7579     -133.814     
1 1 1 28 9  0  o 0 33.6   17.2  ?    ?   232.965  180          133.206    180          9.46024     2.33292e-14  
1 1 1 28 9  1  o 0 12.7   11.7  ?    ?   55.3955  13.1471      61.011     13.1471      26.8598     13.1471      
1 1 1 28 9  2  o 0 23.6   11    ?    ?   146.343  89.4245      132.768    89.4245      41.9984     89.4245      
1 1 1 28 9  3  o 0 -8.5   9.7   ?    ?   60.9973  174.46       0.935111   174.46       37.1067     -5.54036     
1 1 1 28 9  4  f 1 81.2   14.8  ?    ?   233.858  -119.979     356.659    -119.979     210.47      -119.979     
1 1 1 28 9  5  o 0 20.1   11.3  ?    ?   93.9796  -74.3661     118.442    -74.3661     59.285      -74.3661     
1 1 1 28 9  6  o 0 4      9.2   ?    ?   106.377  -22.66       29.2007    -22.66       38.0149     157.34       
1 1 1 28 9  7  f 1 4.3    9.1   ?    ?   50.1797  -0.928965    22.7088    -0.928965    9.02012     179.071      
1 1 1 28 9  8  o 0 34.8   9.9   ?    ?   230.701  15.8975      186.522    15.8975      48.1186     15.8975      
1 1 1 28 9  9  o 0 -8.4   9.8   ?    ?   200.098  99.7251      26.3866    -80.2749     146.703     -80.2749     
1 1 1 28 9  10 o 0 -15.3  10.2  ?    ?   31.6874  63.9801      1.01517    63.9801      18.0719     -116.02      
1 1 1 28 9  11 o 0 -3.7   9.7   ?    ?   27.8142  -139.911     17.1449    -139.911     1.90846     -139.911     
1 1 1 28 9  12 o 0 77.4   12    ?    ?   233.699  165.201      379.353    165.201      251.229     165.201      
1 1 1 28 9  13 o 0 17.4   10.7  ?    ?   153.52   133.349      113.194    133.349      28.9961     133.349      
1 1 1 28 10 0  o 0 41.3   17.1  ?    ?   92.6725  1.44116e-13  138.528    0            82.1671     -9.88537e-14 
1 1 1 28 10 1  o 0 -4     10.7  ?    ?   110.393  -75.2405     10.641     -75.2404     56.9537     104.76       
1 1 1 28 10 2  o 0 0.3    12.2  ?    ?   97.2902  -75.2899     31.1729    -75.2899     28.7674     104.71       
1 1 1 28 10 3  o 0 19.5   11.6  ?    ?   275.567  -1.52568     44.1372    -1.52568     126.59      178.474      
1 1 1 28 10 4  o 0 2.5    14.6  ?    ?   168.51   107.721      31.7753    107.721      73.1486     -72.2788     
1 1 1 28 10 5  o 0 38.2   9.9   ?    ?   225.277  128.358      204.328    128.358      71.3589     128.358      
1 1 1 28 10 6  o 0 7.6    12.3  ?    ?   111.131  18.2207      67.4467    18.2207      1.59454     18.2207      
1 1 1 28 10 7  o 0 14.5   8.3   ?    ?   86.8128  -127.613     94.8855    -127.613     43.2686     -127.613     
1 1 1 28 10 8  o 0 -4.5   10.7  ?    ?   122.552  -46.2941     15.9136    -46.2941     57.1633     133.706      
1 1 1 28 10 9  o 0 83.1   15.3  ?    ?   482.889  -103.753     228.672    -103.753     59.9569     76.2472      
1 1 1 28 10 10 f 1 16.2   9.1   ?    ?   338.493  153.34       23.926     153.34       159.705     -26.6602     
1 1 1 28 10 11 o 0 31.5   10.4  ?    ?   131.357  66.5085      208.219    66.5085      136.674     66.5085      
1 1 1 28 10 12 o 0 14.3   9.7   ?    ?   141.961  177.164      100.566    177.164      23.171      177.164      
1 1 1 28 11 0  o 0 10.1   14.6  ?    ?   18.6972  -180         11.6774    180          1.02619     180          
1 1 1 28 11 1  o 0 2.3    10.2  ?    ?   90.3298  -62.0871     37.6766    -62.0871     14.1364     117.913      
1 1 1 28 11 2  o 0 -5.2   14.3  ?    ?   100.763  -131.903     37.7166    -131.903     20.4447     48.0974      
1 1 1 28 11 3  o 0 18.1   11.6  ?    ?   157.456  -92.1461     100.923    -92.1461     9.51872     -92.1461     
1 1 1 28 11 4  o 0 14.9   11.9  ?    ?   116.922  45.7336      94.0482    45.7336      25.8256     45.7336      
1 1 1 28 11 5  o 0 16.2   10.5  ?    ?   215.909  73.2722      65.0056    73.2722      61.5522     -106.728     
1 1 1 28 11 6  o 0 3.2    10.1  ?    ?   39.9451  -46.4815     25.3048    -46.4815     1.7958      -46.4815     
1 1 1 28 11 7  o 0 18.6   10.1  ?    ?   135.075  -76.3296     112.072    -76.3296     32.2968     -76.3296     
1 1 1 28 11 8  o 0 34     11    ?    ?   247.806  -125.181     170.139    -125.181     36.8154     -125.181     
1 1 1 28 11 9  f 1 20.4   10.1  ?    ?   194.031  140.238      114.489    140.238      10.1043     140.238      
1 1 1 28 11 10 o 0 18     10.8  ?    ?   184.33   99.7397      102.442    99.7397      2.81947     99.7397      
1 1 1 28 12 1  o 0 -0.9   12.9  ?    ?   48.2703  60.844       28.6819    60.844       1.21387     60.844       
1 1 1 28 12 2  o 0 -0.2   13.5  ?    ?   101.516  117.288      42.9428    117.288      15.1951     -62.7119     
1 1 1 28 12 4  o 0 61.2   12.4  ?    ?   354.231  164.435      244.216    164.435      57.915      164.435      
1 1 1 28 12 5  o 0 42.7   12.4  ?    ?   322.204  -143.253     169.432    -143.253     0.823474    36.7471      
1 1 1 28 12 6  o 0 13.4   10.8  ?    ?   120.299  -15.9489     98.4835    -15.9489     34.6512     -15.9489     
1 1 1 28 12 7  o 0 2.3    9.9   ?    ?   83.6276  106.789      50.2284    106.789      5.69266     106.789      
1 1 1 28 12 8  f 1 17.5   10.2  ?    ?   252.808  87.6782      69.4522    87.6782      65.2554     -92.3218     
1 1 1 28 13 1  o 0 82.3   16    ?    ?   357.311  -1.8944      291.817    -1.8944      108.717     -1.8944      
1 1 1 28 13 2  o 0 6.1    12.4  ?    ?   112.528  -34.6112     69.8447    -34.6112     11.8036     -34.6112     
1 1 1 28 13 4  o 0 77.4   12.7  ?    ?   380.924  -149.863     286.304    -149.863     87.5871     -149.863     
1 1 1 28 13 5  o 0 19.3   11.2  ?    ?   157.941  179.695      116.176    179.695      33.3833     179.695      
1 1 1 28 13 6  o 0 -15.4  12.5  ?    ?   59.0727  42.4562      22.1784    42.4562      8.92088     -137.544     
1 1 1 29 0  1  o 0 9.4    14.2  ?    ?   179.542  -90          62.5793    -90          50.3535     90           
1 1 1 29 0  2  o 0 17.2   13.5  ?    ?   4.71267  180          3.55368    180          0.570213    180          
1 1 1 29 0  3  o 0 5      12.9  ?    ?   39.6052  -90          14.6909    -90          10.5283     90           
1 1 1 29 0  4  o 0 -15.2  11.9  ?    ?   145.061  180          21.6113    180          70.1883     -4.61703e-15 
1 1 1 29 0  5  f 1 -1.9   12.5  ?    ?   9.33902  -90          2.78431    -90          3.13769     90           
1 1 1 29 0  6  f 1 47     14.9  ?    ?   164.102  180          190.911    180          86.435      180          
1 1 1 29 0  7  o 0 45.8   15.7  ?    ?   236.214  90           185.444    90           34.151      90           
1 1 1 29 0  8  o 0 3.1    13.3  ?    ?   1.89438  -180         0.748552   180          0.468265    1.03292e-12  
1 1 1 29 0  9  o 0 0.4    12.7  ?    ?   25.0008  90           9.60675    90           5.58378     -90          
1 1 1 29 0  10 o 0 20.5   13.4  ?    ?   150.758  -180         98.8588    180          7.09443     180          
1 1 1 29 0  11 o 0 5.7    13.1  ?    ?   262.219  -90          66.093     -90          93.7189     90           
1 1 1 29 1  0  o 0 -10.7  13.1  ?    ?   6.17343  -90          1.16883    -90          2.68514     90           
1 1 1 29 1  1  o 0 8.1    10.6  ?    ?   118.431  8.43413      44.7693    8.43413      29.6904     -171.566     
1 1 1 29 1  2  o 0 36     10.4  ?    ?   141.622  -84.9897     212.311    -84.9897     122.695     -84.9897     
1 1 1 29 1  3  o 0 24.2   10.3  ?    ?   209.228  159.785      115.372    159.785      16.2873     -20.2154     
1 1 1 29 1  4  o 0 17.7   9     ?    ?   156.277  -48.4538     99.443     -48.4538     0.5918      -48.4538     
1 1 1 29 1  5  o 0 15.1   9     ?    ?   139.935  -8.82873     86.9299    -8.82873     1.99203     171.171      
1 1 1 29 1  6  o 0 4.5    9.9   ?    ?   115.052  -8.85628     35.3432    -8.85628     38.0606     171.144      
1 1 1 29 1  7  o 0 75     10.4  ?    ?   357.711  164.533      284.204    164.533      55.1952     164.533      
1 1 1 29 1  8  o 0 48.9   10.7  ?    ?   225.863  149.404      248.366    149.404      103.348     149.404      
1 1 1 29 1  9  o 0 -20.4  9.4   ?    ?   63.2526  -131.212     8.08887    48.7878      46.5062     48.7878      
1 1 1 29 1  10 o 0 -1.4   9.6   ?    ?   194.823  55.1387      5.6408     -124.861     124.185     -124.861     
1 1 1 29 1  11 o 0 75.9   12.6  ?    ?   231.947  -7.53312     361.265    -7.53312     219.947     -7.53312     
1 1 1 29 1  12 o 0 39.5   11.6  ?    ?   291.325  -104.918     182.706    -104.918     21.3699     -104.918     
1 1 1 29 1  13 o 0 -3.4   12.7  ?    ?   20.5061  -176.401     19.1971    -176.401     7.83735     -176.401     
1 1 1 29 1  14 o 0 -13    12.9  ?    ?   125.217  -108.285     26.9834    -108.285     42.3697     71.7152      
1 1 1 29 2  0  o 0 25.3   12.4  ?    ?   173.625  -90          115.806    -90          7.54743     -90          
1 1 1 29 2  1  f 1 10.8   9     ?    ?   160.964  84.6489      45.1187    84.6489      55.6987     -95.3511     
1 1 1 29 2  2  o 0 10.7   9.1   ?    ?   97.9695  -92.3875     63.2979    -92.3875     2.08178     -92.3875     
1 1 1 29 2  3  o 0 11.1   9.2   ?    ?   179.178  168.576      47.6304    168.576      64.9816     -11.4244     
1 1 1 29 2  4  o 0 -2.4   9.9   ?    ?   37.6439  34.4121      9.26468    34.4121      14.5176     -145.588     
1 1 1 29 2  5  o 0 19.2   9.5   ?    ?   86.7283  130.868      115.916    130.868      60.8706     130.868      
1 1 1 29 2  6  o 0 57.5   10.5  ?    ?   227.562  124.749      287.672    124.749      142.657     124.749      
1 1 1 29 2  7  f 1 29.7   9.1   ?    ?   194.062  -129.876     164.415    -129.876     40.637      -129.876     
1 1 1 29 2  8  o 0 -1.7   9.1   ?    ?   144.471  6.92157      1.90003    -173.078     94.5556     -173.078     
1 1 1 29 2  9  o 0 4.7    9.4   ?    ?   79.2455  -67.0342     44.1037    -67.0342     3.97549     112.966      
1 1 1 29 2  10 o 0 25     9.5   ?    ?   223.226  60.4051      124.967    60.4051      10.7202     -119.595     
1 1 1 29 2  11 o 0 -0.5   12.4  ?    ?   149.12   -170.766     30.1411    -170.766     60.6239     9.2345       
1 1 1 29 2  12 o 0 57.8   11.6  ?    ?   238.402  -134.486     303.959    -134.486     172.053     -134.486     
1 1 1 29 2  13 f 1 10.8   13    ?    ?   90.9254  -179.891     95.0321    -179.891     44.8348     -179.891     
1 1 1 29 2  14 o 0 6.7    14.8  ?    ?   154.282  -97.0789     73.6175    -97.0789     11.7669     82.9211      
1 1 1 29 3  0  o 0 -1.7   13.2  ?    ?   4.363    -90          1.34494    -90          1.33937     90           
1 1 1 29 3  1  f 1 11.9   9.8   ?    ?   208.039  43.8358      40.025     43.8358      88.5477     -136.164     
1 1 1 29 3  2  o 0 59.5   9.9   ?    ?   244.194  -9.42764     282.765    -9.42764     130.48      -9.42764     
1 1 1 29 3  3  f 1 20.8   8.4   ?    ?   128.65   -89.8852     130.078    -89.8852     49.5874     -89.8852     
1 1 1 29 3  4  o 0 44.3   9.8   ?    ?   209.113  116.124      236.596    116.124      104.739     116.124      
1 1 1 29 3  5  o 0 9      8.6   ?    ?   35.986   -112.39      30.1246    -112.39      7.32794     -112.39      
1 1 1 29 3  6  o 0 42.3   10.8  ?    ?   167.046  57.8746      243.958    57.8746      137.706     57.8746      
1 1 1 29 3  7  o 0 2.1    10.8  ?    ?   186.891  -21.1882     6.57259    -21.1882     112.721     158.812      
1 1 1 29 3  8  o 0 7.9    10    ?    ?   126.215  176.289      59.5869    176.289      16.6703     -3.71116     
1 1 1 29 3  9  o 0 7.1    10.6  ?    ?   25.4851  -85.7775     26.2217    -85.7775     10.7864     -85.7775     
1 1 1 29 3  10 o 0 31.3   11    ?    ?   178.711  143.879      176.53     143.879      68.0836     143.879      
1 1 1 29 3  11 o 0 26.4   11.4  ?    ?   174.658  76.8269      144.99     76.8269      38.8518     76.8269      
1 1 1 29 3  12 o 0 17.1   10.4  ?    ?   126.632  62.0861      122.348    62.0861      52.392      62.0861      
1 1 1 29 3  13 o 0 4.7    15.3  ?    ?   167.497  -94.0681     63.2205    -94.0681     29.3508     85.9319      
1 1 1 29 4  0  o 0 1.2    11.4  ?    ?   50.5376  -90          15.3224    -90          15.6862     90           
1 1 1 29 4  1  o 0 14.7   8.7   ?    ?   175.051  -9.90903     70.2972    -9.90903     37.875      170.091      
1 1 1 29 4  2  o 0 43.6   9.5   ?    ?   309.009  -74.48       177.563    -74.48       14.6276     105.52       
1 1 1 29 4  3  o 0 39.6   9.2   ?    ?   320.216  -89.1923     153.485    -89.1923     46.8455     90.8077      
1 1 1 29 4  4  o 0 5.4    9.2   ?    ?   46.7375  96.9474      26.1996    96.9474      3.19406     -83.0526     
1 1 1 29 4  5  o 0 16.6   10.1  ?    ?   145.787  -4.67842     92.7519    -4.67842     0.635493    -4.67842     
1 1 1 29 4  6  o 0 12.2   8.9   ?    ?   171.558  128.024      54.9558    128.024      53.891      -51.9756     
1 1 1 29 4  7  o 0 6.1    9.1   ?    ?   102.02   49.436       49.7686    49.436       11.5349     -130.564     
1 1 1 29 4  8  o 0 1.3    10.6  ?    ?   86.0546  -118.898     37.8909    -118.898     13.9759     61.1019      
1 1 1 29 4  9  o 0 -11.9  11.5  ?    ?   92.4642  105.964      9.80909    105.964      46.0604     -74.0358     
1 1 1 29 4  10 o 0 13.7   11.6  ?    ?   152.814  -101.745     80.8216    -101.745     11.697      78.2549      
1 1 1 29 4  11 o 0 44.8   10.9  ?    ?   242.016  23.3077      243.695    23.3077      110.418     23.3077      
1 1 1 29 4  12 f 1 -15.6  10.6  ?    ?   69.8427  128.124      14.092     128.124      24.3094     -51.8757     
1 1 1 29 4  13 f 1 -12.8  14    ?    ?   56.1941  -87.7462     32.7136    -87.7462     1.80061     -87.7462     
1 1 1 29 5  0  o 0 15.1   14.8  ?    ?   94.732   -90          57.8067    -90          0.119863    90           
1 1 1 29 5  1  o 0 47.1   9.9   ?    ?   288.5    -178.698     202.365    -178.698     24.6918     -178.698     
1 1 1 29 5  2  o 0 38.8   9.4   ?    ?   301.379  -172.054     157.917    -172.054     28.8992     7.94598      
1 1 1 29 5  3  o 0 72.4   11    ?    ?   319.16   76.7823      287.686    76.7823      88.6779     76.7823      
1 1 1 29 5  4  o 0 24.6   9.2   ?    ?   112.178  -39.2014     153.559    -39.2014     83.2399     -39.2014     
1 1 1 29 5  5  f 1 10.6   9.3   ?    ?   104.594  55.3217      60.6522    55.3217      5.054       -124.678     
1 1 1 29 5  6  o 0 42.5   9.6   ?    ?   267.724  -144.909     208.092    -144.909     48.296      -144.909     
1 1 1 29 5  7  o 0 11.6   9.2   ?    ?   230.5    -73.2124     36.0694    -73.2124     102.008     106.788      
1 1 1 29 5  8  o 0 9      10.6  ?    ?   35.5996  142.502      39.0842    142.502      17.6928     142.502      
1 1 1 29 5  9  o 0 -3.5   10.8  ?    ?   20.6166  145.82       8.80104    145.82       3.61912     -34.1796     
1 1 1 29 5  10 o 0 21.9   10.3  ?    ?   163.274  -53.4021     141.468    -53.4021     51.948      -53.4021     
1 1 1 29 5  11 o 0 22.1   10.9  ?    ?   185.66   125.772      127.829    125.772      25.8748     125.772      
1 1 1 29 5  12 o 0 6.6    11.1  ?    ?   133.221  -29.4211     67.8139    -29.4211     5.42231     150.579      
1 1 1 29 6  0  o 0 15.1   12.2  ?    ?   87.3035  90           54.0888    90           0.923733    90           
1 1 1 29 6  1  o 0 64.3   10.4  ?    ?   250.358  -155.259     290.647    -155.259     137.09      -155.259     
1 1 1 29 6  2  o 0 84.9   11.6  ?    ?   226.425  78.6383      375.641    78.6383      235.85      78.6383      
1 1 1 29 6  3  o 0 14.2   9.1   ?    ?   120.663  135.092      80.0056    135.092      5.06575     135.092      
1 1 1 29 6  4  o 0 24.4   9.4   ?    ?   153.299  -93.5488     150.923    -93.5488     60.5885     -93.5488     
1 1 1 29 6  5  o 0 23.2   9     ?    ?   128.077  -132.308     153.501    -132.308     77.6663     -132.308     
1 1 1 29 6  6  o 0 13.1   9.5   ?    ?   227.786  -79.6348     45.2248    -79.6348     90.2198     100.365      
1 1 1 29 6  7  o 0 133.8  15.6  ?    ?   387.32   85.7294      442.507    85.7294      211.349     85.7294      
1 1 1 29 6  8  o 0 5.1    10.3  ?    ?   111.46   48.8718      47.2367    48.8718      19.4949     -131.128     
1 1 1 29 6  9  o 0 15.6   9.2   ?    ?   145.607  76.9469      110.31     76.9469      30.9242     76.9469      
1 1 1 29 6  10 o 0 2.8    10.7  ?    ?   114.682  157.641      56.4721    157.641      6.18789     -22.3594     
1 1 1 29 6  11 o 0 36     10.8  ?    ?   347.417  -85.8377     134.164    -85.8377     55.9711     94.1623      
1 1 1 29 6  12 f 1 11.3   10.4  ?    ?   72.2682  -5.82925     90.2843    -5.82925     50.7886     -5.82925     
1 1 1 29 7  0  o 0 -11.1  11.9  ?    ?   57.6873  90           11.7008    90           21.2943     -90          
1 1 1 29 7  1  o 0 73     10    ?    ?   400.538  14.7699      254.533    14.7699      23.7779     14.7699      
1 1 1 29 7  2  o 0 93.9   12.2  ?    ?   420.326  162.324      309.819    162.324      66.0575     162.324      
1 1 1 29 7  3  o 0 35.9   9.8   ?    ?   241.493  -131.316     182.173    -131.316     41.2781     -131.316     
1 1 1 29 7  4  o 0 55.8   10    ?    ?   178.463  44.3465      305.93     44.3465      201.242     44.3465      
1 1 1 29 7  5  o 0 26.5   11.2  ?    ?   198.148  -166.049     133.246    -166.049     16.444      -166.049     
1 1 1 29 7  7  o 0 39     12.8  ?    ?   187.52   -144.956     201.694    -144.956     90.2597     -144.956     
1 1 1 29 7  8  o 0 -0.2   10    ?    ?   110.982  155.364      43.6306    155.364      16.4634     -24.6364     
1 1 1 29 7  9  o 0 14.3   9.2   ?    ?   129.122  30.4411      104.31     30.4411      34.2018     30.4411      
1 1 1 29 7  10 o 0 10.9   9.6   ?    ?   75.0006  126.134      86.7452    126.134      45.9315     126.134      
1 1 1 29 7  11 o 0 28     11.6  ?    ?   274.032  -70.7325     117.864    -70.7325     31.5196     109.267      
1 1 1 29 8  0  o 0 -17.2  12.7  ?    ?   61.8968  -90          10.9375    -90          24.2736     90           
1 1 1 29 8  1  o 0 15.4   10.4  ?    ?   198.337  66.5708      67.5061    66.5708      46.1472     -113.429     
1 1 1 29 8  2  o 0 33.2   13    ?    ?   176.795  -100.839     167.118    -100.839     65.1289     -100.839     
1 1 1 29 8  3  o 0 7      10.2  ?    ?   258.999  -28.0665     2.12105    151.934      152.444     151.934      
1 1 1 29 8  4  f 1 12.4   11.5  ?    ?   78.2798  -177.817     77.8352    -177.817     32.2683     -177.817     
1 1 1 29 8  6  o 0 27.6   12.1  ?    ?   167.813  117.26       161.468    117.26       71.6838     117.26       
1 1 1 29 8  7  o 0 55     11.1  ?    ?   450.694  -104.823     177.883    -104.823     64.1836     75.1772      
1 1 1 29 8  8  o 0 8.9    8.6   ?    ?   70.9357  -139.864     72.469     -139.864     34.2419     -139.864     
1 1 1 29 8  9  o 0 1.1    9.9   ?    ?   175.887  -118.348     26.9332    -118.348     68.1211     61.6519      
1 1 1 29 8  10 < 0 13.5   9.9   ?    ?   ?        ?            ?          ?            ?           ?            
1 1 1 29 9  0  o 0 11.6   14.1  ?    ?   103.849  -90          53.6094    -90          5.11027     90           
1 1 1 29 9  1  o 0 19.2   12.9  ?    ?   150.622  -71.2846     101.527    -71.2846     15.7307     -71.2846     
1 1 1 29 9  2  o 0 7.3    10.8  ?    ?   144.32   -23.6763     48.6107    -23.6763     34.1541     156.324      
1 1 1 29 9  3  o 0 26.1   14.5  ?    ?   210.891  125.659      122.136    125.659      11.6111     125.659      
1 1 1 29 9  4  o 0 12.8   11.2  ?    ?   153.951  -134.941     86.303     -134.941     5.16647     -134.941     
1 1 1 29 9  5  o 0 -1.3   10.6  ?    ?   135.825  -26.0941     36.3953    -26.0941     35.55       153.906      
1 1 1 29 9  6  o 0 0.8    9.4   ?    ?   142.557  -124.249     34.0753    -124.249     41.7764     55.7512      
1 1 1 29 9  7  o 0 12.3   8.9   ?    ?   256.673  90.3517      38.4061    90.3517      98.7069     -89.6483     
1 1 1 29 9  8  o 0 -17    10.8  ?    ?   20.8869  -62.7988     5.7803     -62.7988     5.41592     117.201      
1 1 1 29 10 0  o 0 -11.2  15.6  ?    ?   2.30421  -90          0.812005   -90          0.363439    90           
1 1 1 29 10 1  o 0 -7.3   13.4  ?    ?   20.9674  1.14244      16.2942    1.14244      5.51805     1.14244      
1 1 1 29 10 2  o 0 14.2   12.1  ?    ?   226.574  139.356      59.9649    139.356      57.2843     -40.6441     
1 1 1 29 10 3  o 0 8      11.1  ?    ?   115.229  176.502      73.1721    176.502      13.1671     176.502      
1 1 1 29 10 4  o 0 12     10.4  ?    ?   106.395  -48.9834     91.7128    -48.9834     35.991      -48.9834     
1 1 1 29 10 5  o 0 9.8    11.2  ?    ?   70.3399  134.738      80.4932    134.738      43.4644     134.738      
1 1 1 29 10 6  f 1 1      8.6   ?    ?   8.44099  126.39       6.38756    126.39       1.93496     126.39       
1 1 1 29 11 1  o 0 4.6    10.5  ?    ?   148.502  138.629      49.7764    138.629      26.0004     -41.3707     
1 1 1 30 0  0  o 0 6.8    21.9  ?    ?   184.101  1.73787e-14  48.8973    0            55.7175     -180         
1 1 1 30 0  1  f 1 11.7   14.9  ?    ?   69.9166  -90          41.508     -90          1.5716      -90          
1 1 1 30 0  3  f 1 28.4   13.9  ?    ?   173.703  90           122.17     90           21.5916     90           
1 1 1 30 0  4  f 1 -1.8   12.5  ?    ?   118.126  180          32.9185    180          35.8825     6.43712e-15  
1 1 1 30 0  5  f 1 4.2    13.1  ?    ?   128.254  90           52.2044    90           15.9996     -90          
1 1 1 30 0  6  o 0 35.3   14.9  ?    ?   155.398  0            143.569    0            60.3272     0            
1 1 1 30 0  7  o 0 -9.7   14.7  ?    ?   119.547  -90          35.3002    -90          29.0008     90           
1 1 1 30 1  1  o 0 18.5   10.1  ?    ?   205.266  -157.668     82.2411    -157.668     35.2908     22.3322      
1 1 1 30 1  2  o 0 -6     8.2   ?    ?   24.1739  19.8152      2.15306    19.8152      11.7874     -160.185     
1 1 1 30 1  3  o 0 15.3   10.8  ?    ?   66.3459  150.965      85.9821    150.965      47.4733     150.965      
1 1 1 30 1  4  f 1 9.2    9.8   ?    ?   92.2989  75.7886      62.3058    75.7886      8.55586     75.7886      
1 1 1 30 1  5  o 0 6.4    9.6   ?    ?   161.21   39.1922      52.8263    39.1922      33.1116     -140.808     
1 1 1 30 1  6  o 0 -5.6   10.1  ?    ?   58.7516  -129.84      26.4017    -129.84      5.06526     50.1596      
1 1 1 30 1  7  o 0 16.3   10.8  ?    ?   106.268  -113.982     116.848    -113.982     59.6959     -113.982     
1 1 1 30 1  8  o 0 -13.3  10.7  ?    ?   122.925  114.095      12.489     114.095      53.8587     -65.9055     
1 1 1 30 1  9  o 0 -12.4  15.1  ?    ?   167.483  -9.72759     25.8247    -9.72759     64.8481     170.272      
1 1 1 30 2  0  o 0 17.8   13.7  ?    ?   354.476  180          89.9108    180          111.303     -6.59253e-15 
1 1 1 30 2  1  o 0 41.6   9.6   ?    ?   305.325  147.815      173.156    147.815      1.50671     -32.1854     
1 1 1 30 2  2  o 0 29.4   9.8   ?    ?   220.062  36.5332      145.017    36.5332      18.2311     36.5332      
1 1 1 30 2  3  o 0 5.7    11    ?    ?   29.2898  -166.151     25.2092    -166.151     8.22412     -166.151     
1 1 1 30 2  4  o 0 52.9   10    ?    ?   198.838  109.532      296.279    109.532      190.936     109.532      
1 1 1 30 2  5  o 0 20.1   9.4   ?    ?   252.871  -96.1786     89.0849    -96.1786     45.5973     83.8214      
1 1 1 30 2  6  o 0 2.5    12    ?    ?   70.988   78.3684      58.7069    78.3684      20.7187     78.3684      
1 1 1 30 2  7  o 0 -4.8   11    ?    ?   53.2378  -110.36      30.1856    -110.36      1.57724     -110.36      
1 1 1 30 2  8  o 0 47.8   11.9  ?    ?   276.664  18.7232      228.682    18.7232      79.4721     18.7232      
1 1 1 30 2  9  < 0 10.4   12.1  ?    ?   ?        ?            ?          ?            ?           ?            
1 1 1 30 3  0  o 0 -10.4  13.9  ?    ?   109.789  -180         24.8471    180          37.3682     2.84925e-13  
1 1 1 30 3  1  o 0 26.6   9.9   ?    ?   228.846  138.035      121.458    138.035      9.2351      -41.9653     
1 1 1 30 3  2  o 0 2.4    9.3   ?    ?   118.296  122.519      29.006     122.519      39.0357     -57.4813     
1 1 1 30 3  3  o 0 5      9.5   ?    ?   158.372  -94.0383     46.9268    -94.0383     36.3479     85.9617      
1 1 1 30 3  4  o 0 31.6   11    ?    ?   95.5642  -65.8465     208.648    -65.8465     158.1       -65.8465     
1 1 1 30 3  5  o 0 20.8   12.9  ?    ?   50.6937  -49.2296     118.163    -49.2296     91.2061     -49.2296     
1 1 1 30 3  6  o 0 -3.3   12.2  ?    ?   73.8394  170.962      44.5432    170.962      5.09028     170.962      
1 1 1 30 3  7  o 0 16     10.2  ?    ?   146.509  -33.2349     105.719    -33.2349     27.1078     -33.2349     
1 1 1 30 3  8  o 0 -11.1  12    ?    ?   106.677  162.402      27.973     162.402      29.4754     -17.5977     
1 1 1 30 4  0  o 0 8.2    13    ?    ?   104.505  -180         52.8064    180          0.849666    6.28501e-12  
1 1 1 30 4  1  o 0 -4     9.6   ?    ?   144.339  -84.5346     20.4731    -84.5346     54.2142     95.4654      
1 1 1 30 4  2  o 0 -13.4  10.6  ?    ?   53.7361  114.657      15.2344    114.657      12.7707     -65.3431     
1 1 1 30 4  3  o 0 1.9    10    ?    ?   116.23   -49.4898     47.8263    -49.4898     13.1463     130.51       
1 1 1 30 4  4  o 0 7.1    10.6  ?    ?   181.464  76.0217      49.3298    76.0217      46.4323     -103.978     
1 1 1 30 4  5  o 0 12.1   10.6  ?    ?   299.842  116.801      16.5687    116.801      142.517     -63.1985     
1 1 1 30 4  6  o 0 15.4   11.1  ?    ?   136.676  -173.021     103.946    -173.021     31.0813     -173.021     
1 1 1 30 4  7  o 0 8.9    12    ?    ?   54.4949  111.557      71.892     111.557      42.7156     111.557      
1 1 1 30 5  0  o 0 66.9   16.5  ?    ?   457.897  180          217.976    180          16.3858     -8.43492e-13 
1 1 1 30 5  1  o 0 17.3   12.7  ?    ?   254.401  33.0023      61.6131    33.0023      69.6161     -146.998     
1 1 1 30 5  2  o 0 6.9    12.4  ?    ?   34.3383  94.2728      46.7069    94.2728      28.866      94.2728      
1 1 1 30 5  3  o 0 16.9   11.2  ?    ?   103.733  83.5213      116.481    83.5213      62.2288     83.5213      
1 1 1 30 5  4  o 0 2.4    12.3  ?    ?   85.4621  100.465      60.2943    100.465      15.3285     100.465      
1 1 1 30 5  5  o 0 1.7    11.6  ?    ?   198.633  -54.7191     26.9566    -54.7192     78.1229     125.281      
1 1 1 30 5  6  o 0 -8.1   11    ?    ?   108.009  -138.525     27.4849    -138.525     29.932      41.4754      
1 1 1 30 6  1  o 0 29.8   12.2  ?    ?   270.267  30.1759      117.943    30.1759      20.9436     -149.824     
1 1 1 30 6  2  o 0 29.1   11.6  ?    ?   208.082  -102.478     147.027    -102.478     39.3194     -102.478     
1 1 1 30 6  3  o 0 23.2   13    ?    ?   124.631  -2.26358     140.571    -2.26358     75.6291     -2.26358     
1 1 1 30 6  4  o 0 32.9   10.5  ?    ?   224.867  -102.949     172.343    -102.949     54.4586     -102.949     
1 1 1 30 6  5  o 0 29.8   12.1  ?    ?   236.138  74.557       139.153    74.557       14.6776     74.557       
1 1 1 30 7  1  o 0 26     11.6  ?    ?   242.068  -159.947     114.024    -159.947     9.81798     20.0533      
1 1 1 30 7  2  < 0 3.3    12.7  ?    ?   ?        ?            ?          ?            ?           ?            
1 1 1 0  0  2  x 0 ?      ?     ?    ?   ?        ?            114.038    180          ?           ?            
1 1 1 0  0  4  x 0 ?      ?     ?    ?   ?        ?            48.0848    180          ?           ?            
1 1 1 0  1  1  x 0 ?      ?     ?    ?   ?        ?            441.733    -90          ?           ?            
1 1 1 0  2  0  x 0 ?      ?     ?    ?   ?        ?            127.595    1.95036e-12  ?           ?            
1 1 1 0  3  1  x 0 ?      ?     ?    ?   ?        ?            148.504    90           ?           ?            
1 1 1 0  3  26 x 0 ?      ?     ?    ?   ?        ?            955.246    -90          ?           ?            
1 1 1 0  3  30 x 0 ?      ?     ?    ?   ?        ?            649.016    -90          ?           ?            
1 1 1 0  4  0  x 0 ?      ?     ?    ?   ?        ?            983.461    -180         ?           ?            
1 1 1 0  4  9  x 0 ?      ?     ?    ?   ?        ?            2314.9     180          ?           ?            
1 1 1 0  4  43 x 0 ?      ?     ?    ?   ?        ?            145.613    180          ?           ?            
1 1 1 0  5  17 x 0 ?      ?     ?    ?   ?        ?            1053.1     90           ?           ?            
1 1 1 0  5  35 x 0 ?      ?     ?    ?   ?        ?            534.39     -90          ?           ?            
1 1 1 0  5  43 x 0 ?      ?     ?    ?   ?        ?            334.607    90           ?           ?            
1 1 1 0  6  0  x 0 ?      ?     ?    ?   ?        ?            2269.67    6.61727e-14  ?           ?            
1 1 1 0  6  27 x 0 ?      ?     ?    ?   ?        ?            880.173    0            ?           ?            
1 1 1 0  6  29 x 0 ?      ?     ?    ?   ?        ?            915.722    4.52058e-16  ?           ?            
1 1 1 0  6  35 x 0 ?      ?     ?    ?   ?        ?            920.08     180          ?           ?            
1 1 1 0  6  43 x 0 ?      ?     ?    ?   ?        ?            14.6285    -180         ?           ?            
1 1 1 0  7  13 x 0 ?      ?     ?    ?   ?        ?            1148.4     90           ?           ?            
1 1 1 0  7  31 x 0 ?      ?     ?    ?   ?        ?            825.079    -90          ?           ?            
1 1 1 0  8  36 x 0 ?      ?     ?    ?   ?        ?            26.8425    0            ?           ?            
1 1 1 0  9  17 x 0 ?      ?     ?    ?   ?        ?            988.53     -90          ?           ?            
1 1 1 0  9  22 x 0 ?      ?     ?    ?   ?        ?            1635.19    -90          ?           ?            
1 1 1 0  9  34 x 0 ?      ?     ?    ?   ?        ?            529.252    90           ?           ?            
1 1 1 0  9  35 x 0 ?      ?     ?    ?   ?        ?            440.817    -90          ?           ?            
1 1 1 0  9  42 x 0 ?      ?     ?    ?   ?        ?            272.237    -90          ?           ?            
1 1 1 0  10 18 x 0 ?      ?     ?    ?   ?        ?            1313.78    180          ?           ?            
1 1 1 0  13 39 x 0 ?      ?     ?    ?   ?        ?            10.9392    -90          ?           ?            
1 1 1 0  15 18 x 0 ?      ?     ?    ?   ?        ?            918.617    90           ?           ?            
1 1 1 0  15 30 x 0 ?      ?     ?    ?   ?        ?            292.92     90           ?           ?            
1 1 1 0  17 19 x 0 ?      ?     ?    ?   ?        ?            258.941    -90          ?           ?            
1 1 1 0  17 30 x 0 ?      ?     ?    ?   ?        ?            590.811    -90          ?           ?            
1 1 1 0  18 4  x 0 ?      ?     ?    ?   ?        ?            915.66     180          ?           ?            
1 1 1 0  18 5  x 0 ?      ?     ?    ?   ?        ?            497.087    0            ?           ?            
1 1 1 0  20 0  x 0 ?      ?     ?    ?   ?        ?            1096.87    180          ?           ?            
1 1 1 0  20 8  x 0 ?      ?     ?    ?   ?        ?            1275.28    0            ?           ?            
1 1 1 0  20 14 x 0 ?      ?     ?    ?   ?        ?            834.816    0            ?           ?            
1 1 1 0  21 34 x 0 ?      ?     ?    ?   ?        ?            318.125    90           ?           ?            
1 1 1 0  22 18 x 0 ?      ?     ?    ?   ?        ?            544.73     180          ?           ?            
1 1 1 0  25 22 x 0 ?      ?     ?    ?   ?        ?            521.561    -90          ?           ?            
1 1 1 0  26 20 x 0 ?      ?     ?    ?   ?        ?            54.2189    180          ?           ?            
1 1 1 0  26 21 x 0 ?      ?     ?    ?   ?        ?            659.608    180          ?           ?            
1 1 1 0  27 22 x 0 ?      ?     ?    ?   ?        ?            517.861    90           ?           ?            
1 1 1 0  27 26 x 0 ?      ?     ?    ?   ?        ?            141.612    -90          ?           ?            
1 1 1 0  28 0  x 0 ?      ?     ?    ?   ?        ?            884.714    -180         ?           ?            
1 1 1 0  29 9  x 0 ?      ?     ?    ?   ?        ?            316.875    -90          ?           ?            
1 1 1 0  30 0  x 0 ?      ?     ?    ?   ?        ?            762.708    -6.84829e-14 ?           ?            
1 1 1 0  30 9  x 0 ?      ?     ?    ?   ?        ?            513.803    -1.01939e-15 ?           ?            
1 1 1 0  30 10 x 0 ?      ?     ?    ?   ?        ?            167.179    180          ?           ?            
1 1 1 0  30 11 x 0 ?      ?     ?    ?   ?        ?            52.7761    -1.14078e-15 ?           ?            
1 1 1 0  30 12 x 0 ?      ?     ?    ?   ?        ?            185.128    180          ?           ?            
1 1 1 0  31 2  x 0 ?      ?     ?    ?   ?        ?            147.602    -90          ?           ?            
1 1 1 0  31 5  x 0 ?      ?     ?    ?   ?        ?            255.174    90           ?           ?            
1 1 1 0  31 6  x 0 ?      ?     ?    ?   ?        ?            139.217    -90          ?           ?            
1 1 1 0  31 7  x 0 ?      ?     ?    ?   ?        ?            33.222     -90          ?           ?            
1 1 1 0  31 9  x 0 ?      ?     ?    ?   ?        ?            307.952    90           ?           ?            
1 1 1 0  31 10 x 0 ?      ?     ?    ?   ?        ?            0.643618   90           ?           ?            
1 1 1 0  31 17 x 0 ?      ?     ?    ?   ?        ?            54.726     -90          ?           ?            
1 1 1 0  32 2  x 0 ?      ?     ?    ?   ?        ?            153.424    180          ?           ?            
1 1 1 0  32 5  x 0 ?      ?     ?    ?   ?        ?            33.5835    -180         ?           ?            
1 1 1 0  32 6  x 0 ?      ?     ?    ?   ?        ?            45.5887    180          ?           ?            
1 1 1 0  32 7  x 0 ?      ?     ?    ?   ?        ?            80.2079    180          ?           ?            
1 1 1 0  32 8  x 0 ?      ?     ?    ?   ?        ?            102.077    180          ?           ?            
1 1 1 0  32 12 x 0 ?      ?     ?    ?   ?        ?            297.188    0            ?           ?            
1 1 1 0  33 4  x 0 ?      ?     ?    ?   ?        ?            227.756    -90          ?           ?            
1 1 1 0  33 5  x 0 ?      ?     ?    ?   ?        ?            30.0782    90           ?           ?            
1 1 1 0  33 6  x 0 ?      ?     ?    ?   ?        ?            18.373     90           ?           ?            
1 1 1 0  33 7  x 0 ?      ?     ?    ?   ?        ?            17.1467    90           ?           ?            
1 1 1 0  33 8  x 0 ?      ?     ?    ?   ?        ?            292.186    -90          ?           ?            
1 1 1 1  0  1  x 0 ?      ?     ?    ?   ?        ?            343.493    -90          ?           ?            
1 1 1 1  0  11 x 0 ?      ?     ?    ?   ?        ?            1171.59    -90          ?           ?            
1 1 1 1  1  0  x 0 ?      ?     ?    ?   ?        ?            173.008    90           ?           ?            
1 1 1 1  1  1  x 0 ?      ?     ?    ?   ?        ?            591.119    -144.349     ?           ?            
1 1 1 1  1  11 x 0 ?      ?     ?    ?   ?        ?            1382.85    -67.8587     ?           ?            
1 1 1 1  3  0  x 0 ?      ?     ?    ?   ?        ?            312.122    -90          ?           ?            
1 1 1 1  3  11 x 0 ?      ?     ?    ?   ?        ?            1307.89    110.663      ?           ?            
1 1 1 1  6  29 x 0 ?      ?     ?    ?   ?        ?            931.465    165.597      ?           ?            
1 1 1 1  6  43 x 0 ?      ?     ?    ?   ?        ?            91.271     -28.1117     ?           ?            
1 1 1 1  9  37 x 0 ?      ?     ?    ?   ?        ?            306.01     88.3689      ?           ?            
1 1 1 1  27 24 x 0 ?      ?     ?    ?   ?        ?            372.997    -102.433     ?           ?            
1 1 1 1  30 7  x 0 ?      ?     ?    ?   ?        ?            268.956    19.1908      ?           ?            
1 1 1 1  31 17 x 0 ?      ?     ?    ?   ?        ?            70.2955    -119.172     ?           ?            
1 1 1 1  32 12 x 0 ?      ?     ?    ?   ?        ?            203.255    167.551      ?           ?            
1 1 1 1  33 6  x 0 ?      ?     ?    ?   ?        ?            249.679    2.06969      ?           ?            
1 1 1 2  0  2  x 0 ?      ?     ?    ?   ?        ?            33.1853    180          ?           ?            
1 1 1 2  0  31 x 0 ?      ?     ?    ?   ?        ?            929.386    90           ?           ?            
1 1 1 2  1  0  x 0 ?      ?     ?    ?   ?        ?            254.736    -180         ?           ?            
1 1 1 2  2  0  x 0 ?      ?     ?    ?   ?        ?            102.102    180          ?           ?            
1 1 1 2  2  9  x 0 ?      ?     ?    ?   ?        ?            1402.08    -87.0809     ?           ?            
1 1 1 2  4  18 x 0 ?      ?     ?    ?   ?        ?            1121.05    57.3109      ?           ?            
1 1 1 2  8  5  x 0 ?      ?     ?    ?   ?        ?            1263.53    -106.698     ?           ?            
1 1 1 2  8  31 x 0 ?      ?     ?    ?   ?        ?            836.638    139.04       ?           ?            
1 1 1 2  9  4  x 0 ?      ?     ?    ?   ?        ?            1223.71    43.8214      ?           ?            
1 1 1 2  11 0  x 0 ?      ?     ?    ?   ?        ?            1455.62    180          ?           ?            
1 1 1 2  16 0  x 0 ?      ?     ?    ?   ?        ?            1223.28    180          ?           ?            
1 1 1 2  23 17 x 0 ?      ?     ?    ?   ?        ?            776.743    -24.3597     ?           ?            
1 1 1 2  29 22 x 0 ?      ?     ?    ?   ?        ?            112.516    110.344      ?           ?            
1 1 1 2  30 8  x 0 ?      ?     ?    ?   ?        ?            412.422    23.8743      ?           ?            
1 1 1 2  33 4  x 0 ?      ?     ?    ?   ?        ?            268.173    33.1667      ?           ?            
1 1 1 3  3  7  x 0 ?      ?     ?    ?   ?        ?            2002.46    -14.9954     ?           ?            
1 1 1 3  5  43 x 0 ?      ?     ?    ?   ?        ?            14.0276    -97.7905     ?           ?            
1 1 1 3  14 11 x 0 ?      ?     ?    ?   ?        ?            813.294    -31.9286     ?           ?            
1 1 1 3  20 7  x 0 ?      ?     ?    ?   ?        ?            1360.65    124.413      ?           ?            
1 1 1 3  20 33 x 0 ?      ?     ?    ?   ?        ?            308.327    71.1123      ?           ?            
1 1 1 3  23 28 x 0 ?      ?     ?    ?   ?        ?            404.354    30.5786      ?           ?            
1 1 1 3  26 24 x 0 ?      ?     ?    ?   ?        ?            362.104    79.4681      ?           ?            
1 1 1 3  29 10 x 0 ?      ?     ?    ?   ?        ?            512.923    33.8659      ?           ?            
1 1 1 3  30 11 x 0 ?      ?     ?    ?   ?        ?            401.829    -41.1678     ?           ?            
1 1 1 4  4  9  x 0 ?      ?     ?    ?   ?        ?            1257.18    -169.779     ?           ?            
1 1 1 4  6  0  x 0 ?      ?     ?    ?   ?        ?            645.172    180          ?           ?            
1 1 1 4  9  0  x 0 ?      ?     ?    ?   ?        ?            1235.6     180          ?           ?            
1 1 1 4  10 0  x 0 ?      ?     ?    ?   ?        ?            1073.77    -3.41392e-14 ?           ?            
1 1 1 4  11 22 x 0 ?      ?     ?    ?   ?        ?            842.053    105.792      ?           ?            
1 1 1 4  12 13 x 0 ?      ?     ?    ?   ?        ?            1145.34    -150.405     ?           ?            
1 1 1 4  16 0  x 0 ?      ?     ?    ?   ?        ?            1787.06    180          ?           ?            
1 1 1 4  18 0  x 0 ?      ?     ?    ?   ?        ?            1193.41    -1.43722e-14 ?           ?            
1 1 1 4  19 35 x 0 ?      ?     ?    ?   ?        ?            266.622    1.68196      ?           ?            
1 1 1 4  23 27 x 0 ?      ?     ?    ?   ?        ?            299.504    -131.521     ?           ?            
1 1 1 4  30 0  x 0 ?      ?     ?    ?   ?        ?            453.622    -9.15702e-15 ?           ?            
1 1 1 4  30 11 x 0 ?      ?     ?    ?   ?        ?            30.4886    9.16698      ?           ?            
1 1 1 4  30 19 x 0 ?      ?     ?    ?   ?        ?            33.4103    -120.319     ?           ?            
1 1 1 4  31 13 x 0 ?      ?     ?    ?   ?        ?            227.934    6.18495      ?           ?            
1 1 1 4  32 0  x 0 ?      ?     ?    ?   ?        ?            172.9      180          ?           ?            
1 1 1 5  0  6  x 0 ?      ?     ?    ?   ?        ?            1538.51    180          ?           ?            
1 1 1 5  0  20 x 0 ?      ?     ?    ?   ?        ?            853.108    -5.10021e-15 ?           ?            
1 1 1 5  9  2  x 0 ?      ?     ?    ?   ?        ?            973.078    -10.1337     ?           ?            
1 1 1 5  12 2  x 0 ?      ?     ?    ?   ?        ?            1581.8     -135.098     ?           ?            
1 1 1 5  14 11 x 0 ?      ?     ?    ?   ?        ?            1068.22    47.4892      ?           ?            
1 1 1 5  20 15 x 0 ?      ?     ?    ?   ?        ?            721.819    61.9944      ?           ?            
1 1 1 5  28 20 x 0 ?      ?     ?    ?   ?        ?            343.01     150.515      ?           ?            
1 1 1 5  29 21 x 0 ?      ?     ?    ?   ?        ?            47.0832    -70.1361     ?           ?            
1 1 1 5  31 3  x 0 ?      ?     ?    ?   ?        ?            300.164    81.0835      ?           ?            
1 1 1 5  33 5  x 0 ?      ?     ?    ?   ?        ?            135.578    -77.2089     ?           ?            
1 1 1 6  0  4  x 0 ?      ?     ?    ?   ?        ?            1831.01    -180         ?           ?            
1 1 1 6  0  13 x 0 ?      ?     ?    ?   ?        ?            977.585    90           ?           ?            
1 1 1 6  1  22 x 0 ?      ?     ?    ?   ?        ?            1133.86    -29.7928     ?           ?            
1 1 1 6  6  0  x 0 ?      ?     ?    ?   ?        ?            1128.46    -1.18378e-14 ?           ?            
1 1 1 6  9  18 x 0 ?      ?     ?    ?   ?        ?            1476.46    137.07       ?           ?            
1 1 1 6  11 0  x 0 ?      ?     ?    ?   ?        ?            787.122    180          ?           ?            
1 1 1 6  12 13 x 0 ?      ?     ?    ?   ?        ?            1080.01    -90.4077     ?           ?            
1 1 1 6  14 13 x 0 ?      ?     ?    ?   ?        ?            1182       144.262      ?           ?            
1 1 1 6  15 0  x 0 ?      ?     ?    ?   ?        ?            646.484    -3.25745e-14 ?           ?            
1 1 1 6  16 0  x 0 ?      ?     ?    ?   ?        ?            1440.15    -1.06568e-14 ?           ?            
1 1 1 6  18 18 x 0 ?      ?     ?    ?   ?        ?            755.426    127.472      ?           ?            
1 1 1 6  20 13 x 0 ?      ?     ?    ?   ?        ?            680.427    111.777      ?           ?            
1 1 1 6  25 28 x 0 ?      ?     ?    ?   ?        ?            60.2881    83.6744      ?           ?            
1 1 1 6  26 22 x 0 ?      ?     ?    ?   ?        ?            212.638    150.095      ?           ?            
1 1 1 6  29 0  x 0 ?      ?     ?    ?   ?        ?            310.076    -3.36994e-14 ?           ?            
1 1 1 6  29 9  x 0 ?      ?     ?    ?   ?        ?            399.635    -20.8489     ?           ?            
1 1 1 6  30 0  x 0 ?      ?     ?    ?   ?        ?            91.572     -180         ?           ?            
1 1 1 6  32 4  x 0 ?      ?     ?    ?   ?        ?            272.71     -106.132     ?           ?            
1 1 1 6  33 1  x 0 ?      ?     ?    ?   ?        ?            47.9237    5.75778      ?           ?            
1 1 1 7  0  2  x 0 ?      ?     ?    ?   ?        ?            617.658    180          ?           ?            
1 1 1 7  0  20 x 0 ?      ?     ?    ?   ?        ?            757.537    180          ?           ?            
1 1 1 7  1  6  x 0 ?      ?     ?    ?   ?        ?            1832.24    -18.9268     ?           ?            
1 1 1 7  3  6  x 0 ?      ?     ?    ?   ?        ?            1699.79    103.945      ?           ?            
1 1 1 7  4  6  x 0 ?      ?     ?    ?   ?        ?            1119.05    -123.99      ?           ?            
1 1 1 7  4  7  x 0 ?      ?     ?    ?   ?        ?            1272.84    -116.858     ?           ?            
1 1 1 7  24 2  x 0 ?      ?     ?    ?   ?        ?            641.828    -132.442     ?           ?            
1 1 1 7  24 29 x 0 ?      ?     ?    ?   ?        ?            112.068    14.0993      ?           ?            
1 1 1 7  29 0  x 0 ?      ?     ?    ?   ?        ?            71.1112    90           ?           ?            
1 1 1 7  30 7  x 0 ?      ?     ?    ?   ?        ?            428.786    -34.7399     ?           ?            
1 1 1 8  0  0  x 0 ?      ?     ?    ?   ?        ?            2536.5     -8.207e-15   ?           ?            
1 1 1 8  0  9  x 0 ?      ?     ?    ?   ?        ?            1586.81    -90          ?           ?            
1 1 1 8  1  0  x 0 ?      ?     ?    ?   ?        ?            1517.84    180          ?           ?            
1 1 1 8  2  0  x 0 ?      ?     ?    ?   ?        ?            1178.73    180          ?           ?            
1 1 1 8  4  0  x 0 ?      ?     ?    ?   ?        ?            1394.58    -4.04557e-14 ?           ?            
1 1 1 8  4  4  x 0 ?      ?     ?    ?   ?        ?            1048.13    113.112      ?           ?            
1 1 1 8  8  0  x 0 ?      ?     ?    ?   ?        ?            1445.17    -2.23105e-14 ?           ?            
1 1 1 8  10 17 x 0 ?      ?     ?    ?   ?        ?            982.574    -105.751     ?           ?            
1 1 1 8  10 18 x 0 ?      ?     ?    ?   ?        ?            1278.47    -118.851     ?           ?            
1 1 1 8  14 30 x 0 ?      ?     ?    ?   ?        ?            706.583    -52.5496     ?           ?            
1 1 1 8  15 8  x 0 ?      ?     ?    ?   ?        ?            1289.46    -21.6465     ?           ?            
1 1 1 8  15 9  x 0 ?      ?     ?    ?   ?        ?            1490.93    40.5157      ?           ?            
1 1 1 8  21 0  x 0 ?      ?     ?    ?   ?        ?            858.33     180          ?           ?            
1 1 1 8  25 22 x 0 ?      ?     ?    ?   ?        ?            438.062    -98.3878     ?           ?            
1 1 1 8  28 0  x 0 ?      ?     ?    ?   ?        ?            207.36     -1.20403e-13 ?           ?            
1 1 1 8  30 0  x 0 ?      ?     ?    ?   ?        ?            31.6175    -1.29185e-14 ?           ?            
1 1 1 8  30 9  x 0 ?      ?     ?    ?   ?        ?            277.499    137.679      ?           ?            
1 1 1 8  32 1  x 0 ?      ?     ?    ?   ?        ?            288.449    7.89378      ?           ?            
1 1 1 9  0  2  x 0 ?      ?     ?    ?   ?        ?            1864.25    180          ?           ?            
1 1 1 9  0  19 x 0 ?      ?     ?    ?   ?        ?            862.991    90           ?           ?            
1 1 1 9  1  15 x 0 ?      ?     ?    ?   ?        ?            753.429    138.022      ?           ?            
1 1 1 9  1  33 x 0 ?      ?     ?    ?   ?        ?            726.854    102.73       ?           ?            
1 1 1 9  4  24 x 0 ?      ?     ?    ?   ?        ?            1284.96    -161.834     ?           ?            
1 1 1 9  13 7  x 0 ?      ?     ?    ?   ?        ?            784.252    128.241      ?           ?            
1 1 1 9  27 20 x 0 ?      ?     ?    ?   ?        ?            366.235    144.318      ?           ?            
1 1 1 9  30 0  x 0 ?      ?     ?    ?   ?        ?            52.0792    90           ?           ?            
1 1 1 9  30 9  x 0 ?      ?     ?    ?   ?        ?            44.2695    -177.1       ?           ?            
1 1 1 10 0  17 x 0 ?      ?     ?    ?   ?        ?            1209.64    90           ?           ?            
1 1 1 10 2  0  x 0 ?      ?     ?    ?   ?        ?            1366.57    180          ?           ?            
1 1 1 10 4  41 x 0 ?      ?     ?    ?   ?        ?            70.234     133.594      ?           ?            
1 1 1 10 8  40 x 0 ?      ?     ?    ?   ?        ?            32.6803    -16.2854     ?           ?            
1 1 1 10 12 9  x 0 ?      ?     ?    ?   ?        ?            768.355    123.468      ?           ?            
1 1 1 10 14 0  x 0 ?      ?     ?    ?   ?        ?            806.217    -6.10928e-15 ?           ?            
1 1 1 10 15 4  x 0 ?      ?     ?    ?   ?        ?            1896.15    -71.0035     ?           ?            
1 1 1 10 16 0  x 0 ?      ?     ?    ?   ?        ?            1030.51    180          ?           ?            
1 1 1 10 23 4  x 0 ?      ?     ?    ?   ?        ?            696.535    -56.3029     ?           ?            
1 1 1 10 24 0  x 0 ?      ?     ?    ?   ?        ?            528.233    180          ?           ?            
1 1 1 10 25 0  x 0 ?      ?     ?    ?   ?        ?            520.253    180          ?           ?            
1 1 1 10 29 0  x 0 ?      ?     ?    ?   ?        ?            436.785    -180         ?           ?            
1 1 1 10 29 9  x 0 ?      ?     ?    ?   ?        ?            370.62     -7.48241     ?           ?            
1 1 1 10 29 17 x 0 ?      ?     ?    ?   ?        ?            200.939    143.1        ?           ?            
1 1 1 10 30 0  x 0 ?      ?     ?    ?   ?        ?            361.636    180          ?           ?            
1 1 1 10 30 9  x 0 ?      ?     ?    ?   ?        ?            146.086    168.08       ?           ?            
1 1 1 10 31 0  x 0 ?      ?     ?    ?   ?        ?            282.044    180          ?           ?            
1 1 1 11 0  33 x 0 ?      ?     ?    ?   ?        ?            113.992    90           ?           ?            
1 1 1 11 14 3  x 0 ?      ?     ?    ?   ?        ?            1248.03    110.078      ?           ?            
1 1 1 11 14 7  x 0 ?      ?     ?    ?   ?        ?            1319.77    -105.856     ?           ?            
1 1 1 11 27 20 x 0 ?      ?     ?    ?   ?        ?            257.159    -85.308      ?           ?            
1 1 1 11 29 9  x 0 ?      ?     ?    ?   ?        ?            79.3954    29.2031      ?           ?            
1 1 1 11 29 15 x 0 ?      ?     ?    ?   ?        ?            268.223    120.147      ?           ?            
1 1 1 12 0  9  x 0 ?      ?     ?    ?   ?        ?            998.538    90           ?           ?            
1 1 1 12 0  26 x 0 ?      ?     ?    ?   ?        ?            712.004    180          ?           ?            
1 1 1 12 0  30 x 0 ?      ?     ?    ?   ?        ?            747.792    -4.17119e-17 ?           ?            
1 1 1 12 7  9  x 0 ?      ?     ?    ?   ?        ?            1484.44    -97.5176     ?           ?            
1 1 1 12 10 38 x 0 ?      ?     ?    ?   ?        ?            287.684    164.675      ?           ?            
1 1 1 12 11 13 x 0 ?      ?     ?    ?   ?        ?            1187.83    -119.288     ?           ?            
1 1 1 12 12 0  x 0 ?      ?     ?    ?   ?        ?            1401.84    -9.54136e-15 ?           ?            
1 1 1 12 14 0  x 0 ?      ?     ?    ?   ?        ?            1697.53    180          ?           ?            
1 1 1 12 20 26 x 0 ?      ?     ?    ?   ?        ?            377.559    -86.9872     ?           ?            
1 1 1 12 21 22 x 0 ?      ?     ?    ?   ?        ?            418.862    125.682      ?           ?            
1 1 1 12 24 0  x 0 ?      ?     ?    ?   ?        ?            1056.12    180          ?           ?            
1 1 1 12 28 13 x 0 ?      ?     ?    ?   ?        ?            228.51     -25.6979     ?           ?            
1 1 1 12 29 0  x 0 ?      ?     ?    ?   ?        ?            373.866    -2.82358e-14 ?           ?            
1 1 1 12 29 9  x 0 ?      ?     ?    ?   ?        ?            124.255    146.483      ?           ?            
1 1 1 12 31 0  x 0 ?      ?     ?    ?   ?        ?            21.0883    3.14122e-13  ?           ?            
1 1 1 13 0  2  x 0 ?      ?     ?    ?   ?        ?            974.696    180          ?           ?            
1 1 1 13 2  6  x 0 ?      ?     ?    ?   ?        ?            1290.72    -108.733     ?           ?            
1 1 1 13 3  15 x 0 ?      ?     ?    ?   ?        ?            1255.32    68.816       ?           ?            
1 1 1 13 7  20 x 0 ?      ?     ?    ?   ?        ?            1236.96    -135.202     ?           ?            
1 1 1 13 17 32 x 0 ?      ?     ?    ?   ?        ?            278.022    81.2851      ?           ?            
1 1 1 13 23 26 x 0 ?      ?     ?    ?   ?        ?            106.233    179.134      ?           ?            
1 1 1 13 28 15 x 0 ?      ?     ?    ?   ?        ?            281.436    86.3751      ?           ?            
1 1 1 14 0  0  x 0 ?      ?     ?    ?   ?        ?            841.994    180          ?           ?            
1 1 1 14 0  35 x 0 ?      ?     ?    ?   ?        ?            74.881     -90          ?           ?            
1 1 1 14 8  0  x 0 ?      ?     ?    ?   ?        ?            1616.95    -1.99253e-14 ?           ?            
1 1 1 14 10 0  x 0 ?      ?     ?    ?   ?        ?            1105.93    180          ?           ?            
1 1 1 14 12 0  x 0 ?      ?     ?    ?   ?        ?            1326.01    -1.52738e-14 ?           ?            
1 1 1 14 14 0  x 0 ?      ?     ?    ?   ?        ?            676.039    -1.24421e-14 ?           ?            
1 1 1 14 20 26 x 0 ?      ?     ?    ?   ?        ?            305.327    158.179      ?           ?            
1 1 1 14 21 0  x 0 ?      ?     ?    ?   ?        ?            515.758    -2.29723e-14 ?           ?            
1 1 1 14 26 17 x 0 ?      ?     ?    ?   ?        ?            235.394    -74.5996     ?           ?            
1 1 1 14 27 13 x 0 ?      ?     ?    ?   ?        ?            203.162    -149.236     ?           ?            
1 1 1 14 29 0  x 0 ?      ?     ?    ?   ?        ?            97.5916    2.84311e-14  ?           ?            
1 1 1 15 0  36 x 0 ?      ?     ?    ?   ?        ?            255.725    180          ?           ?            
1 1 1 15 0  37 x 0 ?      ?     ?    ?   ?        ?            16.5968    -90          ?           ?            
1 1 1 15 1  11 x 0 ?      ?     ?    ?   ?        ?            1211.27    103.673      ?           ?            
1 1 1 15 2  19 x 0 ?      ?     ?    ?   ?        ?            1184.27    168.139      ?           ?            
1 1 1 15 3  7  x 0 ?      ?     ?    ?   ?        ?            1274.88    -24.646      ?           ?            
1 1 1 15 3  11 x 0 ?      ?     ?    ?   ?        ?            1331.92    -76.5965     ?           ?            
1 1 1 15 8  2  x 0 ?      ?     ?    ?   ?        ?            1080.97    177.022      ?           ?            
1 1 1 15 9  3  x 0 ?      ?     ?    ?   ?        ?            1242.67    26.1653      ?           ?            
1 1 1 15 12 2  x 0 ?      ?     ?    ?   ?        ?            1285.41    -151.53      ?           ?            
1 1 1 15 13 34 x 0 ?      ?     ?    ?   ?        ?            237.06     123.644      ?           ?            
1 1 1 15 24 22 x 0 ?      ?     ?    ?   ?        ?            27.155     158.625      ?           ?            
1 1 1 15 25 2  x 0 ?      ?     ?    ?   ?        ?            413.051    2.29066      ?           ?            
1 1 1 15 27 15 x 0 ?      ?     ?    ?   ?        ?            218.789    20.4951      ?           ?            
1 1 1 15 29 6  x 0 ?      ?     ?    ?   ?        ?            328.984    -135.555     ?           ?            
1 1 1 16 0  37 x 0 ?      ?     ?    ?   ?        ?            216.734    90           ?           ?            
1 1 1 16 1  35 x 0 ?      ?     ?    ?   ?        ?            402.641    -10.3576     ?           ?            
1 1 1 16 12 17 x 0 ?      ?     ?    ?   ?        ?            915.243    -145.792     ?           ?            
1 1 1 16 14 0  x 0 ?      ?     ?    ?   ?        ?            1233.47    -1.55499e-14 ?           ?            
1 1 1 16 16 31 x 0 ?      ?     ?    ?   ?        ?            98.2504    99.5265      ?           ?            
1 1 1 16 18 1  x 0 ?      ?     ?    ?   ?        ?            802.62     168.588      ?           ?            
1 1 1 16 19 28 x 0 ?      ?     ?    ?   ?        ?            104.866    47.4798      ?           ?            
1 1 1 16 22 24 x 0 ?      ?     ?    ?   ?        ?            53.0916    86.1324      ?           ?            
1 1 1 16 23 8  x 0 ?      ?     ?    ?   ?        ?            477.078    9.10831      ?           ?            
1 1 1 16 23 22 x 0 ?      ?     ?    ?   ?        ?            249.258    -174.746     ?           ?            
1 1 1 16 25 0  x 0 ?      ?     ?    ?   ?        ?            658.315    -3.23208e-14 ?           ?            
1 1 1 16 28 5  x 0 ?      ?     ?    ?   ?        ?            167.985    107.538      ?           ?            
1 1 1 17 6  6  x 0 ?      ?     ?    ?   ?        ?            1128.16    3.15317      ?           ?            
1 1 1 17 10 34 x 0 ?      ?     ?    ?   ?        ?            120.808    -43.0116     ?           ?            
1 1 1 17 15 6  x 0 ?      ?     ?    ?   ?        ?            949.036    -74.4447     ?           ?            
1 1 1 17 28 2  x 0 ?      ?     ?    ?   ?        ?            287.251    179.539      ?           ?            
1 1 1 18 8  0  x 0 ?      ?     ?    ?   ?        ?            684.178    -180         ?           ?            
1 1 1 18 10 22 x 0 ?      ?     ?    ?   ?        ?            595.822    155.687      ?           ?            
1 1 1 18 14 0  x 0 ?      ?     ?    ?   ?        ?            664.015    -2.20657e-14 ?           ?            
1 1 1 18 26 4  x 0 ?      ?     ?    ?   ?        ?            266.419    -153.208     ?           ?            
1 1 1 18 27 5  x 0 ?      ?     ?    ?   ?        ?            184.394    108.746      ?           ?            
1 1 1 19 0  20 x 0 ?      ?     ?    ?   ?        ?            613.11     -4.84935e-15 ?           ?            
1 1 1 19 0  34 x 0 ?      ?     ?    ?   ?        ?            42.7098    -2.4796e-14  ?           ?            
1 1 1 19 7  33 x 0 ?      ?     ?    ?   ?        ?            208.526    -79.9327     ?           ?            
1 1 1 19 21 2  x 0 ?      ?     ?    ?   ?        ?            600.695    -0.429405    ?           ?            
1 1 1 20 0  31 x 0 ?      ?     ?    ?   ?        ?            141.808    -90          ?           ?            
1 1 1 20 0  33 x 0 ?      ?     ?    ?   ?        ?            97.8642    90           ?           ?            
1 1 1 20 9  0  x 0 ?      ?     ?    ?   ?        ?            701.323    180          ?           ?            
1 1 1 20 23 13 x 0 ?      ?     ?    ?   ?        ?            225.919    -116.537     ?           ?            
1 1 1 21 0  31 x 0 ?      ?     ?    ?   ?        ?            22.9211    -90          ?           ?            
1 1 1 21 23 3  x 0 ?      ?     ?    ?   ?        ?            234.984    -155.178     ?           ?            
1 1 1 21 23 11 x 0 ?      ?     ?    ?   ?        ?            252.504    -102.097     ?           ?            
1 1 1 22 0  27 x 0 ?      ?     ?    ?   ?        ?            236.11     90           ?           ?            
1 1 1 22 0  30 x 0 ?      ?     ?    ?   ?        ?            58.1963    -2.32749e-15 ?           ?            
1 1 1 22 3  30 x 0 ?      ?     ?    ?   ?        ?            264.178    -14.4715     ?           ?            
1 1 1 22 4  30 x 0 ?      ?     ?    ?   ?        ?            184.646    79.4117      ?           ?            
1 1 1 22 12 0  x 0 ?      ?     ?    ?   ?        ?            782.211    -1.88709e-14 ?           ?            
1 1 1 22 21 0  x 0 ?      ?     ?    ?   ?        ?            403.425    -1.88164e-14 ?           ?            
1 1 1 23 0  11 x 0 ?      ?     ?    ?   ?        ?            664.927    -90          ?           ?            
1 1 1 23 5  28 x 0 ?      ?     ?    ?   ?        ?            218.557    160.508      ?           ?            
1 1 1 24 0  26 x 0 ?      ?     ?    ?   ?        ?            227.398    -1.16023e-16 ?           ?            
1 1 1 24 0  27 x 0 ?      ?     ?    ?   ?        ?            61.3097    -90          ?           ?            
1 1 1 24 5  0  x 0 ?      ?     ?    ?   ?        ?            699.168    -2.36715e-14 ?           ?            
1 1 1 24 8  0  x 0 ?      ?     ?    ?   ?        ?            579.029    -1.57079e-14 ?           ?            
1 1 1 24 14 17 x 0 ?      ?     ?    ?   ?        ?            416.353    38.5792      ?           ?            
1 1 1 24 15 17 x 0 ?      ?     ?    ?   ?        ?            260.963    167.867      ?           ?            
1 1 1 24 18 9  x 0 ?      ?     ?    ?   ?        ?            253.766    14.2585      ?           ?            
1 1 1 25 0  3  x 0 ?      ?     ?    ?   ?        ?            33.7922    -90          ?           ?            
1 1 1 25 0  24 x 0 ?      ?     ?    ?   ?        ?            139.472    -4.2457e-15  ?           ?            
1 1 1 25 0  25 x 0 ?      ?     ?    ?   ?        ?            68.3507    90           ?           ?            
1 1 1 25 6  24 x 0 ?      ?     ?    ?   ?        ?            115.201    -100.178     ?           ?            
1 1 1 26 0  0  x 0 ?      ?     ?    ?   ?        ?            6.96207    -180         ?           ?            
1 1 1 26 0  13 x 0 ?      ?     ?    ?   ?        ?            316.433    -90          ?           ?            
1 1 1 26 0  22 x 0 ?      ?     ?    ?   ?        ?            51.9051    0            ?           ?            
1 1 1 26 0  23 x 0 ?      ?     ?    ?   ?        ?            61.0086    -90          ?           ?            
1 1 1 26 1  23 x 0 ?      ?     ?    ?   ?        ?            110.429    126.948      ?           ?            
1 1 1 26 2  23 x 0 ?      ?     ?    ?   ?        ?            64.5762    -58.3817     ?           ?            
1 1 1 26 12 0  x 0 ?      ?     ?    ?   ?        ?            457.591    -1.71799e-14 ?           ?            
1 1 1 26 15 9  x 0 ?      ?     ?    ?   ?        ?            303.846    -91.7352     ?           ?            
1 1 1 26 16 0  x 0 ?      ?     ?    ?   ?        ?            291.546    180          ?           ?            
1 1 1 26 16 7  x 0 ?      ?     ?    ?   ?        ?            115.248    -11.6088     ?           ?            
1 1 1 26 16 8  x 0 ?      ?     ?    ?   ?        ?            207.219    162.742      ?           ?            
1 1 1 27 0  11 x 0 ?      ?     ?    ?   ?        ?            323.618    -90          ?           ?            
1 1 1 27 0  19 x 0 ?      ?     ?    ?   ?        ?            224.002    -90          ?           ?            
1 1 1 27 0  20 x 0 ?      ?     ?    ?   ?        ?            120.411    180          ?           ?            
1 1 1 27 4  20 x 0 ?      ?     ?    ?   ?        ?            142.824    -47.7848     ?           ?            
1 1 1 27 6  19 x 0 ?      ?     ?    ?   ?        ?            73.0603    -107.42      ?           ?            
1 1 1 27 16 0  x 0 ?      ?     ?    ?   ?        ?            12.0217    90           ?           ?            
1 1 1 28 0  0  x 0 ?      ?     ?    ?   ?        ?            155.007    -1.3606e-14  ?           ?            
1 1 1 28 0  10 x 0 ?      ?     ?    ?   ?        ?            357.952    180          ?           ?            
1 1 1 28 0  12 x 0 ?      ?     ?    ?   ?        ?            437.546    180          ?           ?            
1 1 1 28 0  17 x 0 ?      ?     ?    ?   ?        ?            17.8407    90           ?           ?            
1 1 1 28 7  0  x 0 ?      ?     ?    ?   ?        ?            353.162    4.11578e-14  ?           ?            
1 1 1 28 12 0  x 0 ?      ?     ?    ?   ?        ?            44.9991    1.71735e-13  ?           ?            
1 1 1 28 12 3  x 0 ?      ?     ?    ?   ?        ?            82.2339    9.42941      ?           ?            
1 1 1 28 13 0  x 0 ?      ?     ?    ?   ?        ?            121.954    180          ?           ?            
1 1 1 28 13 3  x 0 ?      ?     ?    ?   ?        ?            145.993    24.6906      ?           ?            
1 1 1 29 0  12 x 0 ?      ?     ?    ?   ?        ?            169.898    -3.30636e-16 ?           ?            
1 1 1 29 0  13 x 0 ?      ?     ?    ?   ?        ?            29.1658    -90          ?           ?            
1 1 1 29 0  14 x 0 ?      ?     ?    ?   ?        ?            201.19     7.2857e-16   ?           ?            
1 1 1 29 7  6  x 0 ?      ?     ?    ?   ?        ?            271.637    -20.1595     ?           ?            
1 1 1 29 8  5  x 0 ?      ?     ?    ?   ?        ?            161.525    8.33028      ?           ?            
1 1 1 29 11 0  x 0 ?      ?     ?    ?   ?        ?            8.61432    90           ?           ?            
1 1 1 30 0  2  x 0 ?      ?     ?    ?   ?        ?            79.8587    180          ?           ?            
1 1 1 30 0  8  x 0 ?      ?     ?    ?   ?        ?            138.136    0            ?           ?            
1 1 1 30 0  9  x 0 ?      ?     ?    ?   ?        ?            192.775    -90          ?           ?            
1 1 1 30 1  0  x 0 ?      ?     ?    ?   ?        ?            125.22     -7.34394e-14 ?           ?            
1 1 1 30 6  0  x 0 ?      ?     ?    ?   ?        ?            121.689    -3.33383e-14 ?           ?            
1 1 1 30 7  0  x 0 ?      ?     ?    ?   ?        ?            22.9029    1.72972e-13  ?           ?            
# 
#END OF REFLECTIONS
